USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1216 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: B 26 ASN :FLIP amide:sc= -0.767 F(o=-1.2,f=-0.3) USER MOD Set 1.2: B 91 ASN :FLIP amide:sc= 0.467 F(o=-1.2,f=-0.3) USER MOD Set 2.1: B 47 CYS SG : rot 77:sc= 0.854 USER MOD Set 2.2: B 55 SER OG : rot -174:sc= -0.913! USER MOD Set 3.1: B 37 SER OG : rot 84:sc= 1.36 USER MOD Set 3.2: B 38 CYS SG : rot 180:sc= 1.08 USER MOD Set 4.1: A 9 LYS NZ :NH3+ -146:sc= -0.418 (180deg=-3.19!) USER MOD Set 4.2: B 75 TYR OH : rot -160:sc= -7.81! USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.352) USER MOD Single : A 7 SER OG : rot 180:sc= 0.193 USER MOD Single : A 15 SER OG : rot 180:sc= -0.106 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 128:sc= -5.33! USER MOD Single : A 26 CYS SG : rot -66:sc= 1.09 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= -0.012 (180deg=-0.0919) USER MOD Single : A 34 CYS SG : rot 179:sc= 0.239 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -82:sc= -2.88! USER MOD Single : A 47 CYS SG : rot 180:sc= -2.01! USER MOD Single : A 49 TYR OH : rot 30:sc= -0.0843 USER MOD Single : A 53 THR OG1 : rot -126:sc= 0.54 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -1.44! USER MOD Single : A 66 ASN :FLIP amide:sc= -0.442! F(o=-1.2,f=-0.44!) USER MOD Single : A 73 THR OG1 : rot 52:sc= 1.11 USER MOD Single : A 76 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.2!) USER MOD Single : A 79 GLN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -144:sc= -0.479 (180deg=-2.72!) USER MOD Single : B 21 CYS SG : rot 61:sc= 1.24 USER MOD Single : B 27 TYR OH : rot 30:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : B 32 HIS : no HE2:sc= -20.8! C(o=-21!,f=-33!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -175:sc= -2.84! (180deg=-2.98!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot -82:sc= -6.46! USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : B 68 THR OG1 : rot -24:sc= 0.685 USER MOD Single : B 78 CYS SG : rot -27:sc= 0.127 USER MOD Single : B 81 SER OG : rot 180:sc= -2.08 USER MOD Single : B 82 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 83 THR OG1 : rot -83:sc= 0.595 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 SER OG : rot -140:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ -144:sc= -0.0929 (180deg=-0.836) USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N PRO A 5 2.641 15.003 2.827 1.00 0.00 N ATOM 79 CA PRO A 5 3.470 13.808 2.537 1.00 0.00 C ATOM 80 C PRO A 5 3.689 13.653 1.031 1.00 0.00 C ATOM 81 O PRO A 5 2.955 14.192 0.226 1.00 0.00 O ATOM 82 CB PRO A 5 2.639 12.653 3.089 1.00 0.00 C ATOM 83 CG PRO A 5 1.229 13.151 3.077 1.00 0.00 C ATOM 84 CD PRO A 5 1.291 14.644 3.278 1.00 0.00 C ATOM 0 HA PRO A 5 4.465 13.862 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.747 11.760 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.955 12.386 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.742 12.908 2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.646 12.679 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.525 15.158 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.133 14.914 4.322 1.00 0.00 H new ATOM 92 N LYS A 6 4.697 12.921 0.646 1.00 0.00 N ATOM 93 CA LYS A 6 4.973 12.727 -0.807 1.00 0.00 C ATOM 94 C LYS A 6 4.429 11.374 -1.272 1.00 0.00 C ATOM 95 O LYS A 6 4.290 10.449 -0.495 1.00 0.00 O ATOM 96 CB LYS A 6 6.498 12.757 -0.925 1.00 0.00 C ATOM 97 CG LYS A 6 6.910 13.808 -1.956 1.00 0.00 C ATOM 98 CD LYS A 6 8.436 13.852 -2.057 1.00 0.00 C ATOM 99 CE LYS A 6 8.994 14.771 -0.968 1.00 0.00 C ATOM 100 NZ LYS A 6 10.446 14.445 -0.893 1.00 0.00 N ATOM 0 H LYS A 6 5.344 12.447 1.276 1.00 0.00 H new ATOM 0 HA LYS A 6 4.499 13.490 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.944 12.987 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.870 11.776 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.477 13.569 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.526 14.786 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.847 12.849 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.736 14.213 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.838 15.820 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.500 14.595 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.667 14.061 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.681 13.739 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.004 15.307 -1.055 1.00 0.00 H new ATOM 114 N SER A 7 4.122 11.251 -2.533 1.00 0.00 N ATOM 115 CA SER A 7 3.591 9.955 -3.044 1.00 0.00 C ATOM 116 C SER A 7 4.745 8.988 -3.325 1.00 0.00 C ATOM 117 O SER A 7 5.586 9.238 -4.166 1.00 0.00 O ATOM 118 CB SER A 7 2.860 10.310 -4.338 1.00 0.00 C ATOM 119 OG SER A 7 3.411 11.506 -4.876 1.00 0.00 O ATOM 0 H SER A 7 4.215 11.989 -3.231 1.00 0.00 H new ATOM 0 HA SER A 7 2.933 9.465 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.954 9.497 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.796 10.442 -4.144 1.00 0.00 H new ATOM 0 HG SER A 7 2.945 11.736 -5.707 1.00 0.00 H new ATOM 125 N VAL A 8 4.790 7.886 -2.627 1.00 0.00 N ATOM 126 CA VAL A 8 5.891 6.907 -2.858 1.00 0.00 C ATOM 127 C VAL A 8 5.357 5.474 -2.792 1.00 0.00 C ATOM 128 O VAL A 8 5.025 4.973 -1.736 1.00 0.00 O ATOM 129 CB VAL A 8 6.892 7.157 -1.730 1.00 0.00 C ATOM 130 CG1 VAL A 8 6.162 7.176 -0.386 1.00 0.00 C ATOM 131 CG2 VAL A 8 7.936 6.038 -1.722 1.00 0.00 C ATOM 0 H VAL A 8 4.115 7.622 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 8 6.345 7.029 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 8 7.382 8.118 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.879 7.354 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.416 7.970 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.670 6.217 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.651 6.214 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.441 5.080 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.460 6.023 -2.678 1.00 0.00 H new ATOM 141 N LYS A 9 5.280 4.809 -3.912 1.00 0.00 N ATOM 142 CA LYS A 9 4.778 3.403 -3.910 1.00 0.00 C ATOM 143 C LYS A 9 5.934 2.442 -3.615 1.00 0.00 C ATOM 144 O LYS A 9 7.090 2.812 -3.683 1.00 0.00 O ATOM 145 CB LYS A 9 4.234 3.178 -5.322 1.00 0.00 C ATOM 146 CG LYS A 9 3.048 4.115 -5.564 1.00 0.00 C ATOM 147 CD LYS A 9 2.690 4.116 -7.052 1.00 0.00 C ATOM 148 CE LYS A 9 3.166 5.422 -7.693 1.00 0.00 C ATOM 149 NZ LYS A 9 2.625 6.501 -6.819 1.00 0.00 N ATOM 0 H LYS A 9 5.542 5.176 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 9 4.015 3.229 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.015 3.364 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.923 2.140 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.190 3.793 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.297 5.125 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.155 3.265 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.613 4.009 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.254 5.463 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.796 5.518 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.384 7.330 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.772 6.159 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.341 6.769 -6.114 1.00 0.00 H new ATOM 163 N LEU A 10 5.639 1.213 -3.286 1.00 0.00 N ATOM 164 CA LEU A 10 6.733 0.241 -2.987 1.00 0.00 C ATOM 165 C LEU A 10 6.515 -1.064 -3.752 1.00 0.00 C ATOM 166 O LEU A 10 5.457 -1.313 -4.293 1.00 0.00 O ATOM 167 CB LEU A 10 6.650 -0.010 -1.484 1.00 0.00 C ATOM 168 CG LEU A 10 8.060 -0.105 -0.900 1.00 0.00 C ATOM 169 CD1 LEU A 10 8.069 0.493 0.508 1.00 0.00 C ATOM 170 CD2 LEU A 10 8.484 -1.574 -0.831 1.00 0.00 C ATOM 0 H LEU A 10 4.693 0.840 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 10 7.708 0.627 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.099 0.797 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.102 -0.932 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 10 8.755 0.446 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.074 0.426 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.765 1.539 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.375 -0.059 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.489 -1.643 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.789 -2.124 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.476 -2.003 -1.833 1.00 0.00 H new ATOM 182 N ARG A 11 7.514 -1.899 -3.794 1.00 0.00 N ATOM 183 CA ARG A 11 7.373 -3.195 -4.521 1.00 0.00 C ATOM 184 C ARG A 11 8.172 -4.295 -3.815 1.00 0.00 C ATOM 185 O ARG A 11 9.074 -4.028 -3.045 1.00 0.00 O ATOM 186 CB ARG A 11 7.941 -2.933 -5.917 1.00 0.00 C ATOM 187 CG ARG A 11 7.507 -4.057 -6.861 1.00 0.00 C ATOM 188 CD ARG A 11 8.424 -4.088 -8.086 1.00 0.00 C ATOM 189 NE ARG A 11 7.577 -4.644 -9.178 1.00 0.00 N ATOM 190 CZ ARG A 11 8.130 -5.192 -10.227 1.00 0.00 C ATOM 191 NH1 ARG A 11 9.430 -5.257 -10.328 1.00 0.00 N ATOM 192 NH2 ARG A 11 7.378 -5.677 -11.177 1.00 0.00 N ATOM 0 H ARG A 11 8.422 -1.742 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 11 6.337 -3.532 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.588 -1.972 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.029 -2.878 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.545 -5.015 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.474 -3.904 -7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.786 -3.091 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.301 -4.711 -7.909 1.00 0.00 H new ATOM 0 HE ARG A 11 6.561 -4.597 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.019 -4.879 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.857 -5.686 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.362 -5.627 -11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.806 -6.106 -11.998 1.00 0.00 H new ATOM 206 N ALA A 12 7.849 -5.531 -4.079 1.00 0.00 N ATOM 207 CA ALA A 12 8.587 -6.658 -3.438 1.00 0.00 C ATOM 208 C ALA A 12 9.036 -7.658 -4.511 1.00 0.00 C ATOM 209 O ALA A 12 8.526 -7.665 -5.613 1.00 0.00 O ATOM 210 CB ALA A 12 7.568 -7.304 -2.496 1.00 0.00 C ATOM 0 H ALA A 12 7.102 -5.811 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 12 9.481 -6.330 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.031 -8.146 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.234 -6.570 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.712 -7.656 -3.072 1.00 0.00 H new ATOM 216 N LEU A 13 9.986 -8.497 -4.204 1.00 0.00 N ATOM 217 CA LEU A 13 10.460 -9.487 -5.213 1.00 0.00 C ATOM 218 C LEU A 13 9.994 -10.897 -4.832 1.00 0.00 C ATOM 219 O LEU A 13 9.328 -11.567 -5.595 1.00 0.00 O ATOM 220 CB LEU A 13 11.986 -9.395 -5.171 1.00 0.00 C ATOM 221 CG LEU A 13 12.427 -8.037 -5.717 1.00 0.00 C ATOM 222 CD1 LEU A 13 13.950 -7.924 -5.639 1.00 0.00 C ATOM 223 CD2 LEU A 13 11.980 -7.907 -7.174 1.00 0.00 C ATOM 0 H LEU A 13 10.455 -8.540 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 13 10.067 -9.283 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.341 -9.521 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.426 -10.198 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 13 11.975 -7.242 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.263 -6.955 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.269 -8.018 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.405 -8.718 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.293 -6.939 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.433 -8.702 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.894 -7.987 -7.230 1.00 0.00 H new ATOM 235 N ARG A 14 10.336 -11.349 -3.657 1.00 0.00 N ATOM 236 CA ARG A 14 9.909 -12.715 -3.232 1.00 0.00 C ATOM 237 C ARG A 14 8.422 -12.918 -3.535 1.00 0.00 C ATOM 238 O ARG A 14 8.045 -13.796 -4.284 1.00 0.00 O ATOM 239 CB ARG A 14 10.161 -12.756 -1.724 1.00 0.00 C ATOM 240 CG ARG A 14 10.046 -14.196 -1.224 1.00 0.00 C ATOM 241 CD ARG A 14 10.026 -14.204 0.307 1.00 0.00 C ATOM 242 NE ARG A 14 9.410 -15.508 0.679 1.00 0.00 N ATOM 243 CZ ARG A 14 10.089 -16.617 0.548 1.00 0.00 C ATOM 244 NH1 ARG A 14 11.311 -16.588 0.090 1.00 0.00 N ATOM 245 NH2 ARG A 14 9.543 -17.755 0.877 1.00 0.00 N ATOM 0 H ARG A 14 10.891 -10.834 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 14 10.451 -13.502 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.152 -12.361 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.440 -12.122 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.137 -14.656 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.885 -14.788 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.033 -14.113 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.446 -13.368 0.698 1.00 0.00 H new ATOM 0 HE ARG A 14 8.455 -15.536 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.738 -15.698 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.838 -17.455 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.588 -17.778 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.071 -18.622 0.776 1.00 0.00 H new ATOM 259 N SER A 15 7.575 -12.108 -2.960 1.00 0.00 N ATOM 260 CA SER A 15 6.113 -12.251 -3.217 1.00 0.00 C ATOM 261 C SER A 15 5.637 -11.142 -4.159 1.00 0.00 C ATOM 262 O SER A 15 6.098 -10.021 -4.078 1.00 0.00 O ATOM 263 CB SER A 15 5.453 -12.108 -1.847 1.00 0.00 C ATOM 264 OG SER A 15 4.051 -12.290 -1.981 1.00 0.00 O ATOM 0 H SER A 15 7.832 -11.354 -2.323 1.00 0.00 H new ATOM 0 HA SER A 15 5.866 -13.202 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.862 -12.844 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.665 -11.124 -1.429 1.00 0.00 H new ATOM 0 HG SER A 15 3.624 -12.201 -1.103 1.00 0.00 H new ATOM 270 N PRO A 16 4.727 -11.495 -5.023 1.00 0.00 N ATOM 271 CA PRO A 16 4.182 -10.515 -5.993 1.00 0.00 C ATOM 272 C PRO A 16 3.224 -9.549 -5.290 1.00 0.00 C ATOM 273 O PRO A 16 2.024 -9.738 -5.290 1.00 0.00 O ATOM 274 CB PRO A 16 3.433 -11.385 -6.997 1.00 0.00 C ATOM 275 CG PRO A 16 3.079 -12.631 -6.248 1.00 0.00 C ATOM 276 CD PRO A 16 4.125 -12.824 -5.179 1.00 0.00 C ATOM 0 HA PRO A 16 4.951 -9.899 -6.460 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.540 -10.880 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.054 -11.610 -7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.087 -12.544 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.053 -13.489 -6.920 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.682 -13.173 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.867 -13.565 -5.476 1.00 0.00 H new ATOM 284 N ARG A 17 3.747 -8.512 -4.692 1.00 0.00 N ATOM 285 CA ARG A 17 2.865 -7.535 -3.992 1.00 0.00 C ATOM 286 C ARG A 17 3.432 -6.120 -4.126 1.00 0.00 C ATOM 287 O ARG A 17 4.617 -5.930 -4.319 1.00 0.00 O ATOM 288 CB ARG A 17 2.862 -7.976 -2.529 1.00 0.00 C ATOM 289 CG ARG A 17 1.712 -7.287 -1.792 1.00 0.00 C ATOM 290 CD ARG A 17 1.441 -8.012 -0.472 1.00 0.00 C ATOM 291 NE ARG A 17 0.746 -9.271 -0.863 1.00 0.00 N ATOM 292 CZ ARG A 17 0.030 -9.926 0.012 1.00 0.00 C ATOM 293 NH1 ARG A 17 -0.080 -9.483 1.236 1.00 0.00 N ATOM 294 NH2 ARG A 17 -0.576 -11.028 -0.337 1.00 0.00 N ATOM 0 H ARG A 17 4.744 -8.300 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 17 1.859 -7.515 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.753 -9.059 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.813 -7.723 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.963 -6.244 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.815 -7.291 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.368 -8.222 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.821 -7.408 0.191 1.00 0.00 H new ATOM 0 HE ARG A 17 0.830 -9.623 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.394 -8.623 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.640 -9.997 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.490 -11.377 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.135 -11.540 0.345 1.00 0.00 H new ATOM 308 N LYS A 18 2.593 -5.124 -4.032 1.00 0.00 N ATOM 309 CA LYS A 18 3.082 -3.720 -4.158 1.00 0.00 C ATOM 310 C LYS A 18 2.365 -2.812 -3.152 1.00 0.00 C ATOM 311 O LYS A 18 1.203 -2.495 -3.305 1.00 0.00 O ATOM 312 CB LYS A 18 2.742 -3.313 -5.594 1.00 0.00 C ATOM 313 CG LYS A 18 1.321 -3.769 -5.933 1.00 0.00 C ATOM 314 CD LYS A 18 0.854 -3.084 -7.219 1.00 0.00 C ATOM 315 CE LYS A 18 0.078 -4.087 -8.077 1.00 0.00 C ATOM 316 NZ LYS A 18 0.887 -4.239 -9.317 1.00 0.00 N ATOM 0 H LYS A 18 1.590 -5.221 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 18 4.149 -3.633 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.824 -2.232 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.454 -3.760 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.296 -4.852 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.645 -3.525 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.222 -2.228 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.712 -2.702 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.038 -5.041 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.924 -3.722 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.419 -4.912 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.975 -3.317 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.833 -4.594 -9.073 1.00 0.00 H new ATOM 330 N PHE A 19 3.055 -2.386 -2.127 1.00 0.00 N ATOM 331 CA PHE A 19 2.418 -1.495 -1.115 1.00 0.00 C ATOM 332 C PHE A 19 2.626 -0.029 -1.504 1.00 0.00 C ATOM 333 O PHE A 19 3.715 0.378 -1.854 1.00 0.00 O ATOM 334 CB PHE A 19 3.143 -1.807 0.195 1.00 0.00 C ATOM 335 CG PHE A 19 2.751 -3.183 0.678 1.00 0.00 C ATOM 336 CD1 PHE A 19 3.231 -4.320 0.017 1.00 0.00 C ATOM 337 CD2 PHE A 19 1.910 -3.321 1.787 1.00 0.00 C ATOM 338 CE1 PHE A 19 2.867 -5.596 0.466 1.00 0.00 C ATOM 339 CE2 PHE A 19 1.547 -4.595 2.237 1.00 0.00 C ATOM 340 CZ PHE A 19 2.025 -5.733 1.577 1.00 0.00 C ATOM 0 H PHE A 19 4.032 -2.617 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 19 1.343 -1.657 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.222 -1.757 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.890 -1.061 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.881 -4.213 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.540 -2.443 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.235 -6.474 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.898 -4.700 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.745 -6.716 1.924 1.00 0.00 H new ATOM 350 N GLY A 20 1.593 0.769 -1.449 1.00 0.00 N ATOM 351 CA GLY A 20 1.749 2.204 -1.823 1.00 0.00 C ATOM 352 C GLY A 20 1.408 3.097 -0.628 1.00 0.00 C ATOM 353 O GLY A 20 0.310 3.066 -0.109 1.00 0.00 O ATOM 0 H GLY A 20 0.654 0.491 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.771 2.394 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.097 2.442 -2.663 1.00 0.00 H new ATOM 357 N VAL A 21 2.344 3.897 -0.190 1.00 0.00 N ATOM 358 CA VAL A 21 2.081 4.800 0.969 1.00 0.00 C ATOM 359 C VAL A 21 2.744 6.163 0.734 1.00 0.00 C ATOM 360 O VAL A 21 3.932 6.251 0.500 1.00 0.00 O ATOM 361 CB VAL A 21 2.710 4.090 2.168 1.00 0.00 C ATOM 362 CG1 VAL A 21 2.731 5.036 3.371 1.00 0.00 C ATOM 363 CG2 VAL A 21 1.885 2.848 2.511 1.00 0.00 C ATOM 0 H VAL A 21 3.282 3.964 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 21 1.018 4.988 1.121 1.00 0.00 H new ATOM 0 HB VAL A 21 3.730 3.795 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.180 4.529 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.317 5.922 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.712 5.332 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.331 2.339 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.865 3.145 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.870 2.173 1.655 1.00 0.00 H new ATOM 373 N ALA A 22 1.987 7.226 0.791 1.00 0.00 N ATOM 374 CA ALA A 22 2.581 8.578 0.567 1.00 0.00 C ATOM 375 C ALA A 22 2.751 9.316 1.900 1.00 0.00 C ATOM 376 O ALA A 22 1.822 9.900 2.419 1.00 0.00 O ATOM 377 CB ALA A 22 1.575 9.308 -0.323 1.00 0.00 C ATOM 0 H ALA A 22 0.985 7.218 0.982 1.00 0.00 H new ATOM 0 HA ALA A 22 3.569 8.522 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.939 10.313 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.453 8.762 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.615 9.370 0.189 1.00 0.00 H new ATOM 383 N GLY A 23 3.932 9.295 2.456 1.00 0.00 N ATOM 384 CA GLY A 23 4.158 9.995 3.753 1.00 0.00 C ATOM 385 C GLY A 23 5.235 11.067 3.578 1.00 0.00 C ATOM 386 O GLY A 23 6.063 10.989 2.693 1.00 0.00 O ATOM 0 H GLY A 23 4.750 8.824 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.230 10.451 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.464 9.279 4.516 1.00 0.00 H new ATOM 390 N ARG A 24 5.231 12.068 4.417 1.00 0.00 N ATOM 391 CA ARG A 24 6.258 13.143 4.298 1.00 0.00 C ATOM 392 C ARG A 24 7.568 12.691 4.946 1.00 0.00 C ATOM 393 O ARG A 24 8.630 13.200 4.644 1.00 0.00 O ATOM 394 CB ARG A 24 5.677 14.339 5.054 1.00 0.00 C ATOM 395 CG ARG A 24 6.456 15.601 4.680 1.00 0.00 C ATOM 396 CD ARG A 24 6.195 16.693 5.721 1.00 0.00 C ATOM 397 NE ARG A 24 7.364 16.634 6.642 1.00 0.00 N ATOM 398 CZ ARG A 24 7.306 17.208 7.813 1.00 0.00 C ATOM 399 NH1 ARG A 24 6.223 17.838 8.183 1.00 0.00 N ATOM 400 NH2 ARG A 24 8.334 17.154 8.617 1.00 0.00 N ATOM 0 H ARG A 24 4.563 12.188 5.178 1.00 0.00 H new ATOM 0 HA ARG A 24 6.479 13.387 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.622 14.462 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.735 14.167 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.522 15.381 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.154 15.947 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.111 17.673 5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.262 16.514 6.255 1.00 0.00 H new ATOM 0 HE ARG A 24 8.212 16.144 6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.420 17.882 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.181 18.285 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.181 16.664 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.290 17.602 9.532 1.00 0.00 H new ATOM 414 N SER A 25 7.502 11.741 5.837 1.00 0.00 N ATOM 415 CA SER A 25 8.745 11.260 6.506 1.00 0.00 C ATOM 416 C SER A 25 9.421 10.188 5.644 1.00 0.00 C ATOM 417 O SER A 25 9.000 9.048 5.600 1.00 0.00 O ATOM 418 CB SER A 25 8.274 10.686 7.840 1.00 0.00 C ATOM 419 OG SER A 25 9.405 10.435 8.664 1.00 0.00 O ATOM 0 H SER A 25 6.643 11.277 6.131 1.00 0.00 H new ATOM 0 HA SER A 25 9.481 12.051 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.598 11.385 8.332 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.716 9.764 7.677 1.00 0.00 H new ATOM 0 HG SER A 25 9.275 10.861 9.537 1.00 0.00 H new ATOM 425 N CYS A 26 10.464 10.555 4.947 1.00 0.00 N ATOM 426 CA CYS A 26 11.174 9.579 4.067 1.00 0.00 C ATOM 427 C CYS A 26 11.592 8.331 4.851 1.00 0.00 C ATOM 428 O CYS A 26 10.915 7.323 4.831 1.00 0.00 O ATOM 429 CB CYS A 26 12.408 10.331 3.566 1.00 0.00 C ATOM 430 SG CYS A 26 11.887 11.729 2.542 1.00 0.00 S ATOM 0 H CYS A 26 10.858 11.496 4.949 1.00 0.00 H new ATOM 0 HA CYS A 26 10.538 9.231 3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.999 10.685 4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.046 9.661 2.989 1.00 0.00 H new ATOM 0 HG CYS A 26 11.307 11.286 1.466 1.00 0.00 H new ATOM 436 N GLN A 27 12.710 8.392 5.531 1.00 0.00 N ATOM 437 CA GLN A 27 13.190 7.209 6.312 1.00 0.00 C ATOM 438 C GLN A 27 12.011 6.476 6.955 1.00 0.00 C ATOM 439 O GLN A 27 11.952 5.263 6.971 1.00 0.00 O ATOM 440 CB GLN A 27 14.105 7.795 7.388 1.00 0.00 C ATOM 441 CG GLN A 27 14.896 6.669 8.057 1.00 0.00 C ATOM 442 CD GLN A 27 14.889 6.871 9.574 1.00 0.00 C ATOM 443 OE1 GLN A 27 15.783 7.486 10.120 1.00 0.00 O ATOM 444 NE2 GLN A 27 13.912 6.374 10.282 1.00 0.00 N ATOM 0 H GLN A 27 13.313 9.213 5.579 1.00 0.00 H new ATOM 0 HA GLN A 27 13.705 6.483 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.788 8.519 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.513 8.329 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.457 5.703 7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.921 6.660 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.161 5.858 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.899 6.502 11.294 1.00 0.00 H new ATOM 453 N GLU A 28 11.070 7.208 7.476 1.00 0.00 N ATOM 454 CA GLU A 28 9.886 6.570 8.116 1.00 0.00 C ATOM 455 C GLU A 28 9.128 5.709 7.101 1.00 0.00 C ATOM 456 O GLU A 28 9.071 4.500 7.218 1.00 0.00 O ATOM 457 CB GLU A 28 9.028 7.747 8.566 1.00 0.00 C ATOM 458 CG GLU A 28 9.490 8.218 9.947 1.00 0.00 C ATOM 459 CD GLU A 28 8.377 9.034 10.607 1.00 0.00 C ATOM 460 OE1 GLU A 28 7.307 8.484 10.810 1.00 0.00 O ATOM 461 OE2 GLU A 28 8.615 10.195 10.897 1.00 0.00 O ATOM 0 H GLU A 28 11.069 8.228 7.487 1.00 0.00 H new ATOM 0 HA GLU A 28 10.158 5.910 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.105 8.563 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.979 7.453 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.744 7.360 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.392 8.823 9.854 1.00 0.00 H new ATOM 468 N VAL A 29 8.543 6.325 6.107 1.00 0.00 N ATOM 469 CA VAL A 29 7.784 5.548 5.084 1.00 0.00 C ATOM 470 C VAL A 29 8.527 4.257 4.731 1.00 0.00 C ATOM 471 O VAL A 29 8.007 3.169 4.885 1.00 0.00 O ATOM 472 CB VAL A 29 7.711 6.469 3.865 1.00 0.00 C ATOM 473 CG1 VAL A 29 6.891 5.794 2.765 1.00 0.00 C ATOM 474 CG2 VAL A 29 7.041 7.786 4.263 1.00 0.00 C ATOM 0 H VAL A 29 8.558 7.334 5.960 1.00 0.00 H new ATOM 0 HA VAL A 29 6.796 5.256 5.441 1.00 0.00 H new ATOM 0 HB VAL A 29 8.718 6.668 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.839 6.450 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.365 4.854 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.884 5.596 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.988 8.444 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.034 7.586 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.623 8.268 5.049 1.00 0.00 H new ATOM 484 N LEU A 30 9.738 4.367 4.258 1.00 0.00 N ATOM 485 CA LEU A 30 10.509 3.143 3.898 1.00 0.00 C ATOM 486 C LEU A 30 10.479 2.142 5.056 1.00 0.00 C ATOM 487 O LEU A 30 10.065 1.012 4.901 1.00 0.00 O ATOM 488 CB LEU A 30 11.937 3.631 3.649 1.00 0.00 C ATOM 489 CG LEU A 30 11.958 4.583 2.452 1.00 0.00 C ATOM 490 CD1 LEU A 30 13.402 4.808 2.002 1.00 0.00 C ATOM 491 CD2 LEU A 30 11.157 3.973 1.298 1.00 0.00 C ATOM 0 H LEU A 30 10.226 5.249 4.105 1.00 0.00 H new ATOM 0 HA LEU A 30 10.095 2.636 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.317 4.138 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.594 2.782 3.461 1.00 0.00 H new ATOM 0 HG LEU A 30 11.514 5.535 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.416 5.486 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.975 5.243 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.846 3.855 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.172 4.652 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.601 3.020 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.127 3.812 1.615 1.00 0.00 H new ATOM 503 N ARG A 31 10.919 2.552 6.213 1.00 0.00 N ATOM 504 CA ARG A 31 10.922 1.626 7.381 1.00 0.00 C ATOM 505 C ARG A 31 9.556 0.953 7.536 1.00 0.00 C ATOM 506 O ARG A 31 9.464 -0.231 7.790 1.00 0.00 O ATOM 507 CB ARG A 31 11.220 2.514 8.589 1.00 0.00 C ATOM 508 CG ARG A 31 11.721 1.648 9.746 1.00 0.00 C ATOM 509 CD ARG A 31 11.981 2.530 10.969 1.00 0.00 C ATOM 510 NE ARG A 31 13.393 2.249 11.349 1.00 0.00 N ATOM 511 CZ ARG A 31 13.704 1.124 11.936 1.00 0.00 C ATOM 512 NH1 ARG A 31 12.777 0.241 12.194 1.00 0.00 N ATOM 513 NH2 ARG A 31 14.943 0.883 12.266 1.00 0.00 N ATOM 0 H ARG A 31 11.277 3.489 6.401 1.00 0.00 H new ATOM 0 HA ARG A 31 11.655 0.827 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.970 3.261 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.322 3.054 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.984 0.882 9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.635 1.130 9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.837 3.585 10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.297 2.289 11.783 1.00 0.00 H new ATOM 0 HE ARG A 31 14.120 2.937 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.808 0.429 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.022 -0.637 12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.667 1.572 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.187 0.005 12.724 1.00 0.00 H new ATOM 527 N LYS A 32 8.493 1.695 7.388 1.00 0.00 N ATOM 528 CA LYS A 32 7.137 1.090 7.532 1.00 0.00 C ATOM 529 C LYS A 32 6.940 -0.026 6.502 1.00 0.00 C ATOM 530 O LYS A 32 7.115 -1.192 6.795 1.00 0.00 O ATOM 531 CB LYS A 32 6.161 2.239 7.275 1.00 0.00 C ATOM 532 CG LYS A 32 6.175 3.195 8.468 1.00 0.00 C ATOM 533 CD LYS A 32 5.050 4.221 8.315 1.00 0.00 C ATOM 534 CE LYS A 32 5.648 5.588 7.974 1.00 0.00 C ATOM 535 NZ LYS A 32 5.586 6.363 9.243 1.00 0.00 N ATOM 0 H LYS A 32 8.504 2.692 7.174 1.00 0.00 H new ATOM 0 HA LYS A 32 6.988 0.641 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.440 2.771 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.155 1.848 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.049 2.637 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.138 3.702 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.362 3.907 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.473 4.284 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.674 5.492 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.082 6.080 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.900 7.339 9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.608 6.371 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.207 5.921 9.951 1.00 0.00 H new ATOM 549 N GLY A 33 6.573 0.322 5.298 1.00 0.00 N ATOM 550 CA GLY A 33 6.362 -0.720 4.252 1.00 0.00 C ATOM 551 C GLY A 33 7.490 -1.753 4.310 1.00 0.00 C ATOM 552 O GLY A 33 7.275 -2.931 4.101 1.00 0.00 O ATOM 0 H GLY A 33 6.410 1.282 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.400 -1.210 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.332 -0.257 3.266 1.00 0.00 H new ATOM 556 N CYS A 34 8.692 -1.326 4.586 1.00 0.00 N ATOM 557 CA CYS A 34 9.830 -2.289 4.649 1.00 0.00 C ATOM 558 C CYS A 34 9.640 -3.263 5.816 1.00 0.00 C ATOM 559 O CYS A 34 9.846 -4.453 5.681 1.00 0.00 O ATOM 560 CB CYS A 34 11.071 -1.425 4.871 1.00 0.00 C ATOM 561 SG CYS A 34 12.555 -2.452 4.725 1.00 0.00 S ATOM 0 H CYS A 34 8.936 -0.353 4.771 1.00 0.00 H new ATOM 0 HA CYS A 34 9.908 -2.891 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.101 -0.618 4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.033 -0.961 5.856 1.00 0.00 H new ATOM 0 HG CYS A 34 13.612 -1.714 4.892 1.00 0.00 H new ATOM 567 N LEU A 35 9.249 -2.771 6.959 1.00 0.00 N ATOM 568 CA LEU A 35 9.047 -3.673 8.130 1.00 0.00 C ATOM 569 C LEU A 35 7.978 -4.721 7.812 1.00 0.00 C ATOM 570 O LEU A 35 7.974 -5.804 8.364 1.00 0.00 O ATOM 571 CB LEU A 35 8.586 -2.758 9.265 1.00 0.00 C ATOM 572 CG LEU A 35 9.779 -1.967 9.801 1.00 0.00 C ATOM 573 CD1 LEU A 35 9.281 -0.716 10.528 1.00 0.00 C ATOM 574 CD2 LEU A 35 10.568 -2.842 10.780 1.00 0.00 C ATOM 0 H LEU A 35 9.060 -1.784 7.134 1.00 0.00 H new ATOM 0 HA LEU A 35 9.954 -4.217 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.816 -2.075 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.140 -3.350 10.064 1.00 0.00 H new ATOM 0 HG LEU A 35 10.421 -1.672 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.133 -0.153 10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.716 -0.093 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.639 -1.009 11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.420 -2.281 11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.923 -3.134 11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.924 -3.734 10.265 1.00 0.00 H new ATOM 586 N ARG A 36 7.073 -4.410 6.926 1.00 0.00 N ATOM 587 CA ARG A 36 6.008 -5.393 6.574 1.00 0.00 C ATOM 588 C ARG A 36 6.588 -6.503 5.695 1.00 0.00 C ATOM 589 O ARG A 36 6.100 -7.616 5.679 1.00 0.00 O ATOM 590 CB ARG A 36 4.965 -4.584 5.801 1.00 0.00 C ATOM 591 CG ARG A 36 3.783 -5.487 5.440 1.00 0.00 C ATOM 592 CD ARG A 36 2.528 -5.000 6.168 1.00 0.00 C ATOM 593 NE ARG A 36 2.574 -5.667 7.500 1.00 0.00 N ATOM 594 CZ ARG A 36 1.873 -5.195 8.496 1.00 0.00 C ATOM 595 NH1 ARG A 36 1.127 -4.135 8.330 1.00 0.00 N ATOM 596 NH2 ARG A 36 1.918 -5.784 9.659 1.00 0.00 N ATOM 0 H ARG A 36 7.024 -3.520 6.431 1.00 0.00 H new ATOM 0 HA ARG A 36 5.580 -5.875 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.623 -3.742 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.409 -4.169 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.619 -5.476 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.001 -6.518 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.526 -3.915 6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.624 -5.270 5.622 1.00 0.00 H new ATOM 0 HE ARG A 36 3.155 -6.495 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.091 -3.674 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.581 -3.769 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.500 -6.612 9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.371 -5.417 10.438 1.00 0.00 H new ATOM 610 N PHE A 37 7.627 -6.208 4.962 1.00 0.00 N ATOM 611 CA PHE A 37 8.243 -7.234 4.084 1.00 0.00 C ATOM 612 C PHE A 37 9.046 -8.239 4.916 1.00 0.00 C ATOM 613 O PHE A 37 9.474 -9.265 4.426 1.00 0.00 O ATOM 614 CB PHE A 37 9.166 -6.432 3.168 1.00 0.00 C ATOM 615 CG PHE A 37 8.369 -5.803 2.041 1.00 0.00 C ATOM 616 CD1 PHE A 37 6.967 -5.850 2.047 1.00 0.00 C ATOM 617 CD2 PHE A 37 9.041 -5.171 0.989 1.00 0.00 C ATOM 618 CE1 PHE A 37 6.243 -5.267 1.001 1.00 0.00 C ATOM 619 CE2 PHE A 37 8.315 -4.587 -0.057 1.00 0.00 C ATOM 620 CZ PHE A 37 6.916 -4.635 -0.051 1.00 0.00 C ATOM 0 H PHE A 37 8.076 -5.293 4.936 1.00 0.00 H new ATOM 0 HA PHE A 37 7.505 -7.814 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.674 -5.656 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.938 -7.083 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.446 -6.336 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.120 -5.133 0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.164 -5.305 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.835 -4.099 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.356 -4.185 -0.858 1.00 0.00 H new ATOM 630 N GLN A 38 9.253 -7.954 6.174 1.00 0.00 N ATOM 631 CA GLN A 38 10.025 -8.895 7.035 1.00 0.00 C ATOM 632 C GLN A 38 11.423 -9.128 6.448 1.00 0.00 C ATOM 633 O GLN A 38 11.799 -10.243 6.144 1.00 0.00 O ATOM 634 CB GLN A 38 9.216 -10.193 7.028 1.00 0.00 C ATOM 635 CG GLN A 38 7.764 -9.893 7.407 1.00 0.00 C ATOM 636 CD GLN A 38 7.230 -11.006 8.312 1.00 0.00 C ATOM 637 OE1 GLN A 38 7.001 -12.112 7.864 1.00 0.00 O ATOM 638 NE2 GLN A 38 7.020 -10.760 9.577 1.00 0.00 N ATOM 0 H GLN A 38 8.921 -7.111 6.642 1.00 0.00 H new ATOM 0 HA GLN A 38 10.167 -8.509 8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.257 -10.654 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.647 -10.906 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.702 -8.933 7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.152 -9.815 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.212 -9.832 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.664 -11.496 10.187 1.00 0.00 H new ATOM 647 N LEU A 39 12.194 -8.086 6.290 1.00 0.00 N ATOM 648 CA LEU A 39 13.566 -8.250 5.726 1.00 0.00 C ATOM 649 C LEU A 39 14.595 -7.524 6.599 1.00 0.00 C ATOM 650 O LEU A 39 14.509 -6.327 6.793 1.00 0.00 O ATOM 651 CB LEU A 39 13.500 -7.618 4.336 1.00 0.00 C ATOM 652 CG LEU A 39 12.770 -8.561 3.380 1.00 0.00 C ATOM 653 CD1 LEU A 39 12.375 -7.802 2.112 1.00 0.00 C ATOM 654 CD2 LEU A 39 13.695 -9.723 3.009 1.00 0.00 C ATOM 0 H LEU A 39 11.934 -7.129 6.527 1.00 0.00 H new ATOM 0 HA LEU A 39 13.871 -9.296 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.982 -6.660 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.506 -7.418 3.968 1.00 0.00 H new ATOM 0 HG LEU A 39 11.873 -8.946 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.855 -8.476 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.718 -6.973 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.271 -7.416 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.177 -10.397 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.591 -9.335 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.977 -10.266 3.911 1.00 0.00 H new ATOM 666 N PRO A 40 15.539 -8.278 7.097 1.00 0.00 N ATOM 667 CA PRO A 40 16.602 -7.703 7.957 1.00 0.00 C ATOM 668 C PRO A 40 17.593 -6.892 7.116 1.00 0.00 C ATOM 669 O PRO A 40 17.501 -6.844 5.905 1.00 0.00 O ATOM 670 CB PRO A 40 17.278 -8.929 8.562 1.00 0.00 C ATOM 671 CG PRO A 40 17.010 -10.037 7.593 1.00 0.00 C ATOM 672 CD PRO A 40 15.705 -9.724 6.908 1.00 0.00 C ATOM 0 HA PRO A 40 16.216 -7.019 8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.348 -8.767 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.871 -9.159 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.818 -10.115 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.953 -10.995 8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.737 -9.987 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.879 -10.281 7.350 1.00 0.00 H new ATOM 680 N GLU A 41 18.537 -6.253 7.751 1.00 0.00 N ATOM 681 CA GLU A 41 19.533 -5.442 6.994 1.00 0.00 C ATOM 682 C GLU A 41 20.510 -6.355 6.249 1.00 0.00 C ATOM 683 O GLU A 41 20.378 -6.590 5.065 1.00 0.00 O ATOM 684 CB GLU A 41 20.266 -4.633 8.064 1.00 0.00 C ATOM 685 CG GLU A 41 21.454 -3.907 7.434 1.00 0.00 C ATOM 686 CD GLU A 41 21.450 -2.443 7.880 1.00 0.00 C ATOM 687 OE1 GLU A 41 20.374 -1.921 8.119 1.00 0.00 O ATOM 688 OE2 GLU A 41 22.524 -1.871 7.976 1.00 0.00 O ATOM 0 H GLU A 41 18.662 -6.257 8.763 1.00 0.00 H new ATOM 0 HA GLU A 41 19.065 -4.806 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.586 -3.912 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.611 -5.293 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.387 -4.387 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.397 -3.968 6.347 1.00 0.00 H new ATOM 695 N ARG A 42 21.493 -6.871 6.931 1.00 0.00 N ATOM 696 CA ARG A 42 22.476 -7.765 6.256 1.00 0.00 C ATOM 697 C ARG A 42 21.747 -8.840 5.442 1.00 0.00 C ATOM 698 O ARG A 42 22.103 -9.128 4.317 1.00 0.00 O ATOM 699 CB ARG A 42 23.280 -8.401 7.391 1.00 0.00 C ATOM 700 CG ARG A 42 24.501 -9.121 6.812 1.00 0.00 C ATOM 701 CD ARG A 42 25.036 -10.126 7.834 1.00 0.00 C ATOM 702 NE ARG A 42 25.199 -11.398 7.075 1.00 0.00 N ATOM 703 CZ ARG A 42 26.120 -11.497 6.153 1.00 0.00 C ATOM 704 NH1 ARG A 42 26.900 -10.484 5.892 1.00 0.00 N ATOM 705 NH2 ARG A 42 26.259 -12.614 5.491 1.00 0.00 N ATOM 0 H ARG A 42 21.659 -6.713 7.925 1.00 0.00 H new ATOM 0 HA ARG A 42 23.115 -7.222 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.598 -7.635 8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.657 -9.105 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 42 24.230 -9.634 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 25.276 -8.398 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.985 -9.793 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.343 -10.249 8.666 1.00 0.00 H new ATOM 0 HE ARG A 42 24.591 -12.192 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.792 -9.611 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.618 -10.565 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.650 -13.406 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 42 26.977 -12.694 4.771 1.00 0.00 H new ATOM 719 N GLY A 43 20.735 -9.441 6.007 1.00 0.00 N ATOM 720 CA GLY A 43 19.990 -10.504 5.271 1.00 0.00 C ATOM 721 C GLY A 43 19.301 -9.912 4.038 1.00 0.00 C ATOM 722 O GLY A 43 19.266 -10.521 2.987 1.00 0.00 O ATOM 0 H GLY A 43 20.391 -9.242 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.676 -11.295 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.248 -10.959 5.927 1.00 0.00 H new ATOM 726 N SER A 44 18.742 -8.737 4.153 1.00 0.00 N ATOM 727 CA SER A 44 18.051 -8.131 2.977 1.00 0.00 C ATOM 728 C SER A 44 18.423 -6.654 2.828 1.00 0.00 C ATOM 729 O SER A 44 18.565 -5.936 3.797 1.00 0.00 O ATOM 730 CB SER A 44 16.563 -8.270 3.277 1.00 0.00 C ATOM 731 OG SER A 44 15.823 -7.522 2.319 1.00 0.00 O ATOM 0 H SER A 44 18.733 -8.174 5.003 1.00 0.00 H new ATOM 0 HA SER A 44 18.334 -8.622 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.269 -9.319 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.347 -7.910 4.283 1.00 0.00 H new ATOM 0 HG SER A 44 15.802 -6.579 2.586 1.00 0.00 H new ATOM 737 N ARG A 45 18.570 -6.194 1.617 1.00 0.00 N ATOM 738 CA ARG A 45 18.925 -4.763 1.401 1.00 0.00 C ATOM 739 C ARG A 45 17.906 -4.102 0.469 1.00 0.00 C ATOM 740 O ARG A 45 17.529 -4.654 -0.546 1.00 0.00 O ATOM 741 CB ARG A 45 20.310 -4.789 0.754 1.00 0.00 C ATOM 742 CG ARG A 45 20.787 -3.358 0.510 1.00 0.00 C ATOM 743 CD ARG A 45 21.936 -3.369 -0.500 1.00 0.00 C ATOM 744 NE ARG A 45 22.760 -2.175 -0.161 1.00 0.00 N ATOM 745 CZ ARG A 45 23.981 -2.071 -0.611 1.00 0.00 C ATOM 746 NH1 ARG A 45 24.487 -3.013 -1.362 1.00 0.00 N ATOM 747 NH2 ARG A 45 24.698 -1.024 -0.310 1.00 0.00 N ATOM 0 H ARG A 45 18.460 -6.747 0.767 1.00 0.00 H new ATOM 0 HA ARG A 45 18.923 -4.192 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.015 -5.313 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 45 20.273 -5.336 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.965 -2.748 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 45 21.116 -2.908 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.520 -4.286 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.563 -3.313 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 45 22.369 -1.437 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.928 -3.833 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 45 25.441 -2.929 -1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.305 -0.288 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.652 -0.941 -0.661 1.00 0.00 H new ATOM 761 N LEU A 46 17.456 -2.925 0.806 1.00 0.00 N ATOM 762 CA LEU A 46 16.460 -2.231 -0.060 1.00 0.00 C ATOM 763 C LEU A 46 17.170 -1.552 -1.237 1.00 0.00 C ATOM 764 O LEU A 46 18.203 -0.931 -1.074 1.00 0.00 O ATOM 765 CB LEU A 46 15.804 -1.193 0.856 1.00 0.00 C ATOM 766 CG LEU A 46 14.564 -0.596 0.182 1.00 0.00 C ATOM 767 CD1 LEU A 46 14.995 0.435 -0.860 1.00 0.00 C ATOM 768 CD2 LEU A 46 13.754 -1.702 -0.500 1.00 0.00 C ATOM 0 H LEU A 46 17.734 -2.413 1.643 1.00 0.00 H new ATOM 0 HA LEU A 46 15.727 -2.914 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.524 -1.658 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.516 -0.401 1.089 1.00 0.00 H new ATOM 0 HG LEU A 46 13.945 -0.115 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.112 0.859 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.561 1.229 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.620 -0.047 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.875 -1.268 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.370 -2.192 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.440 -2.434 0.244 1.00 0.00 H new ATOM 780 N CYS A 47 16.631 -1.670 -2.420 1.00 0.00 N ATOM 781 CA CYS A 47 17.284 -1.035 -3.603 1.00 0.00 C ATOM 782 C CYS A 47 16.232 -0.382 -4.506 1.00 0.00 C ATOM 783 O CYS A 47 15.045 -0.490 -4.273 1.00 0.00 O ATOM 784 CB CYS A 47 17.985 -2.179 -4.339 1.00 0.00 C ATOM 785 SG CYS A 47 18.903 -3.193 -3.154 1.00 0.00 S ATOM 0 H CYS A 47 15.769 -2.177 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 47 17.983 -0.251 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.251 -2.790 -4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.663 -1.778 -5.092 1.00 0.00 H new ATOM 0 HG CYS A 47 19.496 -4.165 -3.782 1.00 0.00 H new ATOM 791 N LEU A 48 16.662 0.297 -5.536 1.00 0.00 N ATOM 792 CA LEU A 48 15.692 0.962 -6.454 1.00 0.00 C ATOM 793 C LEU A 48 15.117 -0.049 -7.449 1.00 0.00 C ATOM 794 O LEU A 48 15.444 -1.219 -7.424 1.00 0.00 O ATOM 795 CB LEU A 48 16.506 2.028 -7.187 1.00 0.00 C ATOM 796 CG LEU A 48 16.830 3.173 -6.227 1.00 0.00 C ATOM 797 CD1 LEU A 48 18.085 3.904 -6.707 1.00 0.00 C ATOM 798 CD2 LEU A 48 15.655 4.152 -6.193 1.00 0.00 C ATOM 0 H LEU A 48 17.644 0.420 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 48 14.847 1.390 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.427 1.594 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.945 2.404 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 48 17.003 2.772 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.315 4.720 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.923 3.208 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.912 4.306 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.883 4.970 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.485 4.551 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.759 3.633 -5.853 1.00 0.00 H new ATOM 810 N TYR A 49 14.257 0.397 -8.325 1.00 0.00 N ATOM 811 CA TYR A 49 13.653 -0.534 -9.324 1.00 0.00 C ATOM 812 C TYR A 49 14.518 -0.591 -10.587 1.00 0.00 C ATOM 813 O TYR A 49 15.082 -1.616 -10.918 1.00 0.00 O ATOM 814 CB TYR A 49 12.282 0.064 -9.639 1.00 0.00 C ATOM 815 CG TYR A 49 11.469 -0.923 -10.443 1.00 0.00 C ATOM 816 CD1 TYR A 49 11.889 -1.295 -11.726 1.00 0.00 C ATOM 817 CD2 TYR A 49 10.296 -1.467 -9.906 1.00 0.00 C ATOM 818 CE1 TYR A 49 11.133 -2.208 -12.472 1.00 0.00 C ATOM 819 CE2 TYR A 49 9.542 -2.381 -10.652 1.00 0.00 C ATOM 820 CZ TYR A 49 9.961 -2.751 -11.935 1.00 0.00 C ATOM 821 OH TYR A 49 9.217 -3.651 -12.670 1.00 0.00 O ATOM 0 H TYR A 49 13.946 1.366 -8.393 1.00 0.00 H new ATOM 0 HA TYR A 49 13.578 -1.554 -8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.761 0.311 -8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.399 0.993 -10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.795 -0.878 -12.140 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.973 -1.181 -8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.455 -2.493 -13.463 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.637 -2.800 -10.237 1.00 0.00 H new ATOM 0 HH TYR A 49 9.809 -4.155 -13.266 1.00 0.00 H new ATOM 831 N GLU A 50 14.621 0.498 -11.298 1.00 0.00 N ATOM 832 CA GLU A 50 15.445 0.503 -12.542 1.00 0.00 C ATOM 833 C GLU A 50 16.874 0.050 -12.232 1.00 0.00 C ATOM 834 O GLU A 50 17.319 -0.985 -12.685 1.00 0.00 O ATOM 835 CB GLU A 50 15.436 1.955 -13.016 1.00 0.00 C ATOM 836 CG GLU A 50 15.794 2.009 -14.503 1.00 0.00 C ATOM 837 CD GLU A 50 14.603 2.551 -15.295 1.00 0.00 C ATOM 838 OE1 GLU A 50 13.795 3.249 -14.706 1.00 0.00 O ATOM 839 OE2 GLU A 50 14.521 2.260 -16.476 1.00 0.00 O ATOM 0 H GLU A 50 14.171 1.385 -11.072 1.00 0.00 H new ATOM 0 HA GLU A 50 15.053 -0.176 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.453 2.396 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.150 2.542 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.666 2.646 -14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.060 1.014 -14.860 1.00 0.00 H new ATOM 846 N ASP A 51 17.595 0.818 -11.464 1.00 0.00 N ATOM 847 CA ASP A 51 18.990 0.432 -11.125 1.00 0.00 C ATOM 848 C ASP A 51 18.987 -0.636 -10.029 1.00 0.00 C ATOM 849 O ASP A 51 19.671 -1.636 -10.118 1.00 0.00 O ATOM 850 CB ASP A 51 19.637 1.721 -10.622 1.00 0.00 C ATOM 851 CG ASP A 51 19.496 2.812 -11.687 1.00 0.00 C ATOM 852 OD1 ASP A 51 20.032 2.630 -12.767 1.00 0.00 O ATOM 853 OD2 ASP A 51 18.855 3.810 -11.404 1.00 0.00 O ATOM 0 H ASP A 51 17.277 1.697 -11.057 1.00 0.00 H new ATOM 0 HA ASP A 51 19.527 0.010 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.163 2.040 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.690 1.549 -10.399 1.00 0.00 H new ATOM 858 N GLY A 52 18.219 -0.428 -8.993 1.00 0.00 N ATOM 859 CA GLY A 52 18.167 -1.428 -7.888 1.00 0.00 C ATOM 860 C GLY A 52 19.572 -1.643 -7.322 1.00 0.00 C ATOM 861 O GLY A 52 19.825 -2.598 -6.615 1.00 0.00 O ATOM 0 H GLY A 52 17.625 0.391 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.497 -1.081 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.764 -2.371 -8.257 1.00 0.00 H new ATOM 865 N THR A 53 20.488 -0.766 -7.628 1.00 0.00 N ATOM 866 CA THR A 53 21.876 -0.932 -7.104 1.00 0.00 C ATOM 867 C THR A 53 21.902 -0.785 -5.574 1.00 0.00 C ATOM 868 O THR A 53 22.020 -1.761 -4.859 1.00 0.00 O ATOM 869 CB THR A 53 22.722 0.149 -7.800 1.00 0.00 C ATOM 870 OG1 THR A 53 23.943 0.317 -7.092 1.00 0.00 O ATOM 871 CG2 THR A 53 21.971 1.484 -7.859 1.00 0.00 C ATOM 0 H THR A 53 20.338 0.055 -8.215 1.00 0.00 H new ATOM 0 HA THR A 53 22.273 -1.925 -7.314 1.00 0.00 H new ATOM 0 HB THR A 53 22.924 -0.172 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.058 1.262 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.592 2.229 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 53 21.043 1.355 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.743 1.818 -6.847 1.00 0.00 H new ATOM 879 N GLU A 54 21.793 0.410 -5.057 1.00 0.00 N ATOM 880 CA GLU A 54 21.813 0.582 -3.577 1.00 0.00 C ATOM 881 C GLU A 54 20.795 1.645 -3.153 1.00 0.00 C ATOM 882 O GLU A 54 20.615 2.645 -3.818 1.00 0.00 O ATOM 883 CB GLU A 54 23.235 1.042 -3.253 1.00 0.00 C ATOM 884 CG GLU A 54 23.464 2.438 -3.837 1.00 0.00 C ATOM 885 CD GLU A 54 24.732 2.433 -4.692 1.00 0.00 C ATOM 886 OE1 GLU A 54 25.761 2.016 -4.189 1.00 0.00 O ATOM 887 OE2 GLU A 54 24.651 2.850 -5.837 1.00 0.00 O ATOM 0 H GLU A 54 21.691 1.271 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 54 21.550 -0.336 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.387 1.058 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.959 0.340 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.607 2.736 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.557 3.169 -3.034 1.00 0.00 H new ATOM 894 N LEU A 55 20.132 1.437 -2.050 1.00 0.00 N ATOM 895 CA LEU A 55 19.130 2.438 -1.585 1.00 0.00 C ATOM 896 C LEU A 55 19.210 2.596 -0.065 1.00 0.00 C ATOM 897 O LEU A 55 18.914 1.682 0.680 1.00 0.00 O ATOM 898 CB LEU A 55 17.773 1.864 -1.996 1.00 0.00 C ATOM 899 CG LEU A 55 16.698 2.945 -1.870 1.00 0.00 C ATOM 900 CD1 LEU A 55 16.525 3.332 -0.400 1.00 0.00 C ATOM 901 CD2 LEU A 55 17.118 4.176 -2.675 1.00 0.00 C ATOM 0 H LEU A 55 20.240 0.619 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 55 19.300 3.424 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 17.817 1.499 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.521 1.012 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 55 15.753 2.561 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.758 4.102 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.224 2.456 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.469 3.714 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 16.353 4.947 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.064 4.557 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.237 3.902 -3.723 1.00 0.00 H new ATOM 913 N THR A 56 19.608 3.748 0.401 1.00 0.00 N ATOM 914 CA THR A 56 19.706 3.961 1.873 1.00 0.00 C ATOM 915 C THR A 56 18.363 4.447 2.425 1.00 0.00 C ATOM 916 O THR A 56 17.916 5.537 2.128 1.00 0.00 O ATOM 917 CB THR A 56 20.782 5.035 2.047 1.00 0.00 C ATOM 918 OG1 THR A 56 20.944 5.322 3.428 1.00 0.00 O ATOM 919 CG2 THR A 56 20.365 6.305 1.305 1.00 0.00 C ATOM 0 H THR A 56 19.869 4.550 -0.173 1.00 0.00 H new ATOM 0 HA THR A 56 19.956 3.046 2.409 1.00 0.00 H new ATOM 0 HB THR A 56 21.725 4.673 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.634 6.009 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.133 7.068 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.243 6.084 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 56 19.421 6.670 1.710 1.00 0.00 H new ATOM 927 N GLU A 57 17.715 3.644 3.226 1.00 0.00 N ATOM 928 CA GLU A 57 16.399 4.057 3.794 1.00 0.00 C ATOM 929 C GLU A 57 16.471 5.497 4.312 1.00 0.00 C ATOM 930 O GLU A 57 15.483 6.202 4.354 1.00 0.00 O ATOM 931 CB GLU A 57 16.141 3.085 4.946 1.00 0.00 C ATOM 932 CG GLU A 57 16.084 1.655 4.409 1.00 0.00 C ATOM 933 CD GLU A 57 15.369 0.758 5.421 1.00 0.00 C ATOM 934 OE1 GLU A 57 14.900 1.282 6.419 1.00 0.00 O ATOM 935 OE2 GLU A 57 15.302 -0.437 5.184 1.00 0.00 O ATOM 0 H GLU A 57 18.040 2.720 3.511 1.00 0.00 H new ATOM 0 HA GLU A 57 15.603 4.028 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.931 3.172 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.204 3.335 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.559 1.635 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.092 1.283 4.226 1.00 0.00 H new ATOM 942 N ASP A 58 17.633 5.936 4.712 1.00 0.00 N ATOM 943 CA ASP A 58 17.767 7.328 5.230 1.00 0.00 C ATOM 944 C ASP A 58 16.970 8.301 4.356 1.00 0.00 C ATOM 945 O ASP A 58 15.979 8.862 4.780 1.00 0.00 O ATOM 946 CB ASP A 58 19.262 7.638 5.152 1.00 0.00 C ATOM 947 CG ASP A 58 19.576 8.862 6.015 1.00 0.00 C ATOM 948 OD1 ASP A 58 19.017 8.959 7.096 1.00 0.00 O ATOM 949 OD2 ASP A 58 20.368 9.681 5.581 1.00 0.00 O ATOM 0 H ASP A 58 18.495 5.391 4.703 1.00 0.00 H new ATOM 0 HA ASP A 58 17.382 7.428 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.840 6.780 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.552 7.825 4.118 1.00 0.00 H new ATOM 954 N TYR A 59 17.395 8.506 3.139 1.00 0.00 N ATOM 955 CA TYR A 59 16.662 9.444 2.241 1.00 0.00 C ATOM 956 C TYR A 59 16.506 8.827 0.848 1.00 0.00 C ATOM 957 O TYR A 59 17.099 7.813 0.539 1.00 0.00 O ATOM 958 CB TYR A 59 17.540 10.696 2.177 1.00 0.00 C ATOM 959 CG TYR A 59 16.986 11.652 1.148 1.00 0.00 C ATOM 960 CD1 TYR A 59 15.745 12.265 1.355 1.00 0.00 C ATOM 961 CD2 TYR A 59 17.716 11.928 -0.014 1.00 0.00 C ATOM 962 CE1 TYR A 59 15.233 13.154 0.402 1.00 0.00 C ATOM 963 CE2 TYR A 59 17.206 12.816 -0.968 1.00 0.00 C ATOM 964 CZ TYR A 59 15.963 13.429 -0.760 1.00 0.00 C ATOM 965 OH TYR A 59 15.460 14.305 -1.700 1.00 0.00 O ATOM 0 H TYR A 59 18.218 8.065 2.728 1.00 0.00 H new ATOM 0 HA TYR A 59 15.659 9.667 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 17.575 11.178 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.563 10.422 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.181 12.052 2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.674 11.455 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.276 13.627 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.770 13.029 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 59 16.092 14.384 -2.445 1.00 0.00 H new ATOM 975 N PHE A 60 15.712 9.430 0.007 1.00 0.00 N ATOM 976 CA PHE A 60 15.521 8.875 -1.364 1.00 0.00 C ATOM 977 C PHE A 60 16.698 9.273 -2.260 1.00 0.00 C ATOM 978 O PHE A 60 17.283 10.324 -2.086 1.00 0.00 O ATOM 979 CB PHE A 60 14.225 9.507 -1.872 1.00 0.00 C ATOM 980 CG PHE A 60 13.106 9.217 -0.901 1.00 0.00 C ATOM 981 CD1 PHE A 60 13.126 8.043 -0.138 1.00 0.00 C ATOM 982 CD2 PHE A 60 12.046 10.122 -0.765 1.00 0.00 C ATOM 983 CE1 PHE A 60 12.086 7.774 0.761 1.00 0.00 C ATOM 984 CE2 PHE A 60 11.007 9.854 0.133 1.00 0.00 C ATOM 985 CZ PHE A 60 11.027 8.680 0.896 1.00 0.00 C ATOM 0 H PHE A 60 15.188 10.281 0.208 1.00 0.00 H new ATOM 0 HA PHE A 60 15.470 7.786 -1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 60 14.353 10.584 -1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.977 9.111 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.943 7.345 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.030 11.027 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 60 12.101 6.869 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.190 10.552 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.225 8.473 1.589 1.00 0.00 H new ATOM 995 N PRO A 61 17.003 8.415 -3.194 1.00 0.00 N ATOM 996 CA PRO A 61 18.121 8.676 -4.132 1.00 0.00 C ATOM 997 C PRO A 61 17.730 9.759 -5.141 1.00 0.00 C ATOM 998 O PRO A 61 17.310 9.472 -6.243 1.00 0.00 O ATOM 999 CB PRO A 61 18.328 7.333 -4.826 1.00 0.00 C ATOM 1000 CG PRO A 61 17.009 6.633 -4.718 1.00 0.00 C ATOM 1001 CD PRO A 61 16.344 7.132 -3.461 1.00 0.00 C ATOM 0 HA PRO A 61 19.022 9.036 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.619 7.468 -5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.120 6.759 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.390 6.842 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.148 5.553 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 61 15.270 7.257 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.479 6.435 -2.634 1.00 0.00 H new ATOM 1009 N SER A 62 17.865 11.004 -4.770 1.00 0.00 N ATOM 1010 CA SER A 62 17.501 12.107 -5.706 1.00 0.00 C ATOM 1011 C SER A 62 16.165 11.804 -6.391 1.00 0.00 C ATOM 1012 O SER A 62 15.942 12.174 -7.526 1.00 0.00 O ATOM 1013 CB SER A 62 18.633 12.152 -6.735 1.00 0.00 C ATOM 1014 OG SER A 62 19.447 10.995 -6.597 1.00 0.00 O ATOM 0 H SER A 62 18.212 11.305 -3.859 1.00 0.00 H new ATOM 0 HA SER A 62 17.384 13.060 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.221 12.201 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.233 13.051 -6.592 1.00 0.00 H new ATOM 0 HG SER A 62 20.171 11.023 -7.257 1.00 0.00 H new ATOM 1020 N VAL A 63 15.275 11.136 -5.709 1.00 0.00 N ATOM 1021 CA VAL A 63 13.953 10.815 -6.322 1.00 0.00 C ATOM 1022 C VAL A 63 12.829 11.121 -5.328 1.00 0.00 C ATOM 1023 O VAL A 63 12.306 10.232 -4.684 1.00 0.00 O ATOM 1024 CB VAL A 63 14.014 9.319 -6.628 1.00 0.00 C ATOM 1025 CG1 VAL A 63 14.126 8.532 -5.320 1.00 0.00 C ATOM 1026 CG2 VAL A 63 12.744 8.896 -7.368 1.00 0.00 C ATOM 0 H VAL A 63 15.405 10.799 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 63 13.753 11.403 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 63 14.884 9.114 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 63 14.169 7.465 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.032 8.831 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.257 8.739 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.788 7.829 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.874 9.103 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.664 9.454 -8.301 1.00 0.00 H new ATOM 1036 N PRO A 64 12.500 12.380 -5.235 1.00 0.00 N ATOM 1037 CA PRO A 64 11.432 12.827 -4.307 1.00 0.00 C ATOM 1038 C PRO A 64 10.042 12.533 -4.885 1.00 0.00 C ATOM 1039 O PRO A 64 9.181 12.009 -4.209 1.00 0.00 O ATOM 1040 CB PRO A 64 11.661 14.331 -4.202 1.00 0.00 C ATOM 1041 CG PRO A 64 12.360 14.716 -5.469 1.00 0.00 C ATOM 1042 CD PRO A 64 13.093 13.498 -5.976 1.00 0.00 C ATOM 0 HA PRO A 64 11.469 12.318 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.717 14.866 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.266 14.576 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.642 15.067 -6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.057 15.534 -5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.963 13.375 -7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.165 13.573 -5.791 1.00 0.00 H new ATOM 1050 N ASP A 65 9.815 12.878 -6.124 1.00 0.00 N ATOM 1051 CA ASP A 65 8.476 12.630 -6.737 1.00 0.00 C ATOM 1052 C ASP A 65 7.944 11.252 -6.329 1.00 0.00 C ATOM 1053 O ASP A 65 6.911 11.138 -5.700 1.00 0.00 O ATOM 1054 CB ASP A 65 8.716 12.688 -8.245 1.00 0.00 C ATOM 1055 CG ASP A 65 9.345 14.034 -8.609 1.00 0.00 C ATOM 1056 OD1 ASP A 65 9.033 15.010 -7.947 1.00 0.00 O ATOM 1057 OD2 ASP A 65 10.128 14.067 -9.544 1.00 0.00 O ATOM 0 H ASP A 65 10.498 13.321 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 65 7.735 13.360 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.372 11.873 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.775 12.558 -8.779 1.00 0.00 H new ATOM 1062 N ASN A 66 8.639 10.205 -6.679 1.00 0.00 N ATOM 1063 CA ASN A 66 8.168 8.840 -6.304 1.00 0.00 C ATOM 1064 C ASN A 66 9.349 7.957 -5.902 1.00 0.00 C ATOM 1065 O ASN A 66 10.398 7.986 -6.516 1.00 0.00 O ATOM 1066 CB ASN A 66 7.489 8.288 -7.559 1.00 0.00 C ATOM 1067 CG ASN A 66 8.353 8.590 -8.785 1.00 0.00 C ATOM 1068 OD1 ASN A 66 7.818 9.190 -9.813 1.00 0.00 O flip ATOM 1069 ND2 ASN A 66 9.526 8.275 -8.808 1.00 0.00 N flip ATOM 0 H ASN A 66 9.511 10.234 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 66 7.489 8.865 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.341 7.212 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.502 8.736 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.944 7.806 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.093 8.479 -9.631 1.00 0.00 H new ATOM 1076 N ALA A 67 9.185 7.166 -4.880 1.00 0.00 N ATOM 1077 CA ALA A 67 10.292 6.272 -4.443 1.00 0.00 C ATOM 1078 C ALA A 67 9.855 4.810 -4.559 1.00 0.00 C ATOM 1079 O ALA A 67 9.543 4.165 -3.578 1.00 0.00 O ATOM 1080 CB ALA A 67 10.554 6.645 -2.983 1.00 0.00 C ATOM 0 H ALA A 67 8.330 7.100 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 67 11.187 6.388 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.360 6.027 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.839 7.695 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.650 6.479 -2.397 1.00 0.00 H new ATOM 1086 N GLU A 68 9.827 4.284 -5.753 1.00 0.00 N ATOM 1087 CA GLU A 68 9.407 2.865 -5.935 1.00 0.00 C ATOM 1088 C GLU A 68 10.586 1.927 -5.667 1.00 0.00 C ATOM 1089 O GLU A 68 11.279 1.511 -6.573 1.00 0.00 O ATOM 1090 CB GLU A 68 8.968 2.766 -7.397 1.00 0.00 C ATOM 1091 CG GLU A 68 7.990 3.898 -7.714 1.00 0.00 C ATOM 1092 CD GLU A 68 7.347 3.649 -9.079 1.00 0.00 C ATOM 1093 OE1 GLU A 68 7.190 2.494 -9.436 1.00 0.00 O ATOM 1094 OE2 GLU A 68 7.022 4.619 -9.745 1.00 0.00 O ATOM 0 H GLU A 68 10.077 4.776 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 68 8.610 2.579 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.836 2.827 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.496 1.801 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.221 3.956 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.512 4.855 -7.715 1.00 0.00 H new ATOM 1101 N LEU A 69 10.819 1.593 -4.428 1.00 0.00 N ATOM 1102 CA LEU A 69 11.954 0.683 -4.106 1.00 0.00 C ATOM 1103 C LEU A 69 11.480 -0.772 -4.093 1.00 0.00 C ATOM 1104 O LEU A 69 10.450 -1.096 -3.536 1.00 0.00 O ATOM 1105 CB LEU A 69 12.420 1.106 -2.712 1.00 0.00 C ATOM 1106 CG LEU A 69 13.077 2.486 -2.784 1.00 0.00 C ATOM 1107 CD1 LEU A 69 14.084 2.518 -3.936 1.00 0.00 C ATOM 1108 CD2 LEU A 69 12.003 3.547 -3.020 1.00 0.00 C ATOM 0 H LEU A 69 10.274 1.910 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 69 12.756 0.749 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.573 1.131 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.127 0.376 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 69 13.594 2.689 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.550 3.502 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.851 1.761 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.569 2.314 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.469 4.531 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.487 3.340 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.286 3.528 -2.199 1.00 0.00 H new ATOM 1120 N VAL A 70 12.227 -1.652 -4.700 1.00 0.00 N ATOM 1121 CA VAL A 70 11.825 -3.087 -4.719 1.00 0.00 C ATOM 1122 C VAL A 70 12.682 -3.876 -3.728 1.00 0.00 C ATOM 1123 O VAL A 70 13.879 -4.000 -3.893 1.00 0.00 O ATOM 1124 CB VAL A 70 12.088 -3.552 -6.151 1.00 0.00 C ATOM 1125 CG1 VAL A 70 11.623 -5.000 -6.312 1.00 0.00 C ATOM 1126 CG2 VAL A 70 11.315 -2.658 -7.124 1.00 0.00 C ATOM 0 H VAL A 70 13.099 -1.440 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 70 10.784 -3.235 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 70 13.155 -3.488 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.811 -5.331 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.170 -5.637 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.556 -5.065 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.501 -2.987 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.248 -2.724 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.645 -1.625 -7.010 1.00 0.00 H new ATOM 1136 N LEU A 71 12.085 -4.403 -2.693 1.00 0.00 N ATOM 1137 CA LEU A 71 12.879 -5.170 -1.696 1.00 0.00 C ATOM 1138 C LEU A 71 13.847 -6.109 -2.417 1.00 0.00 C ATOM 1139 O LEU A 71 13.496 -6.758 -3.382 1.00 0.00 O ATOM 1140 CB LEU A 71 11.849 -5.953 -0.875 1.00 0.00 C ATOM 1141 CG LEU A 71 11.333 -7.155 -1.664 1.00 0.00 C ATOM 1142 CD1 LEU A 71 12.345 -8.300 -1.582 1.00 0.00 C ATOM 1143 CD2 LEU A 71 10.008 -7.618 -1.053 1.00 0.00 C ATOM 0 H LEU A 71 11.086 -4.335 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 71 13.484 -4.527 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.300 -6.290 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.017 -5.301 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 71 11.189 -6.871 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.973 -9.155 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.297 -7.975 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.487 -8.586 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.631 -8.476 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.166 -7.901 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.282 -6.807 -1.102 1.00 0.00 H new ATOM 1155 N LEU A 72 15.069 -6.176 -1.966 1.00 0.00 N ATOM 1156 CA LEU A 72 16.062 -7.063 -2.637 1.00 0.00 C ATOM 1157 C LEU A 72 16.887 -7.827 -1.598 1.00 0.00 C ATOM 1158 O LEU A 72 17.593 -7.242 -0.801 1.00 0.00 O ATOM 1159 CB LEU A 72 16.951 -6.107 -3.441 1.00 0.00 C ATOM 1160 CG LEU A 72 18.204 -6.836 -3.943 1.00 0.00 C ATOM 1161 CD1 LEU A 72 19.236 -6.923 -2.817 1.00 0.00 C ATOM 1162 CD2 LEU A 72 17.837 -8.248 -4.410 1.00 0.00 C ATOM 0 H LEU A 72 15.423 -5.656 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 72 15.589 -7.815 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.393 -5.706 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.240 -5.260 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 72 18.626 -6.280 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.125 -7.441 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.508 -5.918 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.812 -7.472 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.733 -8.758 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.407 -8.806 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.110 -8.186 -5.220 1.00 0.00 H new ATOM 1174 N THR A 73 16.810 -9.130 -1.605 1.00 0.00 N ATOM 1175 CA THR A 73 17.598 -9.926 -0.622 1.00 0.00 C ATOM 1176 C THR A 73 18.005 -11.269 -1.236 1.00 0.00 C ATOM 1177 O THR A 73 17.383 -12.285 -0.998 1.00 0.00 O ATOM 1178 CB THR A 73 16.655 -10.143 0.563 1.00 0.00 C ATOM 1179 OG1 THR A 73 17.281 -10.992 1.513 1.00 0.00 O ATOM 1180 CG2 THR A 73 15.358 -10.791 0.075 1.00 0.00 C ATOM 0 H THR A 73 16.237 -9.677 -2.248 1.00 0.00 H new ATOM 0 HA THR A 73 18.516 -9.420 -0.323 1.00 0.00 H new ATOM 0 HB THR A 73 16.426 -9.183 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.172 -10.644 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.688 -10.945 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.878 -10.139 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.583 -11.751 -0.389 1.00 0.00 H new ATOM 1188 N LEU A 74 19.048 -11.281 -2.022 1.00 0.00 N ATOM 1189 CA LEU A 74 19.495 -12.558 -2.648 1.00 0.00 C ATOM 1190 C LEU A 74 21.024 -12.554 -2.763 1.00 0.00 C ATOM 1191 O LEU A 74 21.655 -11.518 -2.699 1.00 0.00 O ATOM 1192 CB LEU A 74 18.839 -12.563 -4.036 1.00 0.00 C ATOM 1193 CG LEU A 74 18.615 -14.001 -4.536 1.00 0.00 C ATOM 1194 CD1 LEU A 74 19.937 -14.613 -4.999 1.00 0.00 C ATOM 1195 CD2 LEU A 74 18.025 -14.858 -3.412 1.00 0.00 C ATOM 0 H LEU A 74 19.609 -10.462 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 74 19.217 -13.440 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.885 -12.037 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.470 -12.023 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 74 17.921 -13.973 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.764 -15.630 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.351 -14.014 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 74 20.641 -14.631 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.869 -15.875 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.714 -14.875 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.072 -14.436 -3.095 1.00 0.00 H new ATOM 1207 N GLY A 75 21.625 -13.700 -2.929 1.00 0.00 N ATOM 1208 CA GLY A 75 23.113 -13.754 -3.045 1.00 0.00 C ATOM 1209 C GLY A 75 23.611 -12.621 -3.949 1.00 0.00 C ATOM 1210 O GLY A 75 24.744 -12.190 -3.850 1.00 0.00 O ATOM 0 H GLY A 75 21.152 -14.602 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.566 -13.668 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.419 -14.717 -3.453 1.00 0.00 H new ATOM 1214 N GLN A 76 22.779 -12.133 -4.831 1.00 0.00 N ATOM 1215 CA GLN A 76 23.209 -11.032 -5.739 1.00 0.00 C ATOM 1216 C GLN A 76 22.214 -9.872 -5.663 1.00 0.00 C ATOM 1217 O GLN A 76 21.078 -10.040 -5.266 1.00 0.00 O ATOM 1218 CB GLN A 76 23.219 -11.653 -7.138 1.00 0.00 C ATOM 1219 CG GLN A 76 21.787 -11.748 -7.674 1.00 0.00 C ATOM 1220 CD GLN A 76 21.728 -12.791 -8.791 1.00 0.00 C ATOM 1221 OE1 GLN A 76 22.550 -13.684 -8.848 1.00 0.00 O ATOM 1222 NE2 GLN A 76 20.785 -12.715 -9.690 1.00 0.00 N ATOM 0 H GLN A 76 21.819 -12.451 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 76 24.185 -10.627 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 76 23.829 -11.049 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 76 23.670 -12.645 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 76 21.104 -12.022 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.463 -10.778 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.095 -11.966 -9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.738 -13.405 -10.440 1.00 0.00 H new ATOM 1231 N ALA A 77 22.630 -8.697 -6.041 1.00 0.00 N ATOM 1232 CA ALA A 77 21.705 -7.529 -5.992 1.00 0.00 C ATOM 1233 C ALA A 77 20.770 -7.551 -7.204 1.00 0.00 C ATOM 1234 O ALA A 77 21.001 -8.257 -8.164 1.00 0.00 O ATOM 1235 CB ALA A 77 22.614 -6.301 -6.031 1.00 0.00 C ATOM 0 H ALA A 77 23.570 -8.493 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 77 21.073 -7.535 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 77 22.006 -5.397 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 77 23.285 -6.318 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.200 -6.311 -6.950 1.00 0.00 H new ATOM 1241 N TRP A 78 19.715 -6.786 -7.165 1.00 0.00 N ATOM 1242 CA TRP A 78 18.766 -6.768 -8.314 1.00 0.00 C ATOM 1243 C TRP A 78 19.312 -5.882 -9.435 1.00 0.00 C ATOM 1244 O TRP A 78 19.952 -4.878 -9.191 1.00 0.00 O ATOM 1245 CB TRP A 78 17.471 -6.186 -7.748 1.00 0.00 C ATOM 1246 CG TRP A 78 16.480 -5.998 -8.852 1.00 0.00 C ATOM 1247 CD1 TRP A 78 16.072 -4.803 -9.335 1.00 0.00 C ATOM 1248 CD2 TRP A 78 15.767 -7.014 -9.616 1.00 0.00 C ATOM 1249 NE1 TRP A 78 15.154 -5.020 -10.347 1.00 0.00 N ATOM 1250 CE2 TRP A 78 14.934 -6.366 -10.558 1.00 0.00 C ATOM 1251 CE3 TRP A 78 15.763 -8.420 -9.583 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 14.123 -7.088 -11.436 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 14.950 -9.150 -10.465 1.00 0.00 C ATOM 1254 CH2 TRP A 78 14.132 -8.486 -11.390 1.00 0.00 C ATOM 0 H TRP A 78 19.469 -6.173 -6.388 1.00 0.00 H new ATOM 0 HA TRP A 78 18.613 -7.759 -8.741 1.00 0.00 H new ATOM 0 HB2 TRP A 78 17.062 -6.853 -6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 78 17.672 -5.232 -7.260 1.00 0.00 H new ATOM 0 HD1 TRP A 78 16.408 -3.837 -8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 78 14.696 -4.276 -10.873 1.00 0.00 H new ATOM 0 HE3 TRP A 78 16.389 -8.942 -8.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 13.494 -6.571 -12.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 14.955 -10.229 -10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 78 13.510 -9.053 -12.066 1.00 0.00 H new ATOM 1265 N GLN A 79 19.070 -6.248 -10.663 1.00 0.00 N ATOM 1266 CA GLN A 79 19.577 -5.427 -11.799 1.00 0.00 C ATOM 1267 C GLN A 79 18.558 -5.418 -12.941 1.00 0.00 C ATOM 1268 O GLN A 79 18.742 -6.061 -13.955 1.00 0.00 O ATOM 1269 CB GLN A 79 20.868 -6.116 -12.240 1.00 0.00 C ATOM 1270 CG GLN A 79 21.525 -5.302 -13.355 1.00 0.00 C ATOM 1271 CD GLN A 79 22.045 -6.250 -14.438 1.00 0.00 C ATOM 1272 OE1 GLN A 79 23.237 -6.358 -14.646 1.00 0.00 O ATOM 1273 NE2 GLN A 79 21.194 -6.946 -15.139 1.00 0.00 N ATOM 0 H GLN A 79 18.543 -7.080 -10.929 1.00 0.00 H new ATOM 0 HA GLN A 79 19.745 -4.388 -11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.549 -6.211 -11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.653 -7.125 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.806 -4.603 -13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 79 22.345 -4.708 -12.952 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.193 -6.855 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.529 -7.582 -15.863 1.00 0.00 H new ATOM 1282 N GLY A 80 17.483 -4.696 -12.782 1.00 0.00 N ATOM 1283 CA GLY A 80 16.454 -4.647 -13.857 1.00 0.00 C ATOM 1284 C GLY A 80 16.815 -3.549 -14.858 1.00 0.00 C ATOM 1285 O GLY A 80 17.517 -2.609 -14.538 1.00 0.00 O ATOM 0 H GLY A 80 17.273 -4.138 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.395 -5.611 -14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.472 -4.453 -13.426 1.00 0.00 H new ATOM 1416 N LYS B 19 -12.845 13.132 3.874 1.00 0.00 N ATOM 1417 CA LYS B 19 -12.698 12.949 2.401 1.00 0.00 C ATOM 1418 C LYS B 19 -13.614 11.819 1.926 1.00 0.00 C ATOM 1419 O LYS B 19 -13.353 10.660 2.182 1.00 0.00 O ATOM 1420 CB LYS B 19 -11.228 12.575 2.196 1.00 0.00 C ATOM 1421 CG LYS B 19 -10.863 12.727 0.717 1.00 0.00 C ATOM 1422 CD LYS B 19 -9.418 12.272 0.499 1.00 0.00 C ATOM 1423 CE LYS B 19 -8.460 13.396 0.905 1.00 0.00 C ATOM 1424 NZ LYS B 19 -8.906 14.583 0.124 1.00 0.00 N ATOM 0 HA LYS B 19 -12.971 13.841 1.838 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -10.591 13.215 2.806 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -11.054 11.549 2.521 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -11.539 12.134 0.102 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -10.979 13.766 0.408 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -9.215 11.377 1.087 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.263 12.008 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.508 13.588 1.977 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -7.427 13.137 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -8.077 15.145 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -9.416 14.268 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.537 15.167 0.709 1.00 0.00 H new ATOM 1438 N PRO B 20 -14.665 12.199 1.253 1.00 0.00 N ATOM 1439 CA PRO B 20 -15.643 11.207 0.740 1.00 0.00 C ATOM 1440 C PRO B 20 -15.032 10.388 -0.400 1.00 0.00 C ATOM 1441 O PRO B 20 -14.937 10.841 -1.523 1.00 0.00 O ATOM 1442 CB PRO B 20 -16.799 12.071 0.240 1.00 0.00 C ATOM 1443 CG PRO B 20 -16.182 13.400 -0.059 1.00 0.00 C ATOM 1444 CD PRO B 20 -15.039 13.573 0.905 1.00 0.00 C ATOM 0 HA PRO B 20 -15.955 10.483 1.493 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -17.259 11.640 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -17.582 12.159 0.993 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -15.829 13.440 -1.089 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -16.912 14.201 0.059 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -14.208 14.110 0.448 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -15.340 14.141 1.785 1.00 0.00 H new ATOM 1452 N CYS B 21 -14.618 9.183 -0.116 1.00 0.00 N ATOM 1453 CA CYS B 21 -14.012 8.331 -1.180 1.00 0.00 C ATOM 1454 C CYS B 21 -15.050 7.345 -1.724 1.00 0.00 C ATOM 1455 O CYS B 21 -16.162 7.272 -1.241 1.00 0.00 O ATOM 1456 CB CYS B 21 -12.872 7.582 -0.489 1.00 0.00 C ATOM 1457 SG CYS B 21 -11.872 8.752 0.465 1.00 0.00 S ATOM 0 H CYS B 21 -14.673 8.751 0.807 1.00 0.00 H new ATOM 0 HA CYS B 21 -13.658 8.919 -2.027 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -13.275 6.811 0.168 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -12.252 7.077 -1.230 1.00 0.00 H new ATOM 0 HG CYS B 21 -12.611 9.314 1.375 1.00 0.00 H new ATOM 1463 N LEU B 22 -14.695 6.590 -2.728 1.00 0.00 N ATOM 1464 CA LEU B 22 -15.663 5.612 -3.305 1.00 0.00 C ATOM 1465 C LEU B 22 -15.100 4.189 -3.220 1.00 0.00 C ATOM 1466 O LEU B 22 -14.161 3.841 -3.907 1.00 0.00 O ATOM 1467 CB LEU B 22 -15.824 6.039 -4.765 1.00 0.00 C ATOM 1468 CG LEU B 22 -16.466 7.426 -4.822 1.00 0.00 C ATOM 1469 CD1 LEU B 22 -16.572 7.881 -6.278 1.00 0.00 C ATOM 1470 CD2 LEU B 22 -17.866 7.365 -4.206 1.00 0.00 C ATOM 0 H LEU B 22 -13.778 6.608 -3.174 1.00 0.00 H new ATOM 0 HA LEU B 22 -16.613 5.606 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -14.853 6.055 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.442 5.318 -5.300 1.00 0.00 H new ATOM 0 HG LEU B 22 -15.852 8.133 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.030 8.869 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -15.576 7.924 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -17.186 7.174 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -18.325 8.353 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.479 6.658 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -17.793 7.041 -3.168 1.00 0.00 H new ATOM 1482 N LEU B 23 -15.668 3.363 -2.382 1.00 0.00 N ATOM 1483 CA LEU B 23 -15.168 1.962 -2.256 1.00 0.00 C ATOM 1484 C LEU B 23 -15.958 1.036 -3.188 1.00 0.00 C ATOM 1485 O LEU B 23 -16.930 1.437 -3.794 1.00 0.00 O ATOM 1486 CB LEU B 23 -15.415 1.582 -0.795 1.00 0.00 C ATOM 1487 CG LEU B 23 -14.423 2.322 0.105 1.00 0.00 C ATOM 1488 CD1 LEU B 23 -12.999 2.083 -0.398 1.00 0.00 C ATOM 1489 CD2 LEU B 23 -14.728 3.822 0.073 1.00 0.00 C ATOM 0 H LEU B 23 -16.457 3.598 -1.779 1.00 0.00 H new ATOM 0 HA LEU B 23 -14.117 1.873 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -16.437 1.835 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -15.305 0.505 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 23 -14.514 1.952 1.126 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -12.293 2.610 0.244 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -12.780 1.015 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -12.907 2.453 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -14.022 4.351 0.714 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -14.637 4.190 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -15.743 3.995 0.431 1.00 0.00 H new ATOM 1501 N ARG B 24 -15.551 -0.199 -3.304 1.00 0.00 N ATOM 1502 CA ARG B 24 -16.287 -1.144 -4.197 1.00 0.00 C ATOM 1503 C ARG B 24 -16.379 -2.526 -3.541 1.00 0.00 C ATOM 1504 O ARG B 24 -15.789 -2.775 -2.508 1.00 0.00 O ATOM 1505 CB ARG B 24 -15.450 -1.211 -5.476 1.00 0.00 C ATOM 1506 CG ARG B 24 -16.259 -1.898 -6.579 1.00 0.00 C ATOM 1507 CD ARG B 24 -15.545 -1.721 -7.921 1.00 0.00 C ATOM 1508 NE ARG B 24 -15.517 -3.083 -8.524 1.00 0.00 N ATOM 1509 CZ ARG B 24 -14.685 -3.356 -9.494 1.00 0.00 C ATOM 1510 NH1 ARG B 24 -13.874 -2.436 -9.941 1.00 0.00 N ATOM 1511 NH2 ARG B 24 -14.666 -4.551 -10.018 1.00 0.00 N ATOM 0 H ARG B 24 -14.744 -0.595 -2.822 1.00 0.00 H new ATOM 0 HA ARG B 24 -17.308 -0.818 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -15.166 -0.207 -5.790 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -14.527 -1.760 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -16.374 -2.958 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -17.261 -1.472 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -16.076 -1.017 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.537 -1.329 -7.783 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.149 -3.805 -8.179 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -13.889 -1.501 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -13.226 -2.652 -10.698 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -15.300 -5.270 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -14.017 -4.766 -10.775 1.00 0.00 H new ATOM 1525 N ARG B 25 -17.117 -3.426 -4.133 1.00 0.00 N ATOM 1526 CA ARG B 25 -17.248 -4.791 -3.543 1.00 0.00 C ATOM 1527 C ARG B 25 -16.757 -5.845 -4.539 1.00 0.00 C ATOM 1528 O ARG B 25 -16.777 -5.638 -5.737 1.00 0.00 O ATOM 1529 CB ARG B 25 -18.744 -4.961 -3.271 1.00 0.00 C ATOM 1530 CG ARG B 25 -19.021 -6.379 -2.773 1.00 0.00 C ATOM 1531 CD ARG B 25 -20.522 -6.542 -2.518 1.00 0.00 C ATOM 1532 NE ARG B 25 -20.645 -7.793 -1.718 1.00 0.00 N ATOM 1533 CZ ARG B 25 -21.810 -8.165 -1.257 1.00 0.00 C ATOM 1534 NH1 ARG B 25 -22.871 -7.443 -1.495 1.00 0.00 N ATOM 1535 NH2 ARG B 25 -21.911 -9.261 -0.557 1.00 0.00 N ATOM 0 H ARG B 25 -17.635 -3.276 -4.999 1.00 0.00 H new ATOM 0 HA ARG B 25 -16.654 -4.911 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG B 25 -19.073 -4.234 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG B 25 -19.313 -4.767 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG B 25 -18.685 -7.108 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG B 25 -18.462 -6.571 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG B 25 -20.925 -5.686 -1.977 1.00 0.00 H new ATOM 0 HD3 ARG B 25 -21.075 -6.616 -3.454 1.00 0.00 H new ATOM 0 HE ARG B 25 -19.818 -8.360 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG B 25 -22.792 -6.586 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -23.779 -7.736 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -21.082 -9.825 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -22.819 -9.554 -0.196 1.00 0.00 H new ATOM 1549 N ASN B 26 -16.313 -6.974 -4.056 1.00 0.00 N ATOM 1550 CA ASN B 26 -15.820 -8.036 -4.980 1.00 0.00 C ATOM 1551 C ASN B 26 -16.981 -8.914 -5.453 1.00 0.00 C ATOM 1552 O ASN B 26 -17.012 -9.363 -6.582 1.00 0.00 O ATOM 1553 CB ASN B 26 -14.832 -8.858 -4.150 1.00 0.00 C ATOM 1554 CG ASN B 26 -14.360 -10.062 -4.967 1.00 0.00 C ATOM 1555 OD1 ASN B 26 -14.792 -11.254 -4.658 1.00 0.00 O flip ATOM 1556 ND2 ASN B 26 -13.591 -9.917 -5.896 1.00 0.00 N flip ATOM 0 H ASN B 26 -16.270 -7.207 -3.064 1.00 0.00 H new ATOM 0 HA ASN B 26 -15.356 -7.618 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -13.979 -8.242 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -15.306 -9.194 -3.228 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.253 -8.985 -6.138 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.283 -10.727 -6.434 1.00 0.00 H new ATOM 1563 N TYR B 27 -17.938 -9.162 -4.602 1.00 0.00 N ATOM 1564 CA TYR B 27 -19.094 -10.012 -5.007 1.00 0.00 C ATOM 1565 C TYR B 27 -20.034 -9.224 -5.923 1.00 0.00 C ATOM 1566 O TYR B 27 -20.777 -9.790 -6.700 1.00 0.00 O ATOM 1567 CB TYR B 27 -19.798 -10.374 -3.700 1.00 0.00 C ATOM 1568 CG TYR B 27 -18.814 -11.032 -2.762 1.00 0.00 C ATOM 1569 CD1 TYR B 27 -18.639 -12.421 -2.792 1.00 0.00 C ATOM 1570 CD2 TYR B 27 -18.076 -10.253 -1.863 1.00 0.00 C ATOM 1571 CE1 TYR B 27 -17.728 -13.030 -1.922 1.00 0.00 C ATOM 1572 CE2 TYR B 27 -17.164 -10.863 -0.993 1.00 0.00 C ATOM 1573 CZ TYR B 27 -16.990 -12.251 -1.022 1.00 0.00 C ATOM 1574 OH TYR B 27 -16.092 -12.853 -0.164 1.00 0.00 O ATOM 0 H TYR B 27 -17.970 -8.813 -3.644 1.00 0.00 H new ATOM 0 HA TYR B 27 -18.781 -10.898 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -20.213 -9.478 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -20.633 -11.046 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -19.207 -13.022 -3.487 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -18.210 -9.182 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -17.594 -14.101 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -16.595 -10.262 -0.299 1.00 0.00 H new ATOM 0 HH TYR B 27 -15.732 -13.663 -0.582 1.00 0.00 H new ATOM 1584 N SER B 28 -20.007 -7.922 -5.840 1.00 0.00 N ATOM 1585 CA SER B 28 -20.900 -7.101 -6.706 1.00 0.00 C ATOM 1586 C SER B 28 -20.067 -6.173 -7.594 1.00 0.00 C ATOM 1587 O SER B 28 -19.014 -5.706 -7.207 1.00 0.00 O ATOM 1588 CB SER B 28 -21.757 -6.290 -5.737 1.00 0.00 C ATOM 1589 OG SER B 28 -22.703 -5.527 -6.472 1.00 0.00 O ATOM 0 H SER B 28 -19.405 -7.391 -5.210 1.00 0.00 H new ATOM 0 HA SER B 28 -21.509 -7.714 -7.371 1.00 0.00 H new ATOM 0 HB2 SER B 28 -22.270 -6.956 -5.043 1.00 0.00 H new ATOM 0 HB3 SER B 28 -21.127 -5.631 -5.140 1.00 0.00 H new ATOM 0 HG SER B 28 -23.256 -5.007 -5.852 1.00 0.00 H new ATOM 1595 N ARG B 29 -20.529 -5.904 -8.785 1.00 0.00 N ATOM 1596 CA ARG B 29 -19.764 -5.008 -9.699 1.00 0.00 C ATOM 1597 C ARG B 29 -20.190 -3.550 -9.497 1.00 0.00 C ATOM 1598 O ARG B 29 -19.734 -2.659 -10.184 1.00 0.00 O ATOM 1599 CB ARG B 29 -20.124 -5.482 -11.107 1.00 0.00 C ATOM 1600 CG ARG B 29 -19.535 -4.518 -12.139 1.00 0.00 C ATOM 1601 CD ARG B 29 -20.660 -3.691 -12.767 1.00 0.00 C ATOM 1602 NE ARG B 29 -19.982 -2.810 -13.757 1.00 0.00 N ATOM 1603 CZ ARG B 29 -19.593 -3.293 -14.907 1.00 0.00 C ATOM 1604 NH1 ARG B 29 -19.796 -4.549 -15.195 1.00 0.00 N ATOM 1605 NH2 ARG B 29 -19.000 -2.515 -15.771 1.00 0.00 N ATOM 0 H ARG B 29 -21.404 -6.266 -9.165 1.00 0.00 H new ATOM 0 HA ARG B 29 -18.691 -5.050 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -19.739 -6.488 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -21.207 -5.533 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -18.807 -3.860 -11.664 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -19.004 -5.075 -12.911 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -21.399 -4.331 -13.249 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -21.188 -3.106 -12.014 1.00 0.00 H new ATOM 0 HE ARG B 29 -19.821 -1.827 -13.537 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -20.260 -5.158 -14.521 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -19.491 -4.922 -16.094 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -18.841 -1.532 -15.548 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -18.695 -2.890 -16.669 1.00 0.00 H new ATOM 1619 N GLU B 30 -21.061 -3.302 -8.557 1.00 0.00 N ATOM 1620 CA GLU B 30 -21.514 -1.902 -8.311 1.00 0.00 C ATOM 1621 C GLU B 30 -20.477 -1.151 -7.472 1.00 0.00 C ATOM 1622 O GLU B 30 -19.776 -1.734 -6.669 1.00 0.00 O ATOM 1623 CB GLU B 30 -22.829 -2.042 -7.543 1.00 0.00 C ATOM 1624 CG GLU B 30 -23.552 -0.695 -7.518 1.00 0.00 C ATOM 1625 CD GLU B 30 -24.793 -0.799 -6.629 1.00 0.00 C ATOM 1626 OE1 GLU B 30 -24.628 -0.913 -5.426 1.00 0.00 O ATOM 1627 OE2 GLU B 30 -25.888 -0.764 -7.168 1.00 0.00 O ATOM 0 H GLU B 30 -21.478 -4.007 -7.949 1.00 0.00 H new ATOM 0 HA GLU B 30 -21.641 -1.339 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -23.459 -2.796 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -22.634 -2.381 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -22.885 0.081 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -23.839 -0.405 -8.529 1.00 0.00 H new ATOM 1634 N GLN B 31 -20.374 0.139 -7.650 1.00 0.00 N ATOM 1635 CA GLN B 31 -19.379 0.922 -6.860 1.00 0.00 C ATOM 1636 C GLN B 31 -20.005 1.402 -5.547 1.00 0.00 C ATOM 1637 O GLN B 31 -21.200 1.313 -5.348 1.00 0.00 O ATOM 1638 CB GLN B 31 -19.016 2.114 -7.747 1.00 0.00 C ATOM 1639 CG GLN B 31 -17.921 2.938 -7.067 1.00 0.00 C ATOM 1640 CD GLN B 31 -17.296 3.897 -8.083 1.00 0.00 C ATOM 1641 OE1 GLN B 31 -17.974 4.737 -8.640 1.00 0.00 O ATOM 1642 NE2 GLN B 31 -16.020 3.806 -8.347 1.00 0.00 N ATOM 0 H GLN B 31 -20.934 0.683 -8.306 1.00 0.00 H new ATOM 0 HA GLN B 31 -18.503 0.329 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -18.672 1.765 -8.721 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -19.896 2.733 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -18.340 3.499 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -17.157 2.278 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -15.451 3.100 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -15.592 4.441 -9.021 1.00 0.00 H new ATOM 1651 N HIS B 32 -19.204 1.911 -4.652 1.00 0.00 N ATOM 1652 CA HIS B 32 -19.748 2.400 -3.350 1.00 0.00 C ATOM 1653 C HIS B 32 -19.223 3.809 -3.059 1.00 0.00 C ATOM 1654 O HIS B 32 -18.314 4.288 -3.706 1.00 0.00 O ATOM 1655 CB HIS B 32 -19.232 1.416 -2.298 1.00 0.00 C ATOM 1656 CG HIS B 32 -19.402 0.005 -2.788 1.00 0.00 C ATOM 1657 ND1 HIS B 32 -20.456 -0.376 -3.604 1.00 0.00 N ATOM 1658 CD2 HIS B 32 -18.659 -1.131 -2.585 1.00 0.00 C ATOM 1659 CE1 HIS B 32 -20.318 -1.690 -3.858 1.00 0.00 C ATOM 1660 NE2 HIS B 32 -19.239 -2.199 -3.260 1.00 0.00 N ATOM 0 H HIS B 32 -18.195 2.010 -4.765 1.00 0.00 H new ATOM 0 HA HIS B 32 -20.837 2.453 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS B 32 -18.181 1.613 -2.088 1.00 0.00 H new ATOM 0 HB3 HIS B 32 -19.775 1.553 -1.363 1.00 0.00 H new ATOM 0 HD1 HIS B 32 -21.201 0.230 -3.949 1.00 0.00 H new ATOM 0 HD2 HIS B 32 -17.759 -1.187 -1.990 1.00 0.00 H new ATOM 0 HE1 HIS B 32 -20.998 -2.263 -4.471 1.00 0.00 H new ATOM 1668 N GLY B 33 -19.787 4.477 -2.089 1.00 0.00 N ATOM 1669 CA GLY B 33 -19.314 5.852 -1.759 1.00 0.00 C ATOM 1670 C GLY B 33 -19.296 6.042 -0.242 1.00 0.00 C ATOM 1671 O GLY B 33 -20.315 6.282 0.375 1.00 0.00 O ATOM 0 H GLY B 33 -20.553 4.131 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -18.316 6.011 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -19.968 6.592 -2.220 1.00 0.00 H new ATOM 1675 N VAL B 34 -18.145 5.941 0.366 1.00 0.00 N ATOM 1676 CA VAL B 34 -18.063 6.120 1.845 1.00 0.00 C ATOM 1677 C VAL B 34 -17.299 7.405 2.178 1.00 0.00 C ATOM 1678 O VAL B 34 -16.700 8.022 1.320 1.00 0.00 O ATOM 1679 CB VAL B 34 -17.298 4.896 2.352 1.00 0.00 C ATOM 1680 CG1 VAL B 34 -17.464 4.784 3.869 1.00 0.00 C ATOM 1681 CG2 VAL B 34 -17.854 3.636 1.686 1.00 0.00 C ATOM 0 H VAL B 34 -17.258 5.742 -0.097 1.00 0.00 H new ATOM 0 HA VAL B 34 -19.047 6.204 2.306 1.00 0.00 H new ATOM 0 HB VAL B 34 -16.241 5.001 2.108 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -16.919 3.912 4.231 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -17.070 5.682 4.345 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -18.521 4.678 4.113 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -17.309 2.763 2.047 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -18.911 3.531 1.931 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -17.738 3.715 0.605 1.00 0.00 H new ATOM 1691 N ALA B 35 -17.316 7.813 3.418 1.00 0.00 N ATOM 1692 CA ALA B 35 -16.591 9.058 3.801 1.00 0.00 C ATOM 1693 C ALA B 35 -15.788 8.829 5.086 1.00 0.00 C ATOM 1694 O ALA B 35 -16.327 8.836 6.175 1.00 0.00 O ATOM 1695 CB ALA B 35 -17.686 10.100 4.033 1.00 0.00 C ATOM 0 H ALA B 35 -17.800 7.339 4.181 1.00 0.00 H new ATOM 0 HA ALA B 35 -15.883 9.375 3.035 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -17.231 11.048 4.320 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -18.260 10.235 3.116 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -18.349 9.760 4.829 1.00 0.00 H new ATOM 1701 N ALA B 36 -14.505 8.629 4.967 1.00 0.00 N ATOM 1702 CA ALA B 36 -13.671 8.401 6.182 1.00 0.00 C ATOM 1703 C ALA B 36 -12.351 9.167 6.072 1.00 0.00 C ATOM 1704 O ALA B 36 -11.825 9.366 4.995 1.00 0.00 O ATOM 1705 CB ALA B 36 -13.415 6.894 6.212 1.00 0.00 C ATOM 0 H ALA B 36 -13.998 8.613 4.082 1.00 0.00 H new ATOM 0 HA ALA B 36 -14.164 8.749 7.090 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -12.805 6.646 7.081 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -14.366 6.365 6.273 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -12.891 6.596 5.304 1.00 0.00 H new ATOM 1711 N SER B 37 -11.813 9.599 7.180 1.00 0.00 N ATOM 1712 CA SER B 37 -10.527 10.352 7.139 1.00 0.00 C ATOM 1713 C SER B 37 -9.345 9.384 7.248 1.00 0.00 C ATOM 1714 O SER B 37 -8.309 9.583 6.646 1.00 0.00 O ATOM 1715 CB SER B 37 -10.574 11.283 8.350 1.00 0.00 C ATOM 1716 OG SER B 37 -10.401 10.519 9.536 1.00 0.00 O ATOM 0 H SER B 37 -12.208 9.463 8.111 1.00 0.00 H new ATOM 0 HA SER B 37 -10.400 10.904 6.208 1.00 0.00 H new ATOM 0 HB2 SER B 37 -9.792 12.039 8.273 1.00 0.00 H new ATOM 0 HB3 SER B 37 -11.527 11.812 8.380 1.00 0.00 H new ATOM 0 HG SER B 37 -9.445 10.383 9.701 1.00 0.00 H new ATOM 1722 N CYS B 38 -9.494 8.336 8.013 1.00 0.00 N ATOM 1723 CA CYS B 38 -8.379 7.355 8.160 1.00 0.00 C ATOM 1724 C CYS B 38 -8.806 5.985 7.625 1.00 0.00 C ATOM 1725 O CYS B 38 -9.970 5.640 7.631 1.00 0.00 O ATOM 1726 CB CYS B 38 -8.108 7.285 9.662 1.00 0.00 C ATOM 1727 SG CYS B 38 -7.954 8.961 10.328 1.00 0.00 S ATOM 0 H CYS B 38 -10.338 8.117 8.542 1.00 0.00 H new ATOM 0 HA CYS B 38 -7.492 7.651 7.600 1.00 0.00 H new ATOM 0 HB2 CYS B 38 -8.918 6.756 10.164 1.00 0.00 H new ATOM 0 HB3 CYS B 38 -7.194 6.722 9.851 1.00 0.00 H new ATOM 0 HG CYS B 38 -7.726 8.901 11.606 1.00 0.00 H new ATOM 1733 N LEU B 39 -7.869 5.202 7.162 1.00 0.00 N ATOM 1734 CA LEU B 39 -8.218 3.854 6.623 1.00 0.00 C ATOM 1735 C LEU B 39 -9.112 3.100 7.610 1.00 0.00 C ATOM 1736 O LEU B 39 -10.254 2.798 7.323 1.00 0.00 O ATOM 1737 CB LEU B 39 -6.878 3.136 6.460 1.00 0.00 C ATOM 1738 CG LEU B 39 -6.126 3.720 5.264 1.00 0.00 C ATOM 1739 CD1 LEU B 39 -4.833 2.934 5.041 1.00 0.00 C ATOM 1740 CD2 LEU B 39 -7.004 3.623 4.015 1.00 0.00 C ATOM 0 H LEU B 39 -6.877 5.437 7.133 1.00 0.00 H new ATOM 0 HA LEU B 39 -8.767 3.916 5.684 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.282 3.246 7.366 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -7.041 2.068 6.314 1.00 0.00 H new ATOM 0 HG LEU B 39 -5.886 4.765 5.460 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.297 3.350 4.188 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -4.208 3.002 5.931 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -5.072 1.889 4.844 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.469 4.039 3.161 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -7.244 2.578 3.819 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -7.926 4.183 4.174 1.00 0.00 H new ATOM 1752 N GLU B 40 -8.599 2.789 8.770 1.00 0.00 N ATOM 1753 CA GLU B 40 -9.415 2.051 9.776 1.00 0.00 C ATOM 1754 C GLU B 40 -10.842 2.604 9.814 1.00 0.00 C ATOM 1755 O GLU B 40 -11.802 1.865 9.914 1.00 0.00 O ATOM 1756 CB GLU B 40 -8.710 2.294 11.111 1.00 0.00 C ATOM 1757 CG GLU B 40 -9.371 1.447 12.201 1.00 0.00 C ATOM 1758 CD GLU B 40 -8.884 1.912 13.574 1.00 0.00 C ATOM 1759 OE1 GLU B 40 -9.401 2.904 14.059 1.00 0.00 O ATOM 1760 OE2 GLU B 40 -8.000 1.269 14.117 1.00 0.00 O ATOM 0 H GLU B 40 -7.649 3.015 9.064 1.00 0.00 H new ATOM 0 HA GLU B 40 -9.495 0.989 9.543 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -7.654 2.038 11.028 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -8.763 3.350 11.375 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.456 1.537 12.138 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -9.129 0.394 12.055 1.00 0.00 H new ATOM 1767 N ASP B 41 -10.989 3.897 9.734 1.00 0.00 N ATOM 1768 CA ASP B 41 -12.355 4.494 9.765 1.00 0.00 C ATOM 1769 C ASP B 41 -13.081 4.213 8.445 1.00 0.00 C ATOM 1770 O ASP B 41 -14.289 4.087 8.404 1.00 0.00 O ATOM 1771 CB ASP B 41 -12.126 5.995 9.943 1.00 0.00 C ATOM 1772 CG ASP B 41 -13.459 6.685 10.241 1.00 0.00 C ATOM 1773 OD1 ASP B 41 -14.234 6.128 11.002 1.00 0.00 O ATOM 1774 OD2 ASP B 41 -13.681 7.757 9.704 1.00 0.00 O ATOM 0 H ASP B 41 -10.224 4.566 9.649 1.00 0.00 H new ATOM 0 HA ASP B 41 -12.972 4.079 10.562 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -11.423 6.172 10.757 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -11.681 6.415 9.041 1.00 0.00 H new ATOM 1779 N LEU B 42 -12.352 4.110 7.367 1.00 0.00 N ATOM 1780 CA LEU B 42 -12.998 3.833 6.053 1.00 0.00 C ATOM 1781 C LEU B 42 -13.569 2.412 6.037 1.00 0.00 C ATOM 1782 O LEU B 42 -14.672 2.180 5.583 1.00 0.00 O ATOM 1783 CB LEU B 42 -11.876 3.973 5.023 1.00 0.00 C ATOM 1784 CG LEU B 42 -12.462 3.925 3.610 1.00 0.00 C ATOM 1785 CD1 LEU B 42 -12.942 2.505 3.302 1.00 0.00 C ATOM 1786 CD2 LEU B 42 -13.643 4.894 3.514 1.00 0.00 C ATOM 0 H LEU B 42 -11.337 4.206 7.340 1.00 0.00 H new ATOM 0 HA LEU B 42 -13.826 4.511 5.847 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -11.345 4.913 5.175 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -11.149 3.172 5.153 1.00 0.00 H new ATOM 0 HG LEU B 42 -11.695 4.213 2.890 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -13.359 2.472 2.295 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -12.102 1.814 3.369 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -13.708 2.216 4.022 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -14.061 4.860 2.508 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -14.409 4.607 4.235 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -13.302 5.906 3.731 1.00 0.00 H new ATOM 1798 N ARG B 43 -12.825 1.461 6.531 1.00 0.00 N ATOM 1799 CA ARG B 43 -13.320 0.054 6.547 1.00 0.00 C ATOM 1800 C ARG B 43 -14.561 -0.058 7.433 1.00 0.00 C ATOM 1801 O ARG B 43 -15.652 -0.320 6.964 1.00 0.00 O ATOM 1802 CB ARG B 43 -12.173 -0.760 7.144 1.00 0.00 C ATOM 1803 CG ARG B 43 -12.395 -2.248 6.863 1.00 0.00 C ATOM 1804 CD ARG B 43 -11.410 -3.075 7.692 1.00 0.00 C ATOM 1805 NE ARG B 43 -11.854 -4.487 7.524 1.00 0.00 N ATOM 1806 CZ ARG B 43 -12.894 -4.932 8.180 1.00 0.00 C ATOM 1807 NH1 ARG B 43 -13.549 -4.140 8.986 1.00 0.00 N ATOM 1808 NH2 ARG B 43 -13.278 -6.170 8.030 1.00 0.00 N ATOM 0 H ARG B 43 -11.894 1.597 6.925 1.00 0.00 H new ATOM 0 HA ARG B 43 -13.601 -0.295 5.553 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -11.224 -0.437 6.716 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -12.113 -0.588 8.219 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -13.419 -2.527 7.110 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -12.256 -2.454 5.802 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -10.387 -2.939 7.341 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -11.430 -2.777 8.740 1.00 0.00 H new ATOM 0 HE ARG B 43 -11.345 -5.109 6.895 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -13.250 -3.172 9.105 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -14.360 -4.489 9.497 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -12.767 -6.790 7.401 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -14.089 -6.518 8.541 1.00 0.00 H new ATOM 1822 N SER B 44 -14.394 0.133 8.712 1.00 0.00 N ATOM 1823 CA SER B 44 -15.554 0.036 9.648 1.00 0.00 C ATOM 1824 C SER B 44 -16.804 0.662 9.024 1.00 0.00 C ATOM 1825 O SER B 44 -17.814 0.009 8.844 1.00 0.00 O ATOM 1826 CB SER B 44 -15.126 0.819 10.888 1.00 0.00 C ATOM 1827 OG SER B 44 -16.246 0.985 11.748 1.00 0.00 O ATOM 0 H SER B 44 -13.501 0.353 9.153 1.00 0.00 H new ATOM 0 HA SER B 44 -15.806 -0.998 9.881 1.00 0.00 H new ATOM 0 HB2 SER B 44 -14.328 0.290 11.409 1.00 0.00 H new ATOM 0 HB3 SER B 44 -14.728 1.791 10.599 1.00 0.00 H new ATOM 0 HG SER B 44 -15.975 1.486 12.546 1.00 0.00 H new ATOM 1833 N LYS B 45 -16.747 1.922 8.691 1.00 0.00 N ATOM 1834 CA LYS B 45 -17.934 2.583 8.081 1.00 0.00 C ATOM 1835 C LYS B 45 -18.257 1.945 6.727 1.00 0.00 C ATOM 1836 O LYS B 45 -19.404 1.822 6.345 1.00 0.00 O ATOM 1837 CB LYS B 45 -17.526 4.044 7.910 1.00 0.00 C ATOM 1838 CG LYS B 45 -17.674 4.771 9.247 1.00 0.00 C ATOM 1839 CD LYS B 45 -17.592 6.282 9.020 1.00 0.00 C ATOM 1840 CE LYS B 45 -16.184 6.772 9.362 1.00 0.00 C ATOM 1841 NZ LYS B 45 -15.876 7.801 8.331 1.00 0.00 N ATOM 0 H LYS B 45 -15.931 2.521 8.815 1.00 0.00 H new ATOM 0 HA LYS B 45 -18.828 2.482 8.696 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -16.495 4.107 7.561 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -18.149 4.521 7.153 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -18.627 4.513 9.709 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -16.890 4.453 9.934 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -17.829 6.518 7.983 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -18.328 6.794 9.640 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -16.146 7.195 10.366 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.463 5.955 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -14.894 8.125 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.996 7.390 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.522 8.608 8.443 1.00 0.00 H new ATOM 1855 N ALA B 46 -17.254 1.533 6.000 1.00 0.00 N ATOM 1856 CA ALA B 46 -17.508 0.899 4.674 1.00 0.00 C ATOM 1857 C ALA B 46 -18.201 -0.452 4.866 1.00 0.00 C ATOM 1858 O ALA B 46 -18.642 -1.076 3.920 1.00 0.00 O ATOM 1859 CB ALA B 46 -16.124 0.707 4.054 1.00 0.00 C ATOM 0 H ALA B 46 -16.272 1.608 6.266 1.00 0.00 H new ATOM 0 HA ALA B 46 -18.156 1.505 4.041 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -16.226 0.244 3.073 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -15.635 1.675 3.949 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -15.523 0.065 4.698 1.00 0.00 H new ATOM 1865 N CYS B 47 -18.300 -0.908 6.085 1.00 0.00 N ATOM 1866 CA CYS B 47 -18.963 -2.218 6.343 1.00 0.00 C ATOM 1867 C CYS B 47 -20.470 -2.023 6.526 1.00 0.00 C ATOM 1868 O CYS B 47 -21.271 -2.733 5.951 1.00 0.00 O ATOM 1869 CB CYS B 47 -18.329 -2.731 7.636 1.00 0.00 C ATOM 1870 SG CYS B 47 -18.735 -4.480 7.855 1.00 0.00 S ATOM 0 H CYS B 47 -17.950 -0.429 6.915 1.00 0.00 H new ATOM 0 HA CYS B 47 -18.833 -2.917 5.517 1.00 0.00 H new ATOM 0 HB2 CYS B 47 -17.248 -2.600 7.600 1.00 0.00 H new ATOM 0 HB3 CYS B 47 -18.692 -2.153 8.486 1.00 0.00 H new ATOM 0 HG CYS B 47 -17.988 -5.200 7.072 1.00 0.00 H new ATOM 1876 N ASP B 48 -20.864 -1.067 7.324 1.00 0.00 N ATOM 1877 CA ASP B 48 -22.322 -0.834 7.541 1.00 0.00 C ATOM 1878 C ASP B 48 -22.967 -0.292 6.262 1.00 0.00 C ATOM 1879 O ASP B 48 -24.138 -0.499 6.010 1.00 0.00 O ATOM 1880 CB ASP B 48 -22.400 0.201 8.664 1.00 0.00 C ATOM 1881 CG ASP B 48 -21.516 1.401 8.320 1.00 0.00 C ATOM 1882 OD1 ASP B 48 -21.683 1.947 7.242 1.00 0.00 O ATOM 1883 OD2 ASP B 48 -20.690 1.755 9.144 1.00 0.00 O ATOM 0 H ASP B 48 -20.242 -0.439 7.834 1.00 0.00 H new ATOM 0 HA ASP B 48 -22.851 -1.751 7.799 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -23.432 0.525 8.803 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -22.076 -0.244 9.605 1.00 0.00 H new ATOM 1888 N ILE B 49 -22.212 0.396 5.450 1.00 0.00 N ATOM 1889 CA ILE B 49 -22.785 0.945 4.187 1.00 0.00 C ATOM 1890 C ILE B 49 -22.802 -0.145 3.112 1.00 0.00 C ATOM 1891 O ILE B 49 -23.771 -0.313 2.398 1.00 0.00 O ATOM 1892 CB ILE B 49 -21.847 2.090 3.794 1.00 0.00 C ATOM 1893 CG1 ILE B 49 -22.469 2.902 2.650 1.00 0.00 C ATOM 1894 CG2 ILE B 49 -20.497 1.524 3.352 1.00 0.00 C ATOM 1895 CD1 ILE B 49 -22.380 2.123 1.335 1.00 0.00 C ATOM 0 H ILE B 49 -21.225 0.602 5.605 1.00 0.00 H new ATOM 0 HA ILE B 49 -23.812 1.291 4.304 1.00 0.00 H new ATOM 0 HB ILE B 49 -21.698 2.742 4.655 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -23.511 3.125 2.878 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -21.953 3.857 2.550 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -19.833 2.342 3.073 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -20.053 0.960 4.172 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -20.641 0.866 2.495 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -22.825 2.711 0.533 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -21.334 1.923 1.101 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -22.917 1.180 1.434 1.00 0.00 H new ATOM 1907 N LEU B 50 -21.740 -0.894 2.998 1.00 0.00 N ATOM 1908 CA LEU B 50 -21.696 -1.979 1.976 1.00 0.00 C ATOM 1909 C LEU B 50 -22.708 -3.074 2.324 1.00 0.00 C ATOM 1910 O LEU B 50 -23.143 -3.824 1.473 1.00 0.00 O ATOM 1911 CB LEU B 50 -20.270 -2.526 2.043 1.00 0.00 C ATOM 1912 CG LEU B 50 -20.047 -3.517 0.902 1.00 0.00 C ATOM 1913 CD1 LEU B 50 -19.855 -2.752 -0.410 1.00 0.00 C ATOM 1914 CD2 LEU B 50 -18.797 -4.351 1.191 1.00 0.00 C ATOM 0 H LEU B 50 -20.900 -0.802 3.569 1.00 0.00 H new ATOM 0 HA LEU B 50 -21.949 -1.619 0.979 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -19.553 -1.708 1.973 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -20.103 -3.016 3.002 1.00 0.00 H new ATOM 0 HG LEU B 50 -20.913 -4.173 0.816 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -19.696 -3.460 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -20.743 -2.155 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -18.989 -2.096 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -18.636 -5.059 0.378 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -17.932 -3.693 1.276 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -18.931 -4.896 2.125 1.00 0.00 H new ATOM 1926 N ALA B 51 -23.081 -3.174 3.570 1.00 0.00 N ATOM 1927 CA ALA B 51 -24.063 -4.224 3.972 1.00 0.00 C ATOM 1928 C ALA B 51 -23.512 -5.613 3.640 1.00 0.00 C ATOM 1929 O ALA B 51 -24.181 -6.429 3.036 1.00 0.00 O ATOM 1930 CB ALA B 51 -25.317 -3.932 3.149 1.00 0.00 C ATOM 0 H ALA B 51 -22.750 -2.576 4.327 1.00 0.00 H new ATOM 0 HA ALA B 51 -24.269 -4.210 5.042 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -26.088 -4.664 3.389 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -25.681 -2.932 3.383 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -25.078 -3.992 2.087 1.00 0.00 H new ATOM 1936 N ILE B 52 -22.298 -5.888 4.030 1.00 0.00 N ATOM 1937 CA ILE B 52 -21.702 -7.223 3.737 1.00 0.00 C ATOM 1938 C ILE B 52 -21.745 -8.106 4.989 1.00 0.00 C ATOM 1939 O ILE B 52 -21.775 -7.619 6.101 1.00 0.00 O ATOM 1940 CB ILE B 52 -20.259 -6.926 3.332 1.00 0.00 C ATOM 1941 CG1 ILE B 52 -19.595 -8.209 2.826 1.00 0.00 C ATOM 1942 CG2 ILE B 52 -19.488 -6.398 4.543 1.00 0.00 C ATOM 1943 CD1 ILE B 52 -20.078 -8.510 1.407 1.00 0.00 C ATOM 0 H ILE B 52 -21.692 -5.245 4.540 1.00 0.00 H new ATOM 0 HA ILE B 52 -22.241 -7.759 2.956 1.00 0.00 H new ATOM 0 HB ILE B 52 -20.252 -6.177 2.540 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -18.511 -8.098 2.836 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -19.836 -9.041 3.488 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -18.458 -6.186 4.255 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -19.959 -5.484 4.904 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -19.496 -7.147 5.334 1.00 0.00 H new ATOM 0 HD11 ILE B 52 -19.605 -9.424 1.048 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -21.160 -8.639 1.411 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -19.814 -7.682 0.749 1.00 0.00 H new ATOM 1955 N ASP B 53 -21.748 -9.400 4.817 1.00 0.00 N ATOM 1956 CA ASP B 53 -21.791 -10.309 6.000 1.00 0.00 C ATOM 1957 C ASP B 53 -20.435 -10.995 6.189 1.00 0.00 C ATOM 1958 O ASP B 53 -20.110 -11.463 7.263 1.00 0.00 O ATOM 1959 CB ASP B 53 -22.872 -11.339 5.670 1.00 0.00 C ATOM 1960 CG ASP B 53 -23.141 -12.208 6.899 1.00 0.00 C ATOM 1961 OD1 ASP B 53 -23.731 -11.704 7.840 1.00 0.00 O ATOM 1962 OD2 ASP B 53 -22.753 -13.365 6.878 1.00 0.00 O ATOM 0 H ASP B 53 -21.723 -9.867 3.911 1.00 0.00 H new ATOM 0 HA ASP B 53 -22.008 -9.774 6.924 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -23.787 -10.835 5.361 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -22.553 -11.962 4.834 1.00 0.00 H new ATOM 1967 N LYS B 54 -19.642 -11.058 5.155 1.00 0.00 N ATOM 1968 CA LYS B 54 -18.307 -11.711 5.270 1.00 0.00 C ATOM 1969 C LYS B 54 -17.264 -10.708 5.777 1.00 0.00 C ATOM 1970 O LYS B 54 -16.095 -10.799 5.456 1.00 0.00 O ATOM 1971 CB LYS B 54 -17.970 -12.163 3.848 1.00 0.00 C ATOM 1972 CG LYS B 54 -16.647 -12.930 3.852 1.00 0.00 C ATOM 1973 CD LYS B 54 -16.827 -14.261 3.119 1.00 0.00 C ATOM 1974 CE LYS B 54 -16.352 -15.407 4.013 1.00 0.00 C ATOM 1975 NZ LYS B 54 -17.444 -16.419 3.956 1.00 0.00 N ATOM 0 H LYS B 54 -19.862 -10.684 4.232 1.00 0.00 H new ATOM 0 HA LYS B 54 -18.312 -12.542 5.975 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -18.767 -12.796 3.458 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -17.898 -11.298 3.188 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -15.870 -12.338 3.368 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -16.321 -13.108 4.877 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -17.875 -14.403 2.854 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -16.261 -14.254 2.188 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -15.410 -15.822 3.655 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -16.182 -15.066 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -17.190 -17.237 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -18.327 -15.998 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -17.578 -16.730 2.973 1.00 0.00 H new ATOM 1989 N SER B 55 -17.676 -9.752 6.567 1.00 0.00 N ATOM 1990 CA SER B 55 -16.708 -8.746 7.093 1.00 0.00 C ATOM 1991 C SER B 55 -15.632 -9.435 7.935 1.00 0.00 C ATOM 1992 O SER B 55 -14.591 -8.873 8.210 1.00 0.00 O ATOM 1993 CB SER B 55 -17.546 -7.806 7.958 1.00 0.00 C ATOM 1994 OG SER B 55 -18.525 -7.170 7.147 1.00 0.00 O ATOM 0 H SER B 55 -18.641 -9.624 6.871 1.00 0.00 H new ATOM 0 HA SER B 55 -16.191 -8.214 6.294 1.00 0.00 H new ATOM 0 HB2 SER B 55 -18.028 -8.364 8.760 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.907 -7.060 8.429 1.00 0.00 H new ATOM 0 HG SER B 55 -18.998 -6.493 7.675 1.00 0.00 H new ATOM 2000 N LEU B 56 -15.878 -10.648 8.352 1.00 0.00 N ATOM 2001 CA LEU B 56 -14.878 -11.373 9.181 1.00 0.00 C ATOM 2002 C LEU B 56 -13.636 -11.755 8.358 1.00 0.00 C ATOM 2003 O LEU B 56 -12.732 -12.396 8.855 1.00 0.00 O ATOM 2004 CB LEU B 56 -15.625 -12.613 9.699 1.00 0.00 C ATOM 2005 CG LEU B 56 -15.715 -13.721 8.632 1.00 0.00 C ATOM 2006 CD1 LEU B 56 -16.161 -13.139 7.291 1.00 0.00 C ATOM 2007 CD2 LEU B 56 -14.355 -14.407 8.469 1.00 0.00 C ATOM 0 H LEU B 56 -16.732 -11.168 8.152 1.00 0.00 H new ATOM 0 HA LEU B 56 -14.499 -10.759 9.998 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.116 -13.000 10.582 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -16.630 -12.327 10.010 1.00 0.00 H new ATOM 0 HG LEU B 56 -16.451 -14.455 8.960 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.219 -13.936 6.550 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -17.141 -12.676 7.403 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -15.441 -12.389 6.962 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -14.430 -15.188 7.713 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -13.612 -13.672 8.159 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.054 -14.849 9.419 1.00 0.00 H new ATOM 2019 N THR B 57 -13.581 -11.370 7.110 1.00 0.00 N ATOM 2020 CA THR B 57 -12.396 -11.717 6.274 1.00 0.00 C ATOM 2021 C THR B 57 -11.443 -10.521 6.187 1.00 0.00 C ATOM 2022 O THR B 57 -11.861 -9.387 6.305 1.00 0.00 O ATOM 2023 CB THR B 57 -12.976 -12.037 4.896 1.00 0.00 C ATOM 2024 OG1 THR B 57 -11.930 -12.440 4.024 1.00 0.00 O ATOM 2025 CG2 THR B 57 -13.663 -10.792 4.332 1.00 0.00 C ATOM 0 H THR B 57 -14.305 -10.831 6.635 1.00 0.00 H new ATOM 0 HA THR B 57 -11.825 -12.549 6.685 1.00 0.00 H new ATOM 0 HB THR B 57 -13.704 -12.844 4.985 1.00 0.00 H new ATOM 0 HG1 THR B 57 -11.482 -11.647 3.663 1.00 0.00 H new ATOM 0 HG21 THR B 57 -14.077 -11.019 3.349 1.00 0.00 H new ATOM 0 HG22 THR B 57 -14.466 -10.484 5.002 1.00 0.00 H new ATOM 0 HG23 THR B 57 -12.936 -9.985 4.242 1.00 0.00 H new ATOM 2033 N PRO B 58 -10.189 -10.818 5.979 1.00 0.00 N ATOM 2034 CA PRO B 58 -9.163 -9.751 5.869 1.00 0.00 C ATOM 2035 C PRO B 58 -9.335 -8.984 4.556 1.00 0.00 C ATOM 2036 O PRO B 58 -8.924 -9.433 3.505 1.00 0.00 O ATOM 2037 CB PRO B 58 -7.843 -10.518 5.886 1.00 0.00 C ATOM 2038 CG PRO B 58 -8.190 -11.889 5.399 1.00 0.00 C ATOM 2039 CD PRO B 58 -9.609 -12.158 5.827 1.00 0.00 C ATOM 0 HA PRO B 58 -9.226 -9.009 6.665 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -7.103 -10.045 5.241 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -7.418 -10.551 6.889 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -8.095 -11.949 4.315 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -7.512 -12.632 5.820 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -10.147 -12.745 5.082 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -9.646 -12.718 6.761 1.00 0.00 H new ATOM 2047 N VAL B 59 -9.943 -7.831 4.609 1.00 0.00 N ATOM 2048 CA VAL B 59 -10.146 -7.036 3.365 1.00 0.00 C ATOM 2049 C VAL B 59 -9.038 -5.990 3.217 1.00 0.00 C ATOM 2050 O VAL B 59 -8.800 -5.194 4.104 1.00 0.00 O ATOM 2051 CB VAL B 59 -11.503 -6.355 3.549 1.00 0.00 C ATOM 2052 CG1 VAL B 59 -11.987 -5.805 2.206 1.00 0.00 C ATOM 2053 CG2 VAL B 59 -12.517 -7.371 4.078 1.00 0.00 C ATOM 0 H VAL B 59 -10.308 -7.405 5.461 1.00 0.00 H new ATOM 0 HA VAL B 59 -10.118 -7.657 2.469 1.00 0.00 H new ATOM 0 HB VAL B 59 -11.403 -5.536 4.261 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -12.954 -5.320 2.339 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -11.266 -5.080 1.829 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -12.086 -6.623 1.492 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -13.484 -6.885 4.209 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -12.616 -8.191 3.366 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -12.174 -7.762 5.036 1.00 0.00 H new ATOM 2063 N THR B 60 -8.361 -5.982 2.102 1.00 0.00 N ATOM 2064 CA THR B 60 -7.272 -4.984 1.900 1.00 0.00 C ATOM 2065 C THR B 60 -7.749 -3.868 0.966 1.00 0.00 C ATOM 2066 O THR B 60 -8.832 -3.926 0.419 1.00 0.00 O ATOM 2067 CB THR B 60 -6.127 -5.769 1.258 1.00 0.00 C ATOM 2068 OG1 THR B 60 -4.994 -4.924 1.119 1.00 0.00 O ATOM 2069 CG2 THR B 60 -6.561 -6.275 -0.118 1.00 0.00 C ATOM 0 H THR B 60 -8.514 -6.622 1.323 1.00 0.00 H new ATOM 0 HA THR B 60 -6.966 -4.510 2.833 1.00 0.00 H new ATOM 0 HB THR B 60 -5.870 -6.619 1.890 1.00 0.00 H new ATOM 0 HG1 THR B 60 -4.259 -5.427 0.709 1.00 0.00 H new ATOM 0 HG21 THR B 60 -5.744 -6.834 -0.574 1.00 0.00 H new ATOM 0 HG22 THR B 60 -7.429 -6.925 -0.009 1.00 0.00 H new ATOM 0 HG23 THR B 60 -6.819 -5.427 -0.753 1.00 0.00 H new ATOM 2077 N LEU B 61 -6.949 -2.855 0.779 1.00 0.00 N ATOM 2078 CA LEU B 61 -7.360 -1.739 -0.121 1.00 0.00 C ATOM 2079 C LEU B 61 -6.332 -1.561 -1.240 1.00 0.00 C ATOM 2080 O LEU B 61 -5.154 -1.390 -0.994 1.00 0.00 O ATOM 2081 CB LEU B 61 -7.399 -0.501 0.775 1.00 0.00 C ATOM 2082 CG LEU B 61 -8.520 -0.651 1.805 1.00 0.00 C ATOM 2083 CD1 LEU B 61 -8.411 0.468 2.843 1.00 0.00 C ATOM 2084 CD2 LEU B 61 -9.875 -0.559 1.099 1.00 0.00 C ATOM 0 H LEU B 61 -6.030 -2.751 1.209 1.00 0.00 H new ATOM 0 HA LEU B 61 -8.322 -1.925 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -6.441 -0.374 1.280 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -7.562 0.392 0.172 1.00 0.00 H new ATOM 0 HG LEU B 61 -8.432 -1.618 2.301 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -9.209 0.362 3.577 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -7.446 0.406 3.345 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -8.500 1.434 2.347 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -10.675 -0.666 1.832 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -9.963 0.408 0.604 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -9.954 -1.354 0.358 1.00 0.00 H new ATOM 2096 N VAL B 62 -6.766 -1.600 -2.470 1.00 0.00 N ATOM 2097 CA VAL B 62 -5.812 -1.435 -3.604 1.00 0.00 C ATOM 2098 C VAL B 62 -6.167 -0.192 -4.421 1.00 0.00 C ATOM 2099 O VAL B 62 -7.162 0.463 -4.177 1.00 0.00 O ATOM 2100 CB VAL B 62 -5.984 -2.693 -4.452 1.00 0.00 C ATOM 2101 CG1 VAL B 62 -5.596 -3.923 -3.630 1.00 0.00 C ATOM 2102 CG2 VAL B 62 -7.446 -2.813 -4.890 1.00 0.00 C ATOM 0 H VAL B 62 -7.740 -1.739 -2.739 1.00 0.00 H new ATOM 0 HA VAL B 62 -4.785 -1.308 -3.261 1.00 0.00 H new ATOM 0 HB VAL B 62 -5.343 -2.629 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL B 62 -5.719 -4.820 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL B 62 -4.556 -3.838 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL B 62 -6.236 -3.989 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL B 62 -7.572 -3.710 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL B 62 -8.086 -2.877 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL B 62 -7.723 -1.937 -5.477 1.00 0.00 H new ATOM 2112 N LEU B 63 -5.362 0.137 -5.393 1.00 0.00 N ATOM 2113 CA LEU B 63 -5.649 1.334 -6.233 1.00 0.00 C ATOM 2114 C LEU B 63 -6.052 0.897 -7.645 1.00 0.00 C ATOM 2115 O LEU B 63 -5.319 0.205 -8.323 1.00 0.00 O ATOM 2116 CB LEU B 63 -4.335 2.115 -6.264 1.00 0.00 C ATOM 2117 CG LEU B 63 -4.057 2.712 -4.884 1.00 0.00 C ATOM 2118 CD1 LEU B 63 -2.851 3.648 -4.963 1.00 0.00 C ATOM 2119 CD2 LEU B 63 -5.283 3.498 -4.413 1.00 0.00 C ATOM 0 H LEU B 63 -4.515 -0.373 -5.643 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.469 1.935 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.517 1.457 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.390 2.908 -7.010 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.845 1.909 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.655 4.072 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.977 3.088 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.060 4.452 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.086 3.924 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.495 4.300 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.143 2.830 -4.354 1.00 0.00 H new ATOM 2131 N ALA B 64 -7.213 1.288 -8.091 1.00 0.00 N ATOM 2132 CA ALA B 64 -7.663 0.887 -9.456 1.00 0.00 C ATOM 2133 C ALA B 64 -6.651 1.342 -10.513 1.00 0.00 C ATOM 2134 O ALA B 64 -6.549 0.762 -11.576 1.00 0.00 O ATOM 2135 CB ALA B 64 -9.000 1.599 -9.658 1.00 0.00 C ATOM 0 H ALA B 64 -7.871 1.868 -7.570 1.00 0.00 H new ATOM 0 HA ALA B 64 -7.754 -0.195 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.398 1.354 -10.643 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -9.704 1.275 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -8.853 2.677 -9.584 1.00 0.00 H new ATOM 2141 N GLU B 65 -5.906 2.376 -10.234 1.00 0.00 N ATOM 2142 CA GLU B 65 -4.908 2.865 -11.231 1.00 0.00 C ATOM 2143 C GLU B 65 -3.591 2.095 -11.094 1.00 0.00 C ATOM 2144 O GLU B 65 -3.186 1.376 -11.985 1.00 0.00 O ATOM 2145 CB GLU B 65 -4.704 4.342 -10.894 1.00 0.00 C ATOM 2146 CG GLU B 65 -3.983 5.035 -12.051 1.00 0.00 C ATOM 2147 CD GLU B 65 -4.987 5.357 -13.159 1.00 0.00 C ATOM 2148 OE1 GLU B 65 -5.731 6.311 -12.999 1.00 0.00 O ATOM 2149 OE2 GLU B 65 -4.996 4.644 -14.149 1.00 0.00 O ATOM 0 H GLU B 65 -5.944 2.903 -9.362 1.00 0.00 H new ATOM 0 HA GLU B 65 -5.249 2.722 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU B 65 -5.666 4.821 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -4.121 4.440 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU B 65 -3.507 5.950 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -3.192 4.392 -12.438 1.00 0.00 H new ATOM 2156 N ASP B 66 -2.920 2.240 -9.984 1.00 0.00 N ATOM 2157 CA ASP B 66 -1.630 1.517 -9.794 1.00 0.00 C ATOM 2158 C ASP B 66 -1.890 0.101 -9.273 1.00 0.00 C ATOM 2159 O ASP B 66 -1.175 -0.830 -9.590 1.00 0.00 O ATOM 2160 CB ASP B 66 -0.863 2.338 -8.757 1.00 0.00 C ATOM 2161 CG ASP B 66 0.606 1.912 -8.753 1.00 0.00 C ATOM 2162 OD1 ASP B 66 1.273 2.150 -9.746 1.00 0.00 O ATOM 2163 OD2 ASP B 66 1.039 1.357 -7.757 1.00 0.00 O ATOM 0 H ASP B 66 -3.209 2.827 -9.201 1.00 0.00 H new ATOM 0 HA ASP B 66 -1.073 1.416 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -0.944 3.400 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -1.298 2.192 -7.768 1.00 0.00 H new ATOM 2168 N GLY B 67 -2.910 -0.069 -8.480 1.00 0.00 N ATOM 2169 CA GLY B 67 -3.220 -1.423 -7.941 1.00 0.00 C ATOM 2170 C GLY B 67 -2.290 -1.739 -6.768 1.00 0.00 C ATOM 2171 O GLY B 67 -2.072 -2.887 -6.434 1.00 0.00 O ATOM 0 H GLY B 67 -3.544 0.672 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -4.259 -1.465 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -3.101 -2.172 -8.724 1.00 0.00 H new ATOM 2175 N THR B 68 -1.744 -0.737 -6.133 1.00 0.00 N ATOM 2176 CA THR B 68 -0.838 -1.003 -4.980 1.00 0.00 C ATOM 2177 C THR B 68 -1.634 -0.953 -3.674 1.00 0.00 C ATOM 2178 O THR B 68 -2.473 -0.095 -3.481 1.00 0.00 O ATOM 2179 CB THR B 68 0.218 0.108 -5.019 1.00 0.00 C ATOM 2180 OG1 THR B 68 1.317 -0.260 -4.198 1.00 0.00 O ATOM 2181 CG2 THR B 68 -0.383 1.416 -4.503 1.00 0.00 C ATOM 0 H THR B 68 -1.885 0.247 -6.361 1.00 0.00 H new ATOM 0 HA THR B 68 -0.375 -1.988 -5.037 1.00 0.00 H new ATOM 0 HB THR B 68 0.554 0.248 -6.046 1.00 0.00 H new ATOM 0 HG1 THR B 68 1.020 -0.906 -3.523 1.00 0.00 H new ATOM 0 HG21 THR B 68 0.373 2.201 -4.534 1.00 0.00 H new ATOM 0 HG22 THR B 68 -1.227 1.701 -5.131 1.00 0.00 H new ATOM 0 HG23 THR B 68 -0.723 1.280 -3.477 1.00 0.00 H new ATOM 2189 N ILE B 69 -1.388 -1.870 -2.780 1.00 0.00 N ATOM 2190 CA ILE B 69 -2.142 -1.872 -1.494 1.00 0.00 C ATOM 2191 C ILE B 69 -1.562 -0.828 -0.539 1.00 0.00 C ATOM 2192 O ILE B 69 -0.367 -0.741 -0.347 1.00 0.00 O ATOM 2193 CB ILE B 69 -1.962 -3.279 -0.928 1.00 0.00 C ATOM 2194 CG1 ILE B 69 -0.486 -3.510 -0.599 1.00 0.00 C ATOM 2195 CG2 ILE B 69 -2.423 -4.309 -1.959 1.00 0.00 C ATOM 2196 CD1 ILE B 69 -0.303 -4.929 -0.061 1.00 0.00 C ATOM 0 H ILE B 69 -0.700 -2.616 -2.883 1.00 0.00 H new ATOM 0 HA ILE B 69 -3.194 -1.623 -1.633 1.00 0.00 H new ATOM 0 HB ILE B 69 -2.558 -3.384 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE B 69 0.124 -3.366 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE B 69 -0.148 -2.783 0.139 1.00 0.00 H new ATOM 0 HG21 ILE B 69 -2.294 -5.313 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE B 69 -3.475 -4.144 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE B 69 -1.829 -4.205 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE B 69 0.748 -5.096 0.174 1.00 0.00 H new ATOM 0 HD12 ILE B 69 -0.901 -5.056 0.841 1.00 0.00 H new ATOM 0 HD13 ILE B 69 -0.625 -5.648 -0.814 1.00 0.00 H new ATOM 2208 N VAL B 70 -2.406 -0.034 0.058 1.00 0.00 N ATOM 2209 CA VAL B 70 -1.915 1.010 1.001 1.00 0.00 C ATOM 2210 C VAL B 70 -2.277 0.628 2.440 1.00 0.00 C ATOM 2211 O VAL B 70 -3.405 0.777 2.865 1.00 0.00 O ATOM 2212 CB VAL B 70 -2.646 2.286 0.585 1.00 0.00 C ATOM 2213 CG1 VAL B 70 -2.376 3.387 1.611 1.00 0.00 C ATOM 2214 CG2 VAL B 70 -2.146 2.736 -0.789 1.00 0.00 C ATOM 0 H VAL B 70 -3.418 -0.063 -0.067 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.832 1.129 0.966 1.00 0.00 H new ATOM 0 HB VAL B 70 -3.717 2.090 0.536 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -2.897 4.297 1.314 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -2.733 3.067 2.590 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -1.305 3.583 1.661 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.667 3.646 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -1.075 2.931 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.339 1.952 -1.521 1.00 0.00 H new ATOM 2224 N ASP B 71 -1.331 0.136 3.192 1.00 0.00 N ATOM 2225 CA ASP B 71 -1.628 -0.254 4.601 1.00 0.00 C ATOM 2226 C ASP B 71 -1.612 0.979 5.507 1.00 0.00 C ATOM 2227 O ASP B 71 -1.792 0.883 6.706 1.00 0.00 O ATOM 2228 CB ASP B 71 -0.510 -1.221 4.990 1.00 0.00 C ATOM 2229 CG ASP B 71 -1.117 -2.478 5.614 1.00 0.00 C ATOM 2230 OD1 ASP B 71 -1.593 -2.389 6.734 1.00 0.00 O ATOM 2231 OD2 ASP B 71 -1.095 -3.510 4.963 1.00 0.00 O ATOM 0 H ASP B 71 -0.367 -0.013 2.893 1.00 0.00 H new ATOM 0 HA ASP B 71 -2.613 -0.709 4.703 1.00 0.00 H new ATOM 0 HB2 ASP B 71 0.078 -1.486 4.111 1.00 0.00 H new ATOM 0 HB3 ASP B 71 0.169 -0.743 5.696 1.00 0.00 H new ATOM 2236 N ASP B 72 -1.399 2.136 4.946 1.00 0.00 N ATOM 2237 CA ASP B 72 -1.371 3.374 5.777 1.00 0.00 C ATOM 2238 C ASP B 72 -2.319 4.426 5.194 1.00 0.00 C ATOM 2239 O ASP B 72 -2.628 4.415 4.020 1.00 0.00 O ATOM 2240 CB ASP B 72 0.076 3.860 5.714 1.00 0.00 C ATOM 2241 CG ASP B 72 0.973 2.901 6.497 1.00 0.00 C ATOM 2242 OD1 ASP B 72 1.126 1.772 6.058 1.00 0.00 O ATOM 2243 OD2 ASP B 72 1.491 3.310 7.522 1.00 0.00 O ATOM 0 H ASP B 72 -1.243 2.279 3.948 1.00 0.00 H new ATOM 0 HA ASP B 72 -1.695 3.191 6.802 1.00 0.00 H new ATOM 0 HB2 ASP B 72 0.406 3.918 4.677 1.00 0.00 H new ATOM 0 HB3 ASP B 72 0.151 4.865 6.129 1.00 0.00 H new ATOM 2248 N ASP B 73 -2.780 5.338 6.007 1.00 0.00 N ATOM 2249 CA ASP B 73 -3.705 6.392 5.500 1.00 0.00 C ATOM 2250 C ASP B 73 -2.935 7.403 4.644 1.00 0.00 C ATOM 2251 O ASP B 73 -3.501 8.330 4.100 1.00 0.00 O ATOM 2252 CB ASP B 73 -4.263 7.067 6.754 1.00 0.00 C ATOM 2253 CG ASP B 73 -3.135 7.796 7.487 1.00 0.00 C ATOM 2254 OD1 ASP B 73 -2.511 8.648 6.874 1.00 0.00 O ATOM 2255 OD2 ASP B 73 -2.915 7.491 8.648 1.00 0.00 O ATOM 0 H ASP B 73 -2.556 5.399 7.000 1.00 0.00 H new ATOM 0 HA ASP B 73 -4.496 5.981 4.873 1.00 0.00 H new ATOM 0 HB2 ASP B 73 -5.049 7.772 6.481 1.00 0.00 H new ATOM 0 HB3 ASP B 73 -4.716 6.323 7.409 1.00 0.00 H new ATOM 2260 N ASP B 74 -1.648 7.229 4.524 1.00 0.00 N ATOM 2261 CA ASP B 74 -0.835 8.173 3.707 1.00 0.00 C ATOM 2262 C ASP B 74 -1.535 8.472 2.378 1.00 0.00 C ATOM 2263 O ASP B 74 -2.179 9.491 2.222 1.00 0.00 O ATOM 2264 CB ASP B 74 0.483 7.440 3.468 1.00 0.00 C ATOM 2265 CG ASP B 74 1.268 7.363 4.779 1.00 0.00 C ATOM 2266 OD1 ASP B 74 1.707 8.401 5.245 1.00 0.00 O ATOM 2267 OD2 ASP B 74 1.415 6.267 5.295 1.00 0.00 O ATOM 0 H ASP B 74 -1.122 6.470 4.958 1.00 0.00 H new ATOM 0 HA ASP B 74 -0.689 9.132 4.204 1.00 0.00 H new ATOM 0 HB2 ASP B 74 0.290 6.437 3.088 1.00 0.00 H new ATOM 0 HB3 ASP B 74 1.069 7.961 2.711 1.00 0.00 H new ATOM 2272 N TYR B 75 -1.420 7.592 1.422 1.00 0.00 N ATOM 2273 CA TYR B 75 -2.081 7.823 0.113 1.00 0.00 C ATOM 2274 C TYR B 75 -3.595 7.964 0.292 1.00 0.00 C ATOM 2275 O TYR B 75 -4.272 8.553 -0.526 1.00 0.00 O ATOM 2276 CB TYR B 75 -1.739 6.582 -0.704 1.00 0.00 C ATOM 2277 CG TYR B 75 -0.560 6.873 -1.600 1.00 0.00 C ATOM 2278 CD1 TYR B 75 -0.631 7.915 -2.532 1.00 0.00 C ATOM 2279 CD2 TYR B 75 0.599 6.098 -1.504 1.00 0.00 C ATOM 2280 CE1 TYR B 75 0.460 8.180 -3.370 1.00 0.00 C ATOM 2281 CE2 TYR B 75 1.691 6.364 -2.339 1.00 0.00 C ATOM 2282 CZ TYR B 75 1.621 7.405 -3.272 1.00 0.00 C ATOM 2283 OH TYR B 75 2.694 7.663 -4.098 1.00 0.00 O ATOM 0 H TYR B 75 -0.894 6.721 1.494 1.00 0.00 H new ATOM 0 HA TYR B 75 -1.747 8.741 -0.371 1.00 0.00 H new ATOM 0 HB2 TYR B 75 -1.507 5.750 -0.040 1.00 0.00 H new ATOM 0 HB3 TYR B 75 -2.598 6.281 -1.303 1.00 0.00 H new ATOM 0 HD1 TYR B 75 -1.526 8.514 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR B 75 0.652 5.294 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR B 75 0.405 8.982 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.587 5.766 -2.263 1.00 0.00 H new ATOM 0 HH TYR B 75 3.272 6.873 -4.140 1.00 0.00 H new ATOM 2293 N PHE B 76 -4.130 7.431 1.356 1.00 0.00 N ATOM 2294 CA PHE B 76 -5.598 7.543 1.582 1.00 0.00 C ATOM 2295 C PHE B 76 -5.990 9.013 1.760 1.00 0.00 C ATOM 2296 O PHE B 76 -7.111 9.403 1.501 1.00 0.00 O ATOM 2297 CB PHE B 76 -5.865 6.759 2.867 1.00 0.00 C ATOM 2298 CG PHE B 76 -7.341 6.804 3.185 1.00 0.00 C ATOM 2299 CD1 PHE B 76 -8.277 6.416 2.220 1.00 0.00 C ATOM 2300 CD2 PHE B 76 -7.771 7.235 4.446 1.00 0.00 C ATOM 2301 CE1 PHE B 76 -9.645 6.459 2.514 1.00 0.00 C ATOM 2302 CE2 PHE B 76 -9.140 7.278 4.740 1.00 0.00 C ATOM 2303 CZ PHE B 76 -10.076 6.889 3.774 1.00 0.00 C ATOM 0 H PHE B 76 -3.616 6.924 2.076 1.00 0.00 H new ATOM 0 HA PHE B 76 -6.176 7.156 0.743 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -5.538 5.726 2.750 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -5.291 7.183 3.691 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.944 6.083 1.248 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.048 7.534 5.191 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -10.367 6.160 1.769 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.473 7.611 5.712 1.00 0.00 H new ATOM 0 HZ PHE B 76 -11.131 6.921 4.001 1.00 0.00 H new ATOM 2313 N LEU B 77 -5.072 9.831 2.199 1.00 0.00 N ATOM 2314 CA LEU B 77 -5.389 11.274 2.392 1.00 0.00 C ATOM 2315 C LEU B 77 -4.707 12.114 1.309 1.00 0.00 C ATOM 2316 O LEU B 77 -5.096 13.233 1.040 1.00 0.00 O ATOM 2317 CB LEU B 77 -4.826 11.621 3.771 1.00 0.00 C ATOM 2318 CG LEU B 77 -5.735 11.042 4.856 1.00 0.00 C ATOM 2319 CD1 LEU B 77 -5.117 11.298 6.232 1.00 0.00 C ATOM 2320 CD2 LEU B 77 -7.108 11.713 4.781 1.00 0.00 C ATOM 0 H LEU B 77 -4.116 9.562 2.432 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.458 11.475 2.325 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -3.818 11.220 3.875 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -4.752 12.703 3.883 1.00 0.00 H new ATOM 0 HG LEU B 77 -5.845 9.969 4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -5.766 10.885 7.005 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.139 10.820 6.286 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -5.006 12.371 6.387 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -7.757 11.301 5.554 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -6.997 12.786 4.934 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -7.549 11.530 3.801 1.00 0.00 H new ATOM 2332 N CYS B 78 -3.691 11.582 0.685 1.00 0.00 N ATOM 2333 CA CYS B 78 -2.983 12.349 -0.380 1.00 0.00 C ATOM 2334 C CYS B 78 -3.853 12.434 -1.637 1.00 0.00 C ATOM 2335 O CYS B 78 -3.645 13.272 -2.492 1.00 0.00 O ATOM 2336 CB CYS B 78 -1.709 11.553 -0.661 1.00 0.00 C ATOM 2337 SG CYS B 78 -0.682 12.457 -1.847 1.00 0.00 S ATOM 0 H CYS B 78 -3.321 10.649 0.867 1.00 0.00 H new ATOM 0 HA CYS B 78 -2.764 13.373 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS B 78 -1.157 11.391 0.265 1.00 0.00 H new ATOM 0 HB3 CYS B 78 -1.962 10.570 -1.058 1.00 0.00 H new ATOM 0 HG CYS B 78 -1.438 13.207 -2.592 1.00 0.00 H new ATOM 2343 N LEU B 79 -4.825 11.572 -1.758 1.00 0.00 N ATOM 2344 CA LEU B 79 -5.704 11.605 -2.961 1.00 0.00 C ATOM 2345 C LEU B 79 -6.788 12.673 -2.796 1.00 0.00 C ATOM 2346 O LEU B 79 -7.037 13.142 -1.703 1.00 0.00 O ATOM 2347 CB LEU B 79 -6.329 10.212 -3.034 1.00 0.00 C ATOM 2348 CG LEU B 79 -5.259 9.192 -3.418 1.00 0.00 C ATOM 2349 CD1 LEU B 79 -5.889 7.799 -3.501 1.00 0.00 C ATOM 2350 CD2 LEU B 79 -4.667 9.564 -4.779 1.00 0.00 C ATOM 0 H LEU B 79 -5.048 10.847 -1.076 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.152 11.852 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -6.769 9.949 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -7.136 10.202 -3.767 1.00 0.00 H new ATOM 0 HG LEU B 79 -4.471 9.191 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -5.126 7.070 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -6.313 7.533 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -6.677 7.800 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.903 8.837 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -5.456 9.564 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.220 10.556 -4.722 1.00 0.00 H new ATOM 2362 N PRO B 80 -7.398 13.020 -3.896 1.00 0.00 N ATOM 2363 CA PRO B 80 -8.470 14.043 -3.884 1.00 0.00 C ATOM 2364 C PRO B 80 -9.744 13.477 -3.249 1.00 0.00 C ATOM 2365 O PRO B 80 -9.814 12.313 -2.909 1.00 0.00 O ATOM 2366 CB PRO B 80 -8.688 14.351 -5.363 1.00 0.00 C ATOM 2367 CG PRO B 80 -8.225 13.127 -6.086 1.00 0.00 C ATOM 2368 CD PRO B 80 -7.148 12.495 -5.243 1.00 0.00 C ATOM 0 HA PRO B 80 -8.211 14.928 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO B 80 -9.737 14.560 -5.572 1.00 0.00 H new ATOM 0 HB3 PRO B 80 -8.121 15.229 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO B 80 -9.052 12.433 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO B 80 -7.840 13.385 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO B 80 -7.211 11.407 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO B 80 -6.153 12.764 -5.598 1.00 0.00 H new ATOM 2376 N SER B 81 -10.750 14.292 -3.085 1.00 0.00 N ATOM 2377 CA SER B 81 -12.017 13.798 -2.470 1.00 0.00 C ATOM 2378 C SER B 81 -12.590 12.663 -3.311 1.00 0.00 C ATOM 2379 O SER B 81 -12.919 11.604 -2.813 1.00 0.00 O ATOM 2380 CB SER B 81 -12.958 14.996 -2.513 1.00 0.00 C ATOM 2381 OG SER B 81 -14.049 14.771 -1.630 1.00 0.00 O ATOM 0 H SER B 81 -10.751 15.277 -3.349 1.00 0.00 H new ATOM 0 HA SER B 81 -11.870 13.418 -1.459 1.00 0.00 H new ATOM 0 HB2 SER B 81 -12.424 15.902 -2.226 1.00 0.00 H new ATOM 0 HB3 SER B 81 -13.323 15.149 -3.528 1.00 0.00 H new ATOM 0 HG SER B 81 -14.654 15.541 -1.655 1.00 0.00 H new ATOM 2387 N ASN B 82 -12.709 12.882 -4.587 1.00 0.00 N ATOM 2388 CA ASN B 82 -13.262 11.824 -5.481 1.00 0.00 C ATOM 2389 C ASN B 82 -12.182 10.783 -5.792 1.00 0.00 C ATOM 2390 O ASN B 82 -11.332 10.990 -6.636 1.00 0.00 O ATOM 2391 CB ASN B 82 -13.681 12.560 -6.755 1.00 0.00 C ATOM 2392 CG ASN B 82 -14.415 11.593 -7.685 1.00 0.00 C ATOM 2393 OD1 ASN B 82 -15.308 10.885 -7.262 1.00 0.00 O ATOM 2394 ND2 ASN B 82 -14.077 11.533 -8.944 1.00 0.00 N ATOM 0 H ASN B 82 -12.447 13.750 -5.054 1.00 0.00 H new ATOM 0 HA ASN B 82 -14.097 11.292 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN B 82 -14.327 13.402 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN B 82 -12.804 12.969 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN B 82 -14.562 10.892 -9.572 1.00 0.00 H new ATOM 0 HD22 ASN B 82 -13.328 12.127 -9.300 1.00 0.00 H new ATOM 2401 N THR B 83 -12.209 9.668 -5.114 1.00 0.00 N ATOM 2402 CA THR B 83 -11.184 8.616 -5.366 1.00 0.00 C ATOM 2403 C THR B 83 -11.839 7.233 -5.402 1.00 0.00 C ATOM 2404 O THR B 83 -12.687 6.916 -4.590 1.00 0.00 O ATOM 2405 CB THR B 83 -10.217 8.719 -4.186 1.00 0.00 C ATOM 2406 OG1 THR B 83 -9.099 7.873 -4.416 1.00 0.00 O ATOM 2407 CG2 THR B 83 -10.931 8.289 -2.904 1.00 0.00 C ATOM 0 H THR B 83 -12.897 9.440 -4.396 1.00 0.00 H new ATOM 0 HA THR B 83 -10.680 8.752 -6.323 1.00 0.00 H new ATOM 0 HB THR B 83 -9.876 9.749 -4.082 1.00 0.00 H new ATOM 0 HG1 THR B 83 -9.323 6.956 -4.152 1.00 0.00 H new ATOM 0 HG21 THR B 83 -10.243 8.362 -2.062 1.00 0.00 H new ATOM 0 HG22 THR B 83 -11.788 8.939 -2.729 1.00 0.00 H new ATOM 0 HG23 THR B 83 -11.272 7.259 -3.006 1.00 0.00 H new ATOM 2415 N LYS B 84 -11.456 6.408 -6.336 1.00 0.00 N ATOM 2416 CA LYS B 84 -12.055 5.048 -6.423 1.00 0.00 C ATOM 2417 C LYS B 84 -11.124 4.015 -5.781 1.00 0.00 C ATOM 2418 O LYS B 84 -9.923 4.054 -5.957 1.00 0.00 O ATOM 2419 CB LYS B 84 -12.198 4.785 -7.921 1.00 0.00 C ATOM 2420 CG LYS B 84 -12.978 5.932 -8.568 1.00 0.00 C ATOM 2421 CD LYS B 84 -12.350 6.279 -9.919 1.00 0.00 C ATOM 2422 CE LYS B 84 -13.447 6.379 -10.981 1.00 0.00 C ATOM 2423 NZ LYS B 84 -13.550 7.832 -11.290 1.00 0.00 N ATOM 0 H LYS B 84 -10.752 6.618 -7.044 1.00 0.00 H new ATOM 0 HA LYS B 84 -13.009 4.978 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -11.214 4.695 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -12.715 3.840 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -14.021 5.646 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -12.969 6.805 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -11.810 7.223 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -11.624 5.516 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -13.190 5.803 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -14.393 5.986 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -14.283 7.982 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -13.802 8.354 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -12.636 8.176 -11.648 1.00 0.00 H new ATOM 2437 N PHE B 85 -11.670 3.094 -5.034 1.00 0.00 N ATOM 2438 CA PHE B 85 -10.821 2.063 -4.375 1.00 0.00 C ATOM 2439 C PHE B 85 -11.460 0.677 -4.508 1.00 0.00 C ATOM 2440 O PHE B 85 -12.589 0.540 -4.935 1.00 0.00 O ATOM 2441 CB PHE B 85 -10.775 2.482 -2.909 1.00 0.00 C ATOM 2442 CG PHE B 85 -9.662 3.478 -2.697 1.00 0.00 C ATOM 2443 CD1 PHE B 85 -8.358 3.029 -2.460 1.00 0.00 C ATOM 2444 CD2 PHE B 85 -9.933 4.851 -2.736 1.00 0.00 C ATOM 2445 CE1 PHE B 85 -7.324 3.951 -2.262 1.00 0.00 C ATOM 2446 CE2 PHE B 85 -8.899 5.774 -2.538 1.00 0.00 C ATOM 2447 CZ PHE B 85 -7.594 5.325 -2.301 1.00 0.00 C ATOM 0 H PHE B 85 -12.670 3.012 -4.852 1.00 0.00 H new ATOM 0 HA PHE B 85 -9.829 1.998 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -11.729 2.921 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -10.619 1.608 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -8.149 1.970 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE B 85 -10.939 5.198 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -6.318 3.603 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE B 85 -9.108 6.833 -2.568 1.00 0.00 H new ATOM 0 HZ PHE B 85 -6.797 6.037 -2.148 1.00 0.00 H new ATOM 2457 N VAL B 86 -10.745 -0.351 -4.138 1.00 0.00 N ATOM 2458 CA VAL B 86 -11.307 -1.729 -4.234 1.00 0.00 C ATOM 2459 C VAL B 86 -10.895 -2.549 -3.007 1.00 0.00 C ATOM 2460 O VAL B 86 -9.775 -2.468 -2.544 1.00 0.00 O ATOM 2461 CB VAL B 86 -10.699 -2.319 -5.506 1.00 0.00 C ATOM 2462 CG1 VAL B 86 -11.030 -3.810 -5.586 1.00 0.00 C ATOM 2463 CG2 VAL B 86 -11.280 -1.603 -6.727 1.00 0.00 C ATOM 0 H VAL B 86 -9.794 -0.296 -3.773 1.00 0.00 H new ATOM 0 HA VAL B 86 -12.396 -1.732 -4.268 1.00 0.00 H new ATOM 0 HB VAL B 86 -9.617 -2.187 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.596 -4.231 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -10.618 -4.321 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.112 -3.942 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -10.847 -2.023 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -12.362 -1.735 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -11.045 -0.540 -6.671 1.00 0.00 H new ATOM 2473 N ALA B 87 -11.792 -3.335 -2.473 1.00 0.00 N ATOM 2474 CA ALA B 87 -11.447 -4.152 -1.273 1.00 0.00 C ATOM 2475 C ALA B 87 -11.641 -5.643 -1.567 1.00 0.00 C ATOM 2476 O ALA B 87 -12.690 -6.067 -2.011 1.00 0.00 O ATOM 2477 CB ALA B 87 -12.422 -3.692 -0.189 1.00 0.00 C ATOM 0 H ALA B 87 -12.746 -3.446 -2.815 1.00 0.00 H new ATOM 0 HA ALA B 87 -10.407 -4.022 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA B 87 -12.233 -4.247 0.730 1.00 0.00 H new ATOM 0 HB2 ALA B 87 -12.284 -2.627 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA B 87 -13.445 -3.873 -0.519 1.00 0.00 H new ATOM 2483 N LEU B 88 -10.638 -6.443 -1.317 1.00 0.00 N ATOM 2484 CA LEU B 88 -10.767 -7.906 -1.578 1.00 0.00 C ATOM 2485 C LEU B 88 -11.230 -8.631 -0.315 1.00 0.00 C ATOM 2486 O LEU B 88 -10.537 -8.679 0.682 1.00 0.00 O ATOM 2487 CB LEU B 88 -9.369 -8.370 -1.967 1.00 0.00 C ATOM 2488 CG LEU B 88 -8.961 -7.752 -3.309 1.00 0.00 C ATOM 2489 CD1 LEU B 88 -10.134 -7.814 -4.292 1.00 0.00 C ATOM 2490 CD2 LEU B 88 -8.552 -6.294 -3.098 1.00 0.00 C ATOM 0 H LEU B 88 -9.736 -6.147 -0.944 1.00 0.00 H new ATOM 0 HA LEU B 88 -11.499 -8.117 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -8.655 -8.084 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -9.345 -9.458 -2.037 1.00 0.00 H new ATOM 0 HG LEU B 88 -8.120 -8.313 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -9.836 -7.373 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -10.423 -8.853 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -10.980 -7.260 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -8.262 -5.856 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -9.392 -5.737 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -7.710 -6.249 -2.407 1.00 0.00 H new ATOM 2502 N ALA B 89 -12.392 -9.204 -0.364 1.00 0.00 N ATOM 2503 CA ALA B 89 -12.922 -9.951 0.812 1.00 0.00 C ATOM 2504 C ALA B 89 -12.357 -11.371 0.808 1.00 0.00 C ATOM 2505 O ALA B 89 -11.485 -11.684 0.023 1.00 0.00 O ATOM 2506 CB ALA B 89 -14.439 -9.970 0.628 1.00 0.00 C ATOM 0 H ALA B 89 -13.009 -9.189 -1.176 1.00 0.00 H new ATOM 0 HA ALA B 89 -12.644 -9.493 1.761 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -14.900 -10.505 1.459 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -14.815 -8.947 0.602 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -14.686 -10.471 -0.308 1.00 0.00 H new ATOM 2512 N SER B 90 -12.839 -12.221 1.681 1.00 0.00 N ATOM 2513 CA SER B 90 -12.332 -13.628 1.736 1.00 0.00 C ATOM 2514 C SER B 90 -11.952 -14.113 0.333 1.00 0.00 C ATOM 2515 O SER B 90 -11.012 -14.861 0.156 1.00 0.00 O ATOM 2516 CB SER B 90 -13.496 -14.447 2.290 1.00 0.00 C ATOM 2517 OG SER B 90 -13.122 -15.817 2.347 1.00 0.00 O ATOM 0 H SER B 90 -13.566 -12.000 2.362 1.00 0.00 H new ATOM 0 HA SER B 90 -11.439 -13.720 2.354 1.00 0.00 H new ATOM 0 HB2 SER B 90 -13.766 -14.090 3.284 1.00 0.00 H new ATOM 0 HB3 SER B 90 -14.375 -14.324 1.658 1.00 0.00 H new ATOM 0 HG SER B 90 -13.880 -16.375 2.073 1.00 0.00 H new ATOM 2523 N ASN B 91 -12.664 -13.668 -0.667 1.00 0.00 N ATOM 2524 CA ASN B 91 -12.329 -14.077 -2.060 1.00 0.00 C ATOM 2525 C ASN B 91 -11.154 -13.234 -2.562 1.00 0.00 C ATOM 2526 O ASN B 91 -11.310 -12.086 -2.925 1.00 0.00 O ATOM 2527 CB ASN B 91 -13.591 -13.789 -2.876 1.00 0.00 C ATOM 2528 CG ASN B 91 -13.349 -14.156 -4.341 1.00 0.00 C ATOM 2529 OD1 ASN B 91 -12.434 -15.038 -4.639 1.00 0.00 O flip ATOM 2530 ND2 ASN B 91 -14.000 -13.637 -5.226 1.00 0.00 N flip ATOM 0 H ASN B 91 -13.462 -13.039 -0.579 1.00 0.00 H new ATOM 0 HA ASN B 91 -12.038 -15.125 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN B 91 -14.430 -14.361 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN B 91 -13.857 -12.735 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN B 91 -14.716 -12.948 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN B 91 -13.831 -13.891 -6.199 1.00 0.00 H new ATOM 2537 N GLU B 92 -9.974 -13.793 -2.570 1.00 0.00 N ATOM 2538 CA GLU B 92 -8.774 -13.033 -3.028 1.00 0.00 C ATOM 2539 C GLU B 92 -8.888 -12.589 -4.498 1.00 0.00 C ATOM 2540 O GLU B 92 -7.987 -11.965 -5.023 1.00 0.00 O ATOM 2541 CB GLU B 92 -7.615 -14.011 -2.860 1.00 0.00 C ATOM 2542 CG GLU B 92 -7.649 -14.618 -1.454 1.00 0.00 C ATOM 2543 CD GLU B 92 -6.271 -15.184 -1.108 1.00 0.00 C ATOM 2544 OE1 GLU B 92 -5.404 -15.150 -1.967 1.00 0.00 O ATOM 2545 OE2 GLU B 92 -6.105 -15.645 0.010 1.00 0.00 O ATOM 0 H GLU B 92 -9.788 -14.752 -2.276 1.00 0.00 H new ATOM 0 HA GLU B 92 -8.648 -12.114 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU B 92 -7.682 -14.800 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU B 92 -6.667 -13.497 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU B 92 -7.935 -13.859 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU B 92 -8.400 -15.406 -1.405 1.00 0.00 H new ATOM 2552 N LYS B 93 -9.964 -12.899 -5.173 1.00 0.00 N ATOM 2553 CA LYS B 93 -10.079 -12.480 -6.601 1.00 0.00 C ATOM 2554 C LYS B 93 -9.833 -10.973 -6.724 1.00 0.00 C ATOM 2555 O LYS B 93 -10.742 -10.172 -6.632 1.00 0.00 O ATOM 2556 CB LYS B 93 -11.515 -12.825 -7.002 1.00 0.00 C ATOM 2557 CG LYS B 93 -11.678 -12.660 -8.515 1.00 0.00 C ATOM 2558 CD LYS B 93 -13.146 -12.866 -8.896 1.00 0.00 C ATOM 2559 CE LYS B 93 -13.295 -14.182 -9.664 1.00 0.00 C ATOM 2560 NZ LYS B 93 -12.580 -13.958 -10.950 1.00 0.00 N ATOM 0 H LYS B 93 -10.760 -13.418 -4.802 1.00 0.00 H new ATOM 0 HA LYS B 93 -9.350 -12.977 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -11.749 -13.849 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -12.216 -12.176 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -11.348 -11.667 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -11.051 -13.380 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -13.766 -12.884 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -13.494 -12.034 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.860 -15.014 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -14.344 -14.425 -9.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.083 -14.449 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.546 -12.939 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.611 -14.329 -10.878 1.00 0.00 H new ATOM 2574 N TRP B 94 -8.602 -10.586 -6.925 1.00 0.00 N ATOM 2575 CA TRP B 94 -8.274 -9.136 -7.049 1.00 0.00 C ATOM 2576 C TRP B 94 -7.990 -8.780 -8.512 1.00 0.00 C ATOM 2577 O TRP B 94 -7.770 -9.642 -9.340 1.00 0.00 O ATOM 2578 CB TRP B 94 -7.017 -8.957 -6.194 1.00 0.00 C ATOM 2579 CG TRP B 94 -6.464 -7.581 -6.383 1.00 0.00 C ATOM 2580 CD1 TRP B 94 -7.129 -6.431 -6.123 1.00 0.00 C ATOM 2581 CD2 TRP B 94 -5.143 -7.193 -6.858 1.00 0.00 C ATOM 2582 NE1 TRP B 94 -6.301 -5.363 -6.417 1.00 0.00 N ATOM 2583 CE2 TRP B 94 -5.066 -5.780 -6.871 1.00 0.00 C ATOM 2584 CE3 TRP B 94 -4.015 -7.922 -7.276 1.00 0.00 C ATOM 2585 CZ2 TRP B 94 -3.911 -5.114 -7.285 1.00 0.00 C ATOM 2586 CZ3 TRP B 94 -2.852 -7.256 -7.693 1.00 0.00 C ATOM 2587 CH2 TRP B 94 -2.800 -5.855 -7.696 1.00 0.00 C ATOM 0 H TRP B 94 -7.804 -11.216 -7.009 1.00 0.00 H new ATOM 0 HA TRP B 94 -9.090 -8.490 -6.724 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -7.255 -9.121 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -6.269 -9.700 -6.471 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -8.139 -6.359 -5.748 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -6.570 -4.385 -6.311 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -4.044 -9.002 -7.276 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -3.876 -4.035 -7.288 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -1.992 -7.826 -8.013 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -1.901 -5.349 -8.016 1.00 0.00 H new ATOM 2598 N ALA B 95 -7.996 -7.515 -8.837 1.00 0.00 N ATOM 2599 CA ALA B 95 -7.728 -7.104 -10.247 1.00 0.00 C ATOM 2600 C ALA B 95 -6.246 -6.766 -10.430 1.00 0.00 C ATOM 2601 O ALA B 95 -5.716 -5.883 -9.784 1.00 0.00 O ATOM 2602 CB ALA B 95 -8.592 -5.861 -10.468 1.00 0.00 C ATOM 0 H ALA B 95 -8.175 -6.749 -8.188 1.00 0.00 H new ATOM 0 HA ALA B 95 -7.962 -7.896 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA B 95 -8.451 -5.496 -11.485 1.00 0.00 H new ATOM 0 HB2 ALA B 95 -9.641 -6.115 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA B 95 -8.300 -5.085 -9.761 1.00 0.00 H new ATOM 2608 N TYR B 96 -5.574 -7.460 -11.308 1.00 0.00 N ATOM 2609 CA TYR B 96 -4.127 -7.178 -11.534 1.00 0.00 C ATOM 2610 C TYR B 96 -3.923 -6.549 -12.916 1.00 0.00 C ATOM 2611 O TYR B 96 -4.834 -6.477 -13.715 1.00 0.00 O ATOM 2612 CB TYR B 96 -3.440 -8.543 -11.459 1.00 0.00 C ATOM 2613 CG TYR B 96 -1.966 -8.381 -11.747 1.00 0.00 C ATOM 2614 CD1 TYR B 96 -1.113 -7.864 -10.766 1.00 0.00 C ATOM 2615 CD2 TYR B 96 -1.453 -8.748 -12.997 1.00 0.00 C ATOM 2616 CE1 TYR B 96 0.253 -7.714 -11.033 1.00 0.00 C ATOM 2617 CE2 TYR B 96 -0.087 -8.598 -13.265 1.00 0.00 C ATOM 2618 CZ TYR B 96 0.766 -8.080 -12.283 1.00 0.00 C ATOM 2619 OH TYR B 96 2.112 -7.933 -12.548 1.00 0.00 O ATOM 0 H TYR B 96 -5.964 -8.210 -11.879 1.00 0.00 H new ATOM 0 HA TYR B 96 -3.722 -6.479 -10.802 1.00 0.00 H new ATOM 0 HB2 TYR B 96 -3.583 -8.980 -10.471 1.00 0.00 H new ATOM 0 HB3 TYR B 96 -3.889 -9.228 -12.178 1.00 0.00 H new ATOM 0 HD1 TYR B 96 -1.509 -7.580 -9.802 1.00 0.00 H new ATOM 0 HD2 TYR B 96 -2.111 -9.147 -13.755 1.00 0.00 H new ATOM 0 HE1 TYR B 96 0.911 -7.316 -10.275 1.00 0.00 H new ATOM 0 HE2 TYR B 96 0.309 -8.882 -14.229 1.00 0.00 H new ATOM 0 HH TYR B 96 2.301 -8.235 -13.461 1.00 0.00 H new