USER MOD reduce.3.24.130724 H: found=0, std=0, add=1314, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 169 THR OG1 : rot 180:sc= 0.161 USER MOD Set 1.2: A 174 ASN : amide:sc= -0.686 K(o=-0.53,f=-4.1!) USER MOD Set 2.1: A 120 HIS : no HD1:sc= -2.55! C(o=-5.7!,f=-14!) USER MOD Set 2.2: A 171 ASN : amide:sc= -3.18! C(o=-5.7!,f=-5.4!) USER MOD Set 3.1: A 124 TYR OH : rot -153:sc= 0.824 USER MOD Set 3.2: A 128 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 168 HIS : no HD1:sc= -1.3! C(o=-0.48!,f=-11!) USER MOD Set 4.1: A 87 LYS NZ :NH3+ -161:sc= 1.92 (180deg=1.01) USER MOD Set 4.2: A 103 THR OG1 : rot -117:sc= 2.13 USER MOD Set 5.1: A 95 SER OG : rot -68:sc= 0.311 USER MOD Set 5.2: A 101 HIS : no HE2:sc= 0.206 K(o=0.52,f=-5.3!) USER MOD Set 6.1: A 33 HIS : no HE2:sc= -0.468 K(o=0.19,f=-7.5!) USER MOD Set 6.2: A 77 HIS : +bothHN:sc= 0.654 K(o=0.19,f=-13!) USER MOD Set 7.1: A 26 THR OG1 : rot 180:sc= 1.03 USER MOD Set 7.2: A 29 SER OG : rot -84:sc= 1.38 USER MOD Set 8.1: A 22 SER OG : rot 166:sc= 2.18 USER MOD Set 8.2: A 25 THR OG1 : rot 7:sc= 1.05 USER MOD Set 9.1: A 15 LYS NZ :NH3+ 178:sc= 2.1 (180deg=1.07) USER MOD Set 9.2: A 61 THR OG1 : rot 161:sc= -0.292 USER MOD Set10.1: A 12 GLN : amide:sc= 0.801 K(o=2.1,f=-2.8!) USER MOD Set10.2: A 91 SER OG : rot -72:sc= 1.25 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0242 (180deg=-0.219) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -106:sc= 0.5 USER MOD Single : A 43 CYS SG : rot -115:sc= -0.778 USER MOD Single : A 46 MET CE :methyl 155:sc= -1.05 (180deg=-2.66!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 71:sc= 0.93 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0289) USER MOD Single : A 54 SER OG : rot -135:sc= 0.598 USER MOD Single : A 62 TYR OH : rot 42:sc= 0.743 USER MOD Single : A 64 THR OG1 : rot 120:sc= 1.23 USER MOD Single : A 72 MET CE :methyl 172:sc= -3.73! (180deg=-3.99!) USER MOD Single : A 73 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.072) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= 0.929 (180deg=0.785) USER MOD Single : A 113 LYS NZ :NH3+ -147:sc= 0.0324 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 83:sc= 0.351 USER MOD Single : A 119 HIS :FLIP no HD1:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 127 GLN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -163:sc= 0.838 (180deg=0.608) USER MOD Single : A 137 MET CE :methyl -172:sc= -0.0139 (180deg=-0.163) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 156 HIS :FLIP no HE2:sc= -3.47 F(o=-4.1!,f=-3.5) USER MOD Single : A 158 SER OG : rot -21:sc= -1.02! USER MOD Single : A 161 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.16) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 166 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.18) USER MOD Single : A 167 TYR OH : rot -112:sc= 0.0863 USER MOD Single : A 173 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.011) USER MOD Single : A 175 CYS SG : rot 46:sc= -3.05! USER MOD Single : A 179 LYS NZ :NH3+ -162:sc= 1.72 (180deg=1.33) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 -16.486 7.689 6.058 1.00 4.24 N ATOM 93 CA LYS A 8 -16.835 7.917 4.664 1.00 2.41 C ATOM 94 C LYS A 8 -15.887 7.171 3.745 1.00 31.12 C ATOM 95 O LYS A 8 -16.158 7.006 2.555 1.00 75.20 O ATOM 96 CB LYS A 8 -16.810 9.411 4.345 1.00 65.15 C ATOM 97 CG LYS A 8 -17.757 10.225 5.206 1.00 52.24 C ATOM 98 CD LYS A 8 -17.037 10.861 6.386 1.00 3.13 C ATOM 99 CE LYS A 8 -17.988 11.680 7.238 1.00 51.22 C ATOM 100 NZ LYS A 8 -18.587 12.807 6.479 1.00 24.40 N ATOM 0 HA LYS A 8 -17.844 7.540 4.500 1.00 2.41 H new ATOM 0 HB2 LYS A 8 -15.795 9.787 4.478 1.00 65.15 H new ATOM 0 HB3 LYS A 8 -17.069 9.556 3.296 1.00 65.15 H new ATOM 0 HG2 LYS A 8 -18.222 11.003 4.601 1.00 52.24 H new ATOM 0 HG3 LYS A 8 -18.559 9.584 5.571 1.00 52.24 H new ATOM 0 HD2 LYS A 8 -16.577 10.083 6.996 1.00 3.13 H new ATOM 0 HD3 LYS A 8 -16.231 11.498 6.022 1.00 3.13 H new ATOM 0 HE2 LYS A 8 -18.782 11.036 7.616 1.00 51.22 H new ATOM 0 HE3 LYS A 8 -17.454 12.070 8.104 1.00 51.22 H new ATOM 0 HZ1 LYS A 8 -19.035 13.472 7.141 1.00 24.40 H new ATOM 0 HZ2 LYS A 8 -17.843 13.299 5.944 1.00 24.40 H new ATOM 0 HZ3 LYS A 8 -19.303 12.440 5.820 1.00 24.40 H new ATOM 114 N GLU A 9 -14.774 6.733 4.304 1.00 11.54 N ATOM 115 CA GLU A 9 -13.779 5.994 3.554 1.00 21.15 C ATOM 116 C GLU A 9 -14.296 4.608 3.208 1.00 31.32 C ATOM 117 O GLU A 9 -14.865 3.916 4.058 1.00 11.40 O ATOM 118 CB GLU A 9 -12.470 5.867 4.341 1.00 51.15 C ATOM 119 CG GLU A 9 -11.953 7.185 4.882 1.00 71.33 C ATOM 120 CD GLU A 9 -12.491 7.502 6.266 1.00 74.20 C ATOM 121 OE1 GLU A 9 -11.863 7.088 7.260 1.00 23.43 O ATOM 122 OE2 GLU A 9 -13.554 8.152 6.364 1.00 41.21 O ATOM 0 H GLU A 9 -14.536 6.879 5.285 1.00 11.54 H new ATOM 0 HA GLU A 9 -13.581 6.548 2.636 1.00 21.15 H new ATOM 0 HB2 GLU A 9 -12.622 5.178 5.172 1.00 51.15 H new ATOM 0 HB3 GLU A 9 -11.710 5.426 3.696 1.00 51.15 H new ATOM 0 HG2 GLU A 9 -10.864 7.156 4.918 1.00 71.33 H new ATOM 0 HG3 GLU A 9 -12.228 7.987 4.197 1.00 71.33 H new ATOM 129 N PRO A 10 -14.118 4.194 1.945 1.00 14.53 N ATOM 130 CA PRO A 10 -14.491 2.857 1.490 1.00 1.10 C ATOM 131 C PRO A 10 -13.618 1.803 2.154 1.00 60.41 C ATOM 132 O PRO A 10 -12.549 2.129 2.685 1.00 41.30 O ATOM 133 CB PRO A 10 -14.243 2.902 -0.022 1.00 12.34 C ATOM 134 CG PRO A 10 -13.291 4.023 -0.243 1.00 42.30 C ATOM 135 CD PRO A 10 -13.530 5.009 0.867 1.00 74.25 C ATOM 0 HA PRO A 10 -15.520 2.596 1.737 1.00 1.10 H new ATOM 0 HB2 PRO A 10 -13.827 1.960 -0.378 1.00 12.34 H new ATOM 0 HB3 PRO A 10 -15.173 3.066 -0.566 1.00 12.34 H new ATOM 0 HG2 PRO A 10 -12.261 3.666 -0.230 1.00 42.30 H new ATOM 0 HG3 PRO A 10 -13.456 4.486 -1.216 1.00 42.30 H new ATOM 0 HD2 PRO A 10 -12.602 5.484 1.186 1.00 74.25 H new ATOM 0 HD3 PRO A 10 -14.205 5.806 0.555 1.00 74.25 H new ATOM 143 N GLU A 11 -14.054 0.548 2.120 1.00 51.22 N ATOM 144 CA GLU A 11 -13.353 -0.516 2.829 1.00 22.14 C ATOM 145 C GLU A 11 -11.918 -0.678 2.334 1.00 11.44 C ATOM 146 O GLU A 11 -11.049 -1.031 3.110 1.00 61.22 O ATOM 147 CB GLU A 11 -14.101 -1.848 2.729 1.00 15.51 C ATOM 148 CG GLU A 11 -14.256 -2.370 1.314 1.00 21.30 C ATOM 149 CD GLU A 11 -14.582 -3.840 1.287 1.00 34.11 C ATOM 150 OE1 GLU A 11 -13.639 -4.651 1.296 1.00 52.33 O ATOM 151 OE2 GLU A 11 -15.777 -4.190 1.266 1.00 22.12 O ATOM 0 H GLU A 11 -14.885 0.244 1.612 1.00 51.22 H new ATOM 0 HA GLU A 11 -13.318 -0.221 3.878 1.00 22.14 H new ATOM 0 HB2 GLU A 11 -13.573 -2.594 3.323 1.00 15.51 H new ATOM 0 HB3 GLU A 11 -15.090 -1.730 3.171 1.00 15.51 H new ATOM 0 HG2 GLU A 11 -15.045 -1.814 0.807 1.00 21.30 H new ATOM 0 HG3 GLU A 11 -13.335 -2.193 0.759 1.00 21.30 H new ATOM 158 N GLN A 12 -11.673 -0.382 1.057 1.00 52.54 N ATOM 159 CA GLN A 12 -10.333 -0.507 0.481 1.00 1.45 C ATOM 160 C GLN A 12 -9.368 0.535 1.051 1.00 33.34 C ATOM 161 O GLN A 12 -8.192 0.250 1.259 1.00 33.15 O ATOM 162 CB GLN A 12 -10.393 -0.378 -1.045 1.00 75.33 C ATOM 163 CG GLN A 12 -10.737 1.022 -1.540 1.00 3.32 C ATOM 164 CD GLN A 12 -11.009 1.071 -3.027 1.00 14.43 C ATOM 165 OE1 GLN A 12 -10.108 1.302 -3.827 1.00 11.53 O ATOM 166 NE2 GLN A 12 -12.254 0.857 -3.412 1.00 74.43 N ATOM 0 H GLN A 12 -12.383 -0.055 0.403 1.00 52.54 H new ATOM 0 HA GLN A 12 -9.957 -1.495 0.748 1.00 1.45 H new ATOM 0 HB2 GLN A 12 -9.430 -0.672 -1.462 1.00 75.33 H new ATOM 0 HB3 GLN A 12 -11.134 -1.079 -1.429 1.00 75.33 H new ATOM 0 HG2 GLN A 12 -11.613 1.386 -1.003 1.00 3.32 H new ATOM 0 HG3 GLN A 12 -9.915 1.697 -1.304 1.00 3.32 H new ATOM 0 HE21 GLN A 12 -12.977 0.668 -2.718 1.00 74.43 H new ATOM 0 HE22 GLN A 12 -12.492 0.881 -4.403 1.00 74.43 H new ATOM 175 N LEU A 13 -9.879 1.731 1.343 1.00 51.44 N ATOM 176 CA LEU A 13 -9.037 2.834 1.780 1.00 53.32 C ATOM 177 C LEU A 13 -8.671 2.686 3.243 1.00 31.53 C ATOM 178 O LEU A 13 -7.738 3.324 3.730 1.00 74.20 O ATOM 179 CB LEU A 13 -9.755 4.167 1.551 1.00 11.14 C ATOM 180 CG LEU A 13 -9.198 5.035 0.419 1.00 43.21 C ATOM 181 CD1 LEU A 13 -9.191 4.276 -0.896 1.00 30.44 C ATOM 182 CD2 LEU A 13 -10.016 6.305 0.277 1.00 55.03 C ATOM 0 H LEU A 13 -10.872 1.956 1.284 1.00 51.44 H new ATOM 0 HA LEU A 13 -8.119 2.817 1.193 1.00 53.32 H new ATOM 0 HB2 LEU A 13 -10.805 3.962 1.344 1.00 11.14 H new ATOM 0 HB3 LEU A 13 -9.719 4.742 2.476 1.00 11.14 H new ATOM 0 HG LEU A 13 -8.171 5.298 0.671 1.00 43.21 H new ATOM 0 HD11 LEU A 13 -8.791 4.915 -1.683 1.00 30.44 H new ATOM 0 HD12 LEU A 13 -8.568 3.386 -0.799 1.00 30.44 H new ATOM 0 HD13 LEU A 13 -10.209 3.981 -1.151 1.00 30.44 H new ATOM 0 HD21 LEU A 13 -9.608 6.912 -0.531 1.00 55.03 H new ATOM 0 HD22 LEU A 13 -11.051 6.048 0.051 1.00 55.03 H new ATOM 0 HD23 LEU A 13 -9.977 6.869 1.209 1.00 55.03 H new ATOM 194 N ARG A 14 -9.391 1.816 3.930 1.00 41.55 N ATOM 195 CA ARG A 14 -9.187 1.617 5.350 1.00 73.30 C ATOM 196 C ARG A 14 -8.833 0.157 5.650 1.00 12.11 C ATOM 197 O ARG A 14 -8.785 -0.254 6.805 1.00 71.15 O ATOM 198 CB ARG A 14 -10.433 2.052 6.133 1.00 31.12 C ATOM 199 CG ARG A 14 -11.698 1.317 5.727 1.00 51.22 C ATOM 200 CD ARG A 14 -12.929 1.902 6.399 1.00 51.24 C ATOM 201 NE ARG A 14 -14.120 1.088 6.152 1.00 44.23 N ATOM 202 CZ ARG A 14 -15.179 1.046 6.961 1.00 71.22 C ATOM 203 NH1 ARG A 14 -15.208 1.771 8.069 1.00 45.34 N ATOM 204 NH2 ARG A 14 -16.209 0.264 6.666 1.00 4.10 N ATOM 0 H ARG A 14 -10.124 1.235 3.523 1.00 41.55 H new ATOM 0 HA ARG A 14 -8.348 2.236 5.669 1.00 73.30 H new ATOM 0 HB2 ARG A 14 -10.257 1.892 7.197 1.00 31.12 H new ATOM 0 HB3 ARG A 14 -10.584 3.122 5.992 1.00 31.12 H new ATOM 0 HG2 ARG A 14 -11.816 1.367 4.645 1.00 51.22 H new ATOM 0 HG3 ARG A 14 -11.607 0.263 5.989 1.00 51.22 H new ATOM 0 HD2 ARG A 14 -12.756 1.977 7.473 1.00 51.24 H new ATOM 0 HD3 ARG A 14 -13.098 2.914 6.032 1.00 51.24 H new ATOM 0 HE ARG A 14 -14.141 0.517 5.307 1.00 44.23 H new ATOM 0 HH11 ARG A 14 -14.416 2.367 8.309 1.00 45.34 H new ATOM 0 HH12 ARG A 14 -16.022 1.733 8.682 1.00 45.34 H new ATOM 0 HH21 ARG A 14 -16.191 -0.306 5.820 1.00 4.10 H new ATOM 0 HH22 ARG A 14 -17.019 0.232 7.285 1.00 4.10 H new ATOM 218 N LYS A 15 -8.637 -0.635 4.607 1.00 60.02 N ATOM 219 CA LYS A 15 -8.182 -2.008 4.781 1.00 53.23 C ATOM 220 C LYS A 15 -6.671 -2.118 4.643 1.00 55.44 C ATOM 221 O LYS A 15 -6.031 -1.363 3.909 1.00 13.44 O ATOM 222 CB LYS A 15 -8.872 -2.919 3.762 1.00 4.23 C ATOM 223 CG LYS A 15 -8.805 -4.407 4.085 1.00 22.25 C ATOM 224 CD LYS A 15 -9.123 -5.264 2.865 1.00 31.54 C ATOM 225 CE LYS A 15 -10.477 -4.932 2.255 1.00 1.32 C ATOM 226 NZ LYS A 15 -11.611 -5.374 3.108 1.00 53.11 N ATOM 0 H LYS A 15 -8.784 -0.355 3.637 1.00 60.02 H new ATOM 0 HA LYS A 15 -8.447 -2.325 5.790 1.00 53.23 H new ATOM 0 HB2 LYS A 15 -9.919 -2.626 3.684 1.00 4.23 H new ATOM 0 HB3 LYS A 15 -8.421 -2.753 2.784 1.00 4.23 H new ATOM 0 HG2 LYS A 15 -7.810 -4.655 4.454 1.00 22.25 H new ATOM 0 HG3 LYS A 15 -9.508 -4.638 4.885 1.00 22.25 H new ATOM 0 HD2 LYS A 15 -8.346 -5.123 2.114 1.00 31.54 H new ATOM 0 HD3 LYS A 15 -9.105 -6.316 3.150 1.00 31.54 H new ATOM 0 HE2 LYS A 15 -10.545 -3.856 2.095 1.00 1.32 H new ATOM 0 HE3 LYS A 15 -10.557 -5.406 1.277 1.00 1.32 H new ATOM 0 HZ1 LYS A 15 -12.509 -5.094 2.664 1.00 53.11 H new ATOM 0 HZ2 LYS A 15 -11.584 -6.408 3.213 1.00 53.11 H new ATOM 0 HZ3 LYS A 15 -11.535 -4.929 4.045 1.00 53.11 H new ATOM 240 N LEU A 16 -6.120 -3.069 5.372 1.00 70.01 N ATOM 241 CA LEU A 16 -4.713 -3.388 5.299 1.00 23.51 C ATOM 242 C LEU A 16 -4.525 -4.800 4.770 1.00 55.01 C ATOM 243 O LEU A 16 -5.270 -5.708 5.128 1.00 45.32 O ATOM 244 CB LEU A 16 -4.055 -3.266 6.677 1.00 53.14 C ATOM 245 CG LEU A 16 -3.936 -1.851 7.230 1.00 22.44 C ATOM 246 CD1 LEU A 16 -3.304 -1.867 8.611 1.00 14.04 C ATOM 247 CD2 LEU A 16 -3.128 -0.979 6.290 1.00 41.11 C ATOM 0 H LEU A 16 -6.641 -3.643 6.034 1.00 70.01 H new ATOM 0 HA LEU A 16 -4.239 -2.679 4.620 1.00 23.51 H new ATOM 0 HB2 LEU A 16 -4.625 -3.867 7.386 1.00 53.14 H new ATOM 0 HB3 LEU A 16 -3.057 -3.700 6.622 1.00 53.14 H new ATOM 0 HG LEU A 16 -4.939 -1.432 7.315 1.00 22.44 H new ATOM 0 HD11 LEU A 16 -3.228 -0.847 8.988 1.00 14.04 H new ATOM 0 HD12 LEU A 16 -3.921 -2.459 9.287 1.00 14.04 H new ATOM 0 HD13 LEU A 16 -2.308 -2.307 8.550 1.00 14.04 H new ATOM 0 HD21 LEU A 16 -3.054 0.028 6.701 1.00 41.11 H new ATOM 0 HD22 LEU A 16 -2.129 -1.398 6.174 1.00 41.11 H new ATOM 0 HD23 LEU A 16 -3.620 -0.938 5.318 1.00 41.11 H new ATOM 259 N PHE A 17 -3.536 -4.966 3.917 1.00 0.43 N ATOM 260 CA PHE A 17 -3.156 -6.268 3.412 1.00 65.23 C ATOM 261 C PHE A 17 -1.994 -6.785 4.244 1.00 1.13 C ATOM 262 O PHE A 17 -0.906 -6.218 4.230 1.00 11.33 O ATOM 263 CB PHE A 17 -2.774 -6.167 1.928 1.00 31.22 C ATOM 264 CG PHE A 17 -1.957 -7.323 1.413 1.00 21.34 C ATOM 265 CD1 PHE A 17 -2.539 -8.557 1.174 1.00 35.34 C ATOM 266 CD2 PHE A 17 -0.604 -7.165 1.162 1.00 12.23 C ATOM 267 CE1 PHE A 17 -1.782 -9.610 0.695 1.00 2.11 C ATOM 268 CE2 PHE A 17 0.154 -8.212 0.686 1.00 25.44 C ATOM 269 CZ PHE A 17 -0.434 -9.437 0.452 1.00 12.51 C ATOM 0 H PHE A 17 -2.971 -4.199 3.553 1.00 0.43 H new ATOM 0 HA PHE A 17 -3.991 -6.964 3.490 1.00 65.23 H new ATOM 0 HB2 PHE A 17 -3.686 -6.091 1.336 1.00 31.22 H new ATOM 0 HB3 PHE A 17 -2.214 -5.245 1.772 1.00 31.22 H new ATOM 0 HD1 PHE A 17 -3.593 -8.698 1.363 1.00 35.34 H new ATOM 0 HD2 PHE A 17 -0.137 -6.208 1.342 1.00 12.23 H new ATOM 0 HE1 PHE A 17 -2.245 -10.568 0.511 1.00 2.11 H new ATOM 0 HE2 PHE A 17 1.208 -8.073 0.496 1.00 25.44 H new ATOM 0 HZ PHE A 17 0.159 -10.259 0.079 1.00 12.51 H new ATOM 279 N ILE A 18 -2.237 -7.837 4.987 1.00 10.23 N ATOM 280 CA ILE A 18 -1.244 -8.363 5.899 1.00 31.34 C ATOM 281 C ILE A 18 -0.426 -9.445 5.218 1.00 23.25 C ATOM 282 O ILE A 18 -0.937 -10.519 4.918 1.00 21.52 O ATOM 283 CB ILE A 18 -1.890 -8.941 7.172 1.00 34.13 C ATOM 284 CG1 ILE A 18 -2.993 -8.015 7.706 1.00 60.54 C ATOM 285 CG2 ILE A 18 -0.827 -9.166 8.234 1.00 11.51 C ATOM 286 CD1 ILE A 18 -2.515 -6.618 8.044 1.00 72.00 C ATOM 0 H ILE A 18 -3.118 -8.350 4.979 1.00 10.23 H new ATOM 0 HA ILE A 18 -0.597 -7.535 6.187 1.00 31.34 H new ATOM 0 HB ILE A 18 -2.351 -9.896 6.919 1.00 34.13 H new ATOM 0 HG12 ILE A 18 -3.787 -7.946 6.962 1.00 60.54 H new ATOM 0 HG13 ILE A 18 -3.430 -8.464 8.598 1.00 60.54 H new ATOM 0 HG21 ILE A 18 -1.290 -9.575 9.132 1.00 11.51 H new ATOM 0 HG22 ILE A 18 -0.081 -9.867 7.859 1.00 11.51 H new ATOM 0 HG23 ILE A 18 -0.346 -8.218 8.474 1.00 11.51 H new ATOM 0 HD11 ILE A 18 -3.352 -6.027 8.414 1.00 72.00 H new ATOM 0 HD12 ILE A 18 -1.743 -6.673 8.811 1.00 72.00 H new ATOM 0 HD13 ILE A 18 -2.105 -6.147 7.150 1.00 72.00 H new ATOM 298 N GLY A 19 0.839 -9.153 4.979 1.00 31.43 N ATOM 299 CA GLY A 19 1.707 -10.092 4.309 1.00 22.21 C ATOM 300 C GLY A 19 2.648 -10.776 5.267 1.00 73.25 C ATOM 301 O GLY A 19 3.067 -10.184 6.260 1.00 44.10 O ATOM 0 H GLY A 19 1.284 -8.273 5.240 1.00 31.43 H new ATOM 0 HA2 GLY A 19 1.103 -10.841 3.797 1.00 22.21 H new ATOM 0 HA3 GLY A 19 2.284 -9.571 3.545 1.00 22.21 H new ATOM 305 N GLY A 20 2.984 -12.020 4.974 1.00 72.44 N ATOM 306 CA GLY A 20 3.905 -12.755 5.814 1.00 43.44 C ATOM 307 C GLY A 20 3.318 -13.139 7.160 1.00 13.03 C ATOM 308 O GLY A 20 3.941 -12.917 8.197 1.00 14.13 O ATOM 0 H GLY A 20 2.635 -12.537 4.167 1.00 72.44 H new ATOM 0 HA2 GLY A 20 4.219 -13.659 5.292 1.00 43.44 H new ATOM 0 HA3 GLY A 20 4.799 -12.152 5.974 1.00 43.44 H new ATOM 312 N LEU A 21 2.120 -13.705 7.151 1.00 75.34 N ATOM 313 CA LEU A 21 1.521 -14.254 8.360 1.00 22.25 C ATOM 314 C LEU A 21 2.101 -15.632 8.653 1.00 11.24 C ATOM 315 O LEU A 21 2.905 -16.153 7.877 1.00 51.41 O ATOM 316 CB LEU A 21 0.003 -14.369 8.193 1.00 11.32 C ATOM 317 CG LEU A 21 -0.767 -13.053 8.234 1.00 42.04 C ATOM 318 CD1 LEU A 21 -2.227 -13.275 7.885 1.00 31.12 C ATOM 319 CD2 LEU A 21 -0.650 -12.422 9.605 1.00 71.53 C ATOM 0 H LEU A 21 1.541 -13.797 6.316 1.00 75.34 H new ATOM 0 HA LEU A 21 1.743 -13.584 9.190 1.00 22.25 H new ATOM 0 HB2 LEU A 21 -0.204 -14.860 7.242 1.00 11.32 H new ATOM 0 HB3 LEU A 21 -0.383 -15.019 8.978 1.00 11.32 H new ATOM 0 HG LEU A 21 -0.334 -12.379 7.495 1.00 42.04 H new ATOM 0 HD11 LEU A 21 -2.758 -12.324 7.920 1.00 31.12 H new ATOM 0 HD12 LEU A 21 -2.302 -13.695 6.882 1.00 31.12 H new ATOM 0 HD13 LEU A 21 -2.672 -13.965 8.602 1.00 31.12 H new ATOM 0 HD21 LEU A 21 -1.204 -11.483 9.622 1.00 71.53 H new ATOM 0 HD22 LEU A 21 -1.061 -13.099 10.354 1.00 71.53 H new ATOM 0 HD23 LEU A 21 0.399 -12.228 9.828 1.00 71.53 H new ATOM 331 N SER A 22 1.693 -16.226 9.760 1.00 42.25 N ATOM 332 CA SER A 22 2.092 -17.583 10.072 1.00 41.35 C ATOM 333 C SER A 22 1.074 -18.547 9.481 1.00 34.11 C ATOM 334 O SER A 22 0.007 -18.127 9.032 1.00 35.21 O ATOM 335 CB SER A 22 2.198 -17.781 11.588 1.00 2.34 C ATOM 336 OG SER A 22 0.964 -17.506 12.226 1.00 12.20 O ATOM 0 H SER A 22 1.087 -15.790 10.455 1.00 42.25 H new ATOM 0 HA SER A 22 3.073 -17.778 9.640 1.00 41.35 H new ATOM 0 HB2 SER A 22 2.502 -18.805 11.804 1.00 2.34 H new ATOM 0 HB3 SER A 22 2.972 -17.127 11.990 1.00 2.34 H new ATOM 0 HG SER A 22 0.989 -17.842 13.146 1.00 12.20 H new ATOM 342 N PHE A 23 1.392 -19.831 9.487 1.00 30.41 N ATOM 343 CA PHE A 23 0.472 -20.848 8.991 1.00 2.04 C ATOM 344 C PHE A 23 -0.631 -21.141 10.003 1.00 45.11 C ATOM 345 O PHE A 23 -1.554 -21.910 9.730 1.00 4.54 O ATOM 346 CB PHE A 23 1.222 -22.133 8.654 1.00 64.23 C ATOM 347 CG PHE A 23 1.983 -22.057 7.362 1.00 74.21 C ATOM 348 CD1 PHE A 23 1.367 -22.385 6.166 1.00 43.13 C ATOM 349 CD2 PHE A 23 3.310 -21.663 7.342 1.00 34.42 C ATOM 350 CE1 PHE A 23 2.061 -22.321 4.972 1.00 62.24 C ATOM 351 CE2 PHE A 23 4.007 -21.596 6.153 1.00 24.22 C ATOM 352 CZ PHE A 23 3.382 -21.926 4.965 1.00 15.32 C ATOM 0 H PHE A 23 2.280 -20.197 9.830 1.00 30.41 H new ATOM 0 HA PHE A 23 0.009 -20.458 8.084 1.00 2.04 H new ATOM 0 HB2 PHE A 23 1.916 -22.363 9.463 1.00 64.23 H new ATOM 0 HB3 PHE A 23 0.510 -22.957 8.600 1.00 64.23 H new ATOM 0 HD1 PHE A 23 0.332 -22.694 6.166 1.00 43.13 H new ATOM 0 HD2 PHE A 23 3.805 -21.405 8.267 1.00 34.42 H new ATOM 0 HE1 PHE A 23 1.569 -22.580 4.046 1.00 62.24 H new ATOM 0 HE2 PHE A 23 5.041 -21.286 6.151 1.00 24.22 H new ATOM 0 HZ PHE A 23 3.927 -21.875 4.034 1.00 15.32 H new ATOM 362 N GLU A 24 -0.540 -20.505 11.163 1.00 44.41 N ATOM 363 CA GLU A 24 -1.490 -20.732 12.237 1.00 23.13 C ATOM 364 C GLU A 24 -2.248 -19.455 12.585 1.00 53.22 C ATOM 365 O GLU A 24 -2.915 -19.393 13.618 1.00 2.34 O ATOM 366 CB GLU A 24 -0.761 -21.254 13.473 1.00 71.12 C ATOM 367 CG GLU A 24 0.005 -22.539 13.228 1.00 11.43 C ATOM 368 CD GLU A 24 0.732 -23.013 14.464 1.00 74.12 C ATOM 369 OE1 GLU A 24 1.881 -22.579 14.681 1.00 20.35 O ATOM 370 OE2 GLU A 24 0.161 -23.818 15.225 1.00 20.01 O ATOM 0 H GLU A 24 0.187 -19.824 11.382 1.00 44.41 H new ATOM 0 HA GLU A 24 -2.213 -21.474 11.898 1.00 23.13 H new ATOM 0 HB2 GLU A 24 -0.069 -20.490 13.826 1.00 71.12 H new ATOM 0 HB3 GLU A 24 -1.486 -21.419 14.270 1.00 71.12 H new ATOM 0 HG2 GLU A 24 -0.685 -23.314 12.895 1.00 11.43 H new ATOM 0 HG3 GLU A 24 0.723 -22.384 12.423 1.00 11.43 H new ATOM 377 N THR A 25 -2.156 -18.442 11.726 1.00 55.21 N ATOM 378 CA THR A 25 -2.859 -17.188 11.964 1.00 41.33 C ATOM 379 C THR A 25 -4.355 -17.363 11.723 1.00 32.12 C ATOM 380 O THR A 25 -4.773 -17.840 10.666 1.00 65.21 O ATOM 381 CB THR A 25 -2.343 -16.047 11.059 1.00 20.14 C ATOM 382 OG1 THR A 25 -0.922 -15.917 11.171 1.00 24.12 O ATOM 383 CG2 THR A 25 -2.995 -14.723 11.433 1.00 55.22 C ATOM 0 H THR A 25 -1.606 -18.466 10.867 1.00 55.21 H new ATOM 0 HA THR A 25 -2.671 -16.917 13.003 1.00 41.33 H new ATOM 0 HB THR A 25 -2.604 -16.298 10.031 1.00 20.14 H new ATOM 0 HG1 THR A 25 -0.569 -16.648 11.721 1.00 24.12 H new ATOM 0 HG21 THR A 25 -2.616 -13.934 10.783 1.00 55.22 H new ATOM 0 HG22 THR A 25 -4.076 -14.803 11.315 1.00 55.22 H new ATOM 0 HG23 THR A 25 -2.760 -14.482 12.470 1.00 55.22 H new ATOM 391 N THR A 26 -5.153 -16.996 12.712 1.00 5.41 N ATOM 392 CA THR A 26 -6.595 -17.028 12.578 1.00 61.43 C ATOM 393 C THR A 26 -7.131 -15.611 12.429 1.00 13.41 C ATOM 394 O THR A 26 -6.416 -14.641 12.692 1.00 43.15 O ATOM 395 CB THR A 26 -7.252 -17.718 13.788 1.00 20.03 C ATOM 396 OG1 THR A 26 -6.775 -17.135 15.006 1.00 21.30 O ATOM 397 CG2 THR A 26 -6.950 -19.206 13.789 1.00 43.44 C ATOM 0 H THR A 26 -4.822 -16.671 13.620 1.00 5.41 H new ATOM 0 HA THR A 26 -6.843 -17.605 11.687 1.00 61.43 H new ATOM 0 HB THR A 26 -8.330 -17.577 13.714 1.00 20.03 H new ATOM 0 HG1 THR A 26 -7.199 -17.579 15.769 1.00 21.30 H new ATOM 0 HG21 THR A 26 -7.424 -19.673 14.652 1.00 43.44 H new ATOM 0 HG22 THR A 26 -7.337 -19.656 12.875 1.00 43.44 H new ATOM 0 HG23 THR A 26 -5.872 -19.358 13.840 1.00 43.44 H new ATOM 405 N ASP A 27 -8.382 -15.488 12.004 1.00 74.34 N ATOM 406 CA ASP A 27 -8.993 -14.178 11.785 1.00 50.24 C ATOM 407 C ASP A 27 -9.187 -13.439 13.105 1.00 23.13 C ATOM 408 O ASP A 27 -9.225 -12.212 13.135 1.00 65.44 O ATOM 409 CB ASP A 27 -10.337 -14.323 11.052 1.00 22.21 C ATOM 410 CG ASP A 27 -11.462 -14.817 11.949 1.00 34.11 C ATOM 411 OD1 ASP A 27 -11.311 -15.888 12.572 1.00 1.24 O ATOM 412 OD2 ASP A 27 -12.500 -14.132 12.042 1.00 62.21 O ATOM 0 H ASP A 27 -8.995 -16.278 11.803 1.00 74.34 H new ATOM 0 HA ASP A 27 -8.318 -13.592 11.161 1.00 50.24 H new ATOM 0 HB2 ASP A 27 -10.617 -13.359 10.627 1.00 22.21 H new ATOM 0 HB3 ASP A 27 -10.216 -15.015 10.219 1.00 22.21 H new ATOM 417 N GLU A 28 -9.282 -14.194 14.193 1.00 31.20 N ATOM 418 CA GLU A 28 -9.512 -13.620 15.510 1.00 30.25 C ATOM 419 C GLU A 28 -8.221 -13.084 16.131 1.00 65.44 C ATOM 420 O GLU A 28 -8.241 -12.064 16.816 1.00 61.24 O ATOM 421 CB GLU A 28 -10.159 -14.657 16.428 1.00 15.13 C ATOM 422 CG GLU A 28 -9.405 -15.973 16.497 1.00 21.43 C ATOM 423 CD GLU A 28 -10.067 -16.973 17.413 1.00 15.14 C ATOM 424 OE1 GLU A 28 -10.982 -17.684 16.955 1.00 23.55 O ATOM 425 OE2 GLU A 28 -9.680 -17.048 18.594 1.00 11.23 O ATOM 0 H GLU A 28 -9.203 -15.211 14.187 1.00 31.20 H new ATOM 0 HA GLU A 28 -10.189 -12.774 15.391 1.00 30.25 H new ATOM 0 HB2 GLU A 28 -10.236 -14.241 17.432 1.00 15.13 H new ATOM 0 HB3 GLU A 28 -11.175 -14.849 16.083 1.00 15.13 H new ATOM 0 HG2 GLU A 28 -9.329 -16.397 15.496 1.00 21.43 H new ATOM 0 HG3 GLU A 28 -8.388 -15.787 16.842 1.00 21.43 H new ATOM 432 N SER A 29 -7.102 -13.760 15.879 1.00 51.25 N ATOM 433 CA SER A 29 -5.816 -13.333 16.422 1.00 52.14 C ATOM 434 C SER A 29 -5.268 -12.154 15.624 1.00 24.24 C ATOM 435 O SER A 29 -4.656 -11.241 16.182 1.00 53.55 O ATOM 436 CB SER A 29 -4.814 -14.494 16.428 1.00 53.44 C ATOM 437 OG SER A 29 -4.851 -15.213 15.206 1.00 74.22 O ATOM 0 H SER A 29 -7.060 -14.602 15.305 1.00 51.25 H new ATOM 0 HA SER A 29 -5.968 -13.013 17.453 1.00 52.14 H new ATOM 0 HB2 SER A 29 -3.808 -14.108 16.595 1.00 53.44 H new ATOM 0 HB3 SER A 29 -5.039 -15.167 17.255 1.00 53.44 H new ATOM 0 HG SER A 29 -5.572 -15.876 15.238 1.00 74.22 H new ATOM 443 N LEU A 30 -5.511 -12.182 14.315 1.00 1.43 N ATOM 444 CA LEU A 30 -5.148 -11.083 13.431 1.00 63.24 C ATOM 445 C LEU A 30 -5.921 -9.828 13.827 1.00 42.22 C ATOM 446 O LEU A 30 -5.344 -8.749 13.973 1.00 42.13 O ATOM 447 CB LEU A 30 -5.444 -11.469 11.975 1.00 10.12 C ATOM 448 CG LEU A 30 -4.899 -10.517 10.908 1.00 23.22 C ATOM 449 CD1 LEU A 30 -3.393 -10.372 11.039 1.00 61.24 C ATOM 450 CD2 LEU A 30 -5.265 -11.013 9.515 1.00 25.43 C ATOM 0 H LEU A 30 -5.963 -12.964 13.842 1.00 1.43 H new ATOM 0 HA LEU A 30 -4.082 -10.876 13.523 1.00 63.24 H new ATOM 0 HB2 LEU A 30 -5.034 -12.462 11.792 1.00 10.12 H new ATOM 0 HB3 LEU A 30 -6.524 -11.543 11.851 1.00 10.12 H new ATOM 0 HG LEU A 30 -5.353 -9.538 11.058 1.00 23.22 H new ATOM 0 HD11 LEU A 30 -3.025 -9.691 10.271 1.00 61.24 H new ATOM 0 HD12 LEU A 30 -3.150 -9.974 12.024 1.00 61.24 H new ATOM 0 HD13 LEU A 30 -2.921 -11.347 10.916 1.00 61.24 H new ATOM 0 HD21 LEU A 30 -4.870 -10.324 8.768 1.00 25.43 H new ATOM 0 HD22 LEU A 30 -4.838 -12.003 9.358 1.00 25.43 H new ATOM 0 HD23 LEU A 30 -6.350 -11.067 9.421 1.00 25.43 H new ATOM 462 N ARG A 31 -7.229 -9.994 14.001 1.00 42.14 N ATOM 463 CA ARG A 31 -8.102 -8.943 14.511 1.00 12.24 C ATOM 464 C ARG A 31 -7.608 -8.391 15.844 1.00 22.33 C ATOM 465 O ARG A 31 -7.315 -7.209 15.947 1.00 1.30 O ATOM 466 CB ARG A 31 -9.513 -9.501 14.677 1.00 21.44 C ATOM 467 CG ARG A 31 -10.528 -8.516 15.228 1.00 15.23 C ATOM 468 CD ARG A 31 -11.870 -9.193 15.432 1.00 32.14 C ATOM 469 NE ARG A 31 -12.344 -9.810 14.199 1.00 73.02 N ATOM 470 CZ ARG A 31 -12.668 -11.096 14.066 1.00 70.54 C ATOM 471 NH1 ARG A 31 -12.576 -11.929 15.098 1.00 53.33 N ATOM 472 NH2 ARG A 31 -13.079 -11.546 12.888 1.00 31.04 N ATOM 0 H ARG A 31 -7.715 -10.866 13.791 1.00 42.14 H new ATOM 0 HA ARG A 31 -8.100 -8.122 13.794 1.00 12.24 H new ATOM 0 HB2 ARG A 31 -9.863 -9.858 13.709 1.00 21.44 H new ATOM 0 HB3 ARG A 31 -9.471 -10.366 15.339 1.00 21.44 H new ATOM 0 HG2 ARG A 31 -10.172 -8.109 16.174 1.00 15.23 H new ATOM 0 HG3 ARG A 31 -10.638 -7.676 14.542 1.00 15.23 H new ATOM 0 HD2 ARG A 31 -11.783 -9.951 16.211 1.00 32.14 H new ATOM 0 HD3 ARG A 31 -12.600 -8.462 15.779 1.00 32.14 H new ATOM 0 HE ARG A 31 -12.434 -9.213 13.377 1.00 73.02 H new ATOM 0 HH11 ARG A 31 -12.255 -11.586 16.003 1.00 53.33 H new ATOM 0 HH12 ARG A 31 -12.827 -12.911 14.985 1.00 53.33 H new ATOM 0 HH21 ARG A 31 -13.145 -10.910 12.094 1.00 31.04 H new ATOM 0 HH22 ARG A 31 -13.329 -12.529 12.776 1.00 31.04 H new ATOM 486 N SER A 32 -7.518 -9.270 16.844 1.00 51.42 N ATOM 487 CA SER A 32 -7.106 -8.909 18.205 1.00 53.35 C ATOM 488 C SER A 32 -5.841 -8.045 18.230 1.00 31.23 C ATOM 489 O SER A 32 -5.745 -7.100 19.017 1.00 4.14 O ATOM 490 CB SER A 32 -6.882 -10.183 19.022 1.00 71.20 C ATOM 491 OG SER A 32 -6.635 -9.892 20.388 1.00 45.45 O ATOM 0 H SER A 32 -7.731 -10.261 16.733 1.00 51.42 H new ATOM 0 HA SER A 32 -7.907 -8.313 18.642 1.00 53.35 H new ATOM 0 HB2 SER A 32 -7.757 -10.827 18.939 1.00 71.20 H new ATOM 0 HB3 SER A 32 -6.039 -10.737 18.609 1.00 71.20 H new ATOM 0 HG SER A 32 -6.498 -10.728 20.881 1.00 45.45 H new ATOM 497 N HIS A 33 -4.894 -8.356 17.352 1.00 20.35 N ATOM 498 CA HIS A 33 -3.641 -7.618 17.275 1.00 64.14 C ATOM 499 C HIS A 33 -3.875 -6.184 16.790 1.00 31.14 C ATOM 500 O HIS A 33 -3.525 -5.228 17.470 1.00 1.54 O ATOM 501 CB HIS A 33 -2.664 -8.344 16.344 1.00 61.04 C ATOM 502 CG HIS A 33 -1.320 -7.688 16.231 1.00 0.22 C ATOM 503 ND1 HIS A 33 -0.331 -7.910 17.153 1.00 71.11 N ATOM 504 CD2 HIS A 33 -0.855 -6.842 15.284 1.00 64.04 C ATOM 505 CE1 HIS A 33 0.707 -7.202 16.748 1.00 51.12 C ATOM 506 NE2 HIS A 33 0.435 -6.536 15.620 1.00 64.04 N ATOM 0 H HIS A 33 -4.972 -9.119 16.680 1.00 20.35 H new ATOM 0 HA HIS A 33 -3.210 -7.567 18.275 1.00 64.14 H new ATOM 0 HB2 HIS A 33 -2.529 -9.365 16.702 1.00 61.04 H new ATOM 0 HB3 HIS A 33 -3.108 -8.411 15.351 1.00 61.04 H new ATOM 0 HD1 HIS A 33 -0.386 -8.501 17.982 1.00 71.11 H new ATOM 0 HD2 HIS A 33 -1.399 -6.477 14.425 1.00 64.04 H new ATOM 0 HE1 HIS A 33 1.656 -7.165 17.262 1.00 51.12 H new ATOM 514 N PHE A 34 -4.496 -6.041 15.631 1.00 14.52 N ATOM 515 CA PHE A 34 -4.661 -4.731 15.008 1.00 53.23 C ATOM 516 C PHE A 34 -5.758 -3.914 15.693 1.00 2.31 C ATOM 517 O PHE A 34 -5.801 -2.689 15.567 1.00 33.54 O ATOM 518 CB PHE A 34 -4.931 -4.892 13.511 1.00 32.32 C ATOM 519 CG PHE A 34 -3.701 -5.279 12.731 1.00 51.21 C ATOM 520 CD1 PHE A 34 -2.857 -4.307 12.219 1.00 14.53 C ATOM 521 CD2 PHE A 34 -3.383 -6.613 12.519 1.00 41.32 C ATOM 522 CE1 PHE A 34 -1.724 -4.657 11.509 1.00 0.41 C ATOM 523 CE2 PHE A 34 -2.250 -6.968 11.810 1.00 4.35 C ATOM 524 CZ PHE A 34 -1.418 -5.989 11.305 1.00 61.32 C ATOM 0 H PHE A 34 -4.896 -6.814 15.099 1.00 14.52 H new ATOM 0 HA PHE A 34 -3.732 -4.174 15.132 1.00 53.23 H new ATOM 0 HB2 PHE A 34 -5.701 -5.650 13.365 1.00 32.32 H new ATOM 0 HB3 PHE A 34 -5.326 -3.956 13.116 1.00 32.32 H new ATOM 0 HD1 PHE A 34 -3.087 -3.264 12.376 1.00 14.53 H new ATOM 0 HD2 PHE A 34 -4.029 -7.384 12.913 1.00 41.32 H new ATOM 0 HE1 PHE A 34 -1.077 -3.888 11.113 1.00 0.41 H new ATOM 0 HE2 PHE A 34 -2.016 -8.010 11.651 1.00 4.35 H new ATOM 0 HZ PHE A 34 -0.531 -6.263 10.753 1.00 61.32 H new ATOM 534 N GLU A 35 -6.621 -4.602 16.438 1.00 31.54 N ATOM 535 CA GLU A 35 -7.638 -3.967 17.282 1.00 71.31 C ATOM 536 C GLU A 35 -7.015 -3.026 18.308 1.00 2.12 C ATOM 537 O GLU A 35 -7.672 -2.119 18.816 1.00 65.21 O ATOM 538 CB GLU A 35 -8.435 -5.038 18.018 1.00 74.45 C ATOM 539 CG GLU A 35 -9.704 -5.462 17.305 1.00 30.51 C ATOM 540 CD GLU A 35 -10.767 -4.385 17.331 1.00 4.54 C ATOM 541 OE1 GLU A 35 -10.928 -3.728 18.379 1.00 74.23 O ATOM 542 OE2 GLU A 35 -11.461 -4.209 16.320 1.00 53.13 O ATOM 0 H GLU A 35 -6.637 -5.621 16.475 1.00 31.54 H new ATOM 0 HA GLU A 35 -8.289 -3.384 16.630 1.00 71.31 H new ATOM 0 HB2 GLU A 35 -7.801 -5.913 18.162 1.00 74.45 H new ATOM 0 HB3 GLU A 35 -8.694 -4.666 19.009 1.00 74.45 H new ATOM 0 HG2 GLU A 35 -9.470 -5.713 16.270 1.00 30.51 H new ATOM 0 HG3 GLU A 35 -10.095 -6.366 17.772 1.00 30.51 H new ATOM 549 N GLN A 36 -5.745 -3.259 18.605 1.00 4.25 N ATOM 550 CA GLN A 36 -5.013 -2.475 19.591 1.00 20.44 C ATOM 551 C GLN A 36 -4.787 -1.036 19.132 1.00 54.12 C ATOM 552 O GLN A 36 -4.672 -0.127 19.957 1.00 24.01 O ATOM 553 CB GLN A 36 -3.678 -3.151 19.883 1.00 4.22 C ATOM 554 CG GLN A 36 -3.826 -4.485 20.594 1.00 15.33 C ATOM 555 CD GLN A 36 -2.513 -5.236 20.730 1.00 1.11 C ATOM 556 OE1 GLN A 36 -2.223 -5.812 21.778 1.00 22.11 O ATOM 557 NE2 GLN A 36 -1.744 -5.298 19.654 1.00 13.14 N ATOM 0 H GLN A 36 -5.192 -3.997 18.169 1.00 4.25 H new ATOM 0 HA GLN A 36 -5.615 -2.430 20.499 1.00 20.44 H new ATOM 0 HB2 GLN A 36 -3.143 -3.303 18.946 1.00 4.22 H new ATOM 0 HB3 GLN A 36 -3.068 -2.486 20.494 1.00 4.22 H new ATOM 0 HG2 GLN A 36 -4.246 -4.317 21.586 1.00 15.33 H new ATOM 0 HG3 GLN A 36 -4.537 -5.104 20.047 1.00 15.33 H new ATOM 0 HE21 GLN A 36 -2.017 -4.807 18.803 1.00 13.14 H new ATOM 0 HE22 GLN A 36 -0.878 -5.837 19.676 1.00 13.14 H new ATOM 566 N TRP A 37 -4.730 -0.828 17.823 1.00 4.33 N ATOM 567 CA TRP A 37 -4.484 0.501 17.278 1.00 1.40 C ATOM 568 C TRP A 37 -5.772 1.156 16.793 1.00 13.41 C ATOM 569 O TRP A 37 -5.835 2.378 16.656 1.00 22.42 O ATOM 570 CB TRP A 37 -3.446 0.437 16.158 1.00 12.00 C ATOM 571 CG TRP A 37 -2.072 0.134 16.673 1.00 63.31 C ATOM 572 CD1 TRP A 37 -1.139 1.036 17.092 1.00 41.14 C ATOM 573 CD2 TRP A 37 -1.482 -1.160 16.837 1.00 53.21 C ATOM 574 NE1 TRP A 37 -0.009 0.381 17.517 1.00 0.44 N ATOM 575 CE2 TRP A 37 -0.191 -0.967 17.363 1.00 64.53 C ATOM 576 CE3 TRP A 37 -1.916 -2.460 16.587 1.00 54.11 C ATOM 577 CZ2 TRP A 37 0.666 -2.026 17.642 1.00 23.42 C ATOM 578 CZ3 TRP A 37 -1.067 -3.511 16.869 1.00 52.31 C ATOM 579 CH2 TRP A 37 0.211 -3.290 17.392 1.00 30.50 C ATOM 0 H TRP A 37 -4.850 -1.559 17.122 1.00 4.33 H new ATOM 0 HA TRP A 37 -4.087 1.122 18.081 1.00 1.40 H new ATOM 0 HB2 TRP A 37 -3.738 -0.327 15.438 1.00 12.00 H new ATOM 0 HB3 TRP A 37 -3.430 1.388 15.625 1.00 12.00 H new ATOM 0 HD1 TRP A 37 -1.269 2.108 17.090 1.00 41.14 H new ATOM 0 HE1 TRP A 37 0.830 0.827 17.888 1.00 0.44 H new ATOM 0 HE3 TRP A 37 -2.900 -2.642 16.180 1.00 54.11 H new ATOM 0 HZ2 TRP A 37 1.655 -1.856 18.042 1.00 23.42 H new ATOM 0 HZ3 TRP A 37 -1.396 -4.523 16.682 1.00 52.31 H new ATOM 0 HH2 TRP A 37 0.851 -4.134 17.602 1.00 30.50 H new ATOM 590 N GLY A 38 -6.793 0.355 16.529 1.00 1.22 N ATOM 591 CA GLY A 38 -8.078 0.909 16.159 1.00 60.12 C ATOM 592 C GLY A 38 -9.134 -0.157 15.980 1.00 2.12 C ATOM 593 O GLY A 38 -8.816 -1.340 15.890 1.00 14.34 O ATOM 0 H GLY A 38 -6.755 -0.664 16.564 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -8.402 1.612 16.926 1.00 60.12 H new ATOM 0 HA3 GLY A 38 -7.974 1.473 15.232 1.00 60.12 H new ATOM 597 N THR A 39 -10.389 0.269 15.937 1.00 11.11 N ATOM 598 CA THR A 39 -11.508 -0.642 15.765 1.00 25.40 C ATOM 599 C THR A 39 -11.562 -1.198 14.345 1.00 21.04 C ATOM 600 O THR A 39 -11.657 -0.451 13.377 1.00 3.24 O ATOM 601 CB THR A 39 -12.841 0.058 16.088 1.00 74.41 C ATOM 602 OG1 THR A 39 -12.834 0.513 17.445 1.00 10.15 O ATOM 603 CG2 THR A 39 -14.016 -0.881 15.862 1.00 2.31 C ATOM 0 H THR A 39 -10.657 1.250 16.020 1.00 11.11 H new ATOM 0 HA THR A 39 -11.357 -1.469 16.459 1.00 25.40 H new ATOM 0 HB THR A 39 -12.952 0.912 15.420 1.00 74.41 H new ATOM 0 HG1 THR A 39 -13.683 0.959 17.645 1.00 10.15 H new ATOM 0 HG21 THR A 39 -14.946 -0.363 16.097 1.00 2.31 H new ATOM 0 HG22 THR A 39 -14.032 -1.200 14.820 1.00 2.31 H new ATOM 0 HG23 THR A 39 -13.914 -1.754 16.507 1.00 2.31 H new ATOM 611 N LEU A 40 -11.462 -2.508 14.243 1.00 54.02 N ATOM 612 CA LEU A 40 -11.607 -3.197 12.974 1.00 54.43 C ATOM 613 C LEU A 40 -13.073 -3.457 12.660 1.00 72.41 C ATOM 614 O LEU A 40 -13.856 -3.823 13.536 1.00 25.11 O ATOM 615 CB LEU A 40 -10.841 -4.519 12.993 1.00 11.24 C ATOM 616 CG LEU A 40 -9.332 -4.397 13.205 1.00 34.33 C ATOM 617 CD1 LEU A 40 -8.703 -5.772 13.256 1.00 34.22 C ATOM 618 CD2 LEU A 40 -8.696 -3.577 12.101 1.00 73.51 C ATOM 0 H LEU A 40 -11.278 -3.125 15.034 1.00 54.02 H new ATOM 0 HA LEU A 40 -11.193 -2.555 12.196 1.00 54.43 H new ATOM 0 HB2 LEU A 40 -11.253 -5.147 13.783 1.00 11.24 H new ATOM 0 HB3 LEU A 40 -11.018 -5.036 12.050 1.00 11.24 H new ATOM 0 HG LEU A 40 -9.160 -3.888 14.153 1.00 34.33 H new ATOM 0 HD11 LEU A 40 -7.628 -5.675 13.407 1.00 34.22 H new ATOM 0 HD12 LEU A 40 -9.136 -6.340 14.080 1.00 34.22 H new ATOM 0 HD13 LEU A 40 -8.892 -6.293 12.318 1.00 34.22 H new ATOM 0 HD21 LEU A 40 -7.622 -3.504 12.274 1.00 73.51 H new ATOM 0 HD22 LEU A 40 -8.877 -4.058 11.140 1.00 73.51 H new ATOM 0 HD23 LEU A 40 -9.131 -2.577 12.094 1.00 73.51 H new ATOM 630 N THR A 41 -13.429 -3.250 11.407 1.00 44.44 N ATOM 631 CA THR A 41 -14.770 -3.515 10.924 1.00 1.02 C ATOM 632 C THR A 41 -14.824 -4.882 10.243 1.00 41.40 C ATOM 633 O THR A 41 -15.880 -5.519 10.177 1.00 4.42 O ATOM 634 CB THR A 41 -15.217 -2.416 9.935 1.00 44.44 C ATOM 635 OG1 THR A 41 -14.187 -2.179 8.967 1.00 34.10 O ATOM 636 CG2 THR A 41 -15.528 -1.118 10.665 1.00 74.43 C ATOM 0 H THR A 41 -12.794 -2.892 10.693 1.00 44.44 H new ATOM 0 HA THR A 41 -15.450 -3.515 11.776 1.00 1.02 H new ATOM 0 HB THR A 41 -16.121 -2.762 9.434 1.00 44.44 H new ATOM 0 HG1 THR A 41 -13.741 -1.329 9.166 1.00 34.10 H new ATOM 0 HG21 THR A 41 -15.840 -0.361 9.945 1.00 74.43 H new ATOM 0 HG22 THR A 41 -16.330 -1.288 11.384 1.00 74.43 H new ATOM 0 HG23 THR A 41 -14.637 -0.773 11.190 1.00 74.43 H new ATOM 644 N ASP A 42 -13.675 -5.327 9.743 1.00 3.01 N ATOM 645 CA ASP A 42 -13.562 -6.627 9.089 1.00 30.11 C ATOM 646 C ASP A 42 -12.158 -7.183 9.267 1.00 42.42 C ATOM 647 O ASP A 42 -11.202 -6.421 9.393 1.00 63.11 O ATOM 648 CB ASP A 42 -13.862 -6.499 7.597 1.00 51.13 C ATOM 649 CG ASP A 42 -14.062 -7.837 6.919 1.00 31.12 C ATOM 650 OD1 ASP A 42 -15.113 -8.465 7.134 1.00 45.33 O ATOM 651 OD2 ASP A 42 -13.164 -8.265 6.163 1.00 44.40 O ATOM 0 H ASP A 42 -12.802 -4.801 9.779 1.00 3.01 H new ATOM 0 HA ASP A 42 -14.284 -7.304 9.547 1.00 30.11 H new ATOM 0 HB2 ASP A 42 -14.757 -5.892 7.462 1.00 51.13 H new ATOM 0 HB3 ASP A 42 -13.042 -5.970 7.111 1.00 51.13 H new ATOM 656 N CYS A 43 -12.037 -8.498 9.299 1.00 71.01 N ATOM 657 CA CYS A 43 -10.740 -9.155 9.343 1.00 2.34 C ATOM 658 C CYS A 43 -10.863 -10.588 8.854 1.00 45.35 C ATOM 659 O CYS A 43 -11.689 -11.351 9.358 1.00 14.21 O ATOM 660 CB CYS A 43 -10.180 -9.148 10.767 1.00 15.01 C ATOM 661 SG CYS A 43 -8.675 -10.127 10.969 1.00 22.22 S ATOM 0 H CYS A 43 -12.830 -9.139 9.295 1.00 71.01 H new ATOM 0 HA CYS A 43 -10.058 -8.607 8.693 1.00 2.34 H new ATOM 0 HB2 CYS A 43 -9.974 -8.119 11.060 1.00 15.01 H new ATOM 0 HB3 CYS A 43 -10.942 -9.527 11.448 1.00 15.01 H new ATOM 0 HG CYS A 43 -8.914 -11.132 11.759 1.00 22.22 H new ATOM 667 N VAL A 44 -10.045 -10.957 7.874 1.00 72.43 N ATOM 668 CA VAL A 44 -10.033 -12.316 7.373 1.00 12.23 C ATOM 669 C VAL A 44 -8.623 -12.714 6.938 1.00 34.02 C ATOM 670 O VAL A 44 -7.964 -12.006 6.174 1.00 52.22 O ATOM 671 CB VAL A 44 -11.049 -12.526 6.211 1.00 62.21 C ATOM 672 CG1 VAL A 44 -10.799 -11.563 5.064 1.00 13.42 C ATOM 673 CG2 VAL A 44 -11.015 -13.967 5.715 1.00 1.13 C ATOM 0 H VAL A 44 -9.384 -10.330 7.415 1.00 72.43 H new ATOM 0 HA VAL A 44 -10.346 -12.965 8.191 1.00 12.23 H new ATOM 0 HB VAL A 44 -12.043 -12.317 6.607 1.00 62.21 H new ATOM 0 HG11 VAL A 44 -11.528 -11.741 4.274 1.00 13.42 H new ATOM 0 HG12 VAL A 44 -10.895 -10.538 5.422 1.00 13.42 H new ATOM 0 HG13 VAL A 44 -9.794 -11.717 4.672 1.00 13.42 H new ATOM 0 HG21 VAL A 44 -11.733 -14.090 4.904 1.00 1.13 H new ATOM 0 HG22 VAL A 44 -10.014 -14.204 5.353 1.00 1.13 H new ATOM 0 HG23 VAL A 44 -11.274 -14.640 6.533 1.00 1.13 H new ATOM 683 N VAL A 45 -8.152 -13.824 7.473 1.00 61.20 N ATOM 684 CA VAL A 45 -6.890 -14.400 7.051 1.00 34.34 C ATOM 685 C VAL A 45 -7.155 -15.385 5.917 1.00 10.12 C ATOM 686 O VAL A 45 -8.085 -16.188 5.996 1.00 20.15 O ATOM 687 CB VAL A 45 -6.164 -15.096 8.234 1.00 72.01 C ATOM 688 CG1 VAL A 45 -7.077 -16.092 8.925 1.00 41.34 C ATOM 689 CG2 VAL A 45 -4.885 -15.780 7.775 1.00 41.11 C ATOM 0 H VAL A 45 -8.629 -14.348 8.207 1.00 61.20 H new ATOM 0 HA VAL A 45 -6.233 -13.605 6.698 1.00 34.34 H new ATOM 0 HB VAL A 45 -5.895 -14.321 8.951 1.00 72.01 H new ATOM 0 HG11 VAL A 45 -6.543 -16.564 9.749 1.00 41.34 H new ATOM 0 HG12 VAL A 45 -7.955 -15.574 9.311 1.00 41.34 H new ATOM 0 HG13 VAL A 45 -7.390 -16.854 8.212 1.00 41.34 H new ATOM 0 HG21 VAL A 45 -4.402 -16.257 8.627 1.00 41.11 H new ATOM 0 HG22 VAL A 45 -5.124 -16.534 7.025 1.00 41.11 H new ATOM 0 HG23 VAL A 45 -4.211 -15.040 7.343 1.00 41.11 H new ATOM 699 N MET A 46 -6.375 -15.302 4.850 1.00 64.55 N ATOM 700 CA MET A 46 -6.582 -16.174 3.707 1.00 25.13 C ATOM 701 C MET A 46 -6.023 -17.548 3.977 1.00 3.54 C ATOM 702 O MET A 46 -4.818 -17.767 3.904 1.00 34.20 O ATOM 703 CB MET A 46 -5.938 -15.630 2.442 1.00 13.33 C ATOM 704 CG MET A 46 -6.476 -14.286 1.985 1.00 33.43 C ATOM 705 SD MET A 46 -7.852 -14.414 0.821 1.00 63.43 S ATOM 706 CE MET A 46 -9.153 -15.054 1.868 1.00 62.23 C ATOM 0 H MET A 46 -5.600 -14.646 4.753 1.00 64.55 H new ATOM 0 HA MET A 46 -7.660 -16.228 3.553 1.00 25.13 H new ATOM 0 HB2 MET A 46 -4.864 -15.539 2.607 1.00 13.33 H new ATOM 0 HB3 MET A 46 -6.077 -16.354 1.639 1.00 13.33 H new ATOM 0 HG2 MET A 46 -6.801 -13.719 2.857 1.00 33.43 H new ATOM 0 HG3 MET A 46 -5.669 -13.720 1.519 1.00 33.43 H new ATOM 0 HE1 MET A 46 -10.123 -14.777 1.454 1.00 62.23 H new ATOM 0 HE2 MET A 46 -9.077 -16.140 1.920 1.00 62.23 H new ATOM 0 HE3 MET A 46 -9.053 -14.635 2.869 1.00 62.23 H new ATOM 716 N ARG A 47 -6.899 -18.450 4.336 1.00 33.45 N ATOM 717 CA ARG A 47 -6.517 -19.828 4.546 1.00 31.43 C ATOM 718 C ARG A 47 -6.889 -20.671 3.343 1.00 30.25 C ATOM 719 O ARG A 47 -7.715 -20.281 2.519 1.00 15.42 O ATOM 720 CB ARG A 47 -7.162 -20.391 5.813 1.00 44.20 C ATOM 721 CG ARG A 47 -6.782 -19.622 7.069 1.00 61.34 C ATOM 722 CD ARG A 47 -7.582 -20.072 8.278 1.00 33.41 C ATOM 723 NE ARG A 47 -7.196 -21.401 8.749 1.00 53.05 N ATOM 724 CZ ARG A 47 -7.310 -21.797 10.017 1.00 72.03 C ATOM 725 NH1 ARG A 47 -7.800 -20.971 10.934 1.00 3.22 N ATOM 726 NH2 ARG A 47 -6.940 -23.020 10.368 1.00 74.52 N ATOM 0 H ARG A 47 -7.888 -18.256 4.491 1.00 33.45 H new ATOM 0 HA ARG A 47 -5.435 -19.862 4.674 1.00 31.43 H new ATOM 0 HB2 ARG A 47 -8.246 -20.376 5.699 1.00 44.20 H new ATOM 0 HB3 ARG A 47 -6.868 -21.434 5.930 1.00 44.20 H new ATOM 0 HG2 ARG A 47 -5.719 -19.756 7.268 1.00 61.34 H new ATOM 0 HG3 ARG A 47 -6.943 -18.557 6.904 1.00 61.34 H new ATOM 0 HD2 ARG A 47 -7.448 -19.352 9.085 1.00 33.41 H new ATOM 0 HD3 ARG A 47 -8.642 -20.074 8.026 1.00 33.41 H new ATOM 0 HE ARG A 47 -6.819 -22.062 8.070 1.00 53.05 H new ATOM 0 HH11 ARG A 47 -8.091 -20.030 10.669 1.00 3.22 H new ATOM 0 HH12 ARG A 47 -7.886 -21.278 11.903 1.00 3.22 H new ATOM 0 HH21 ARG A 47 -6.567 -23.661 9.667 1.00 74.52 H new ATOM 0 HH22 ARG A 47 -7.028 -23.321 11.339 1.00 74.52 H new ATOM 740 N ASP A 48 -6.258 -21.821 3.253 1.00 65.41 N ATOM 741 CA ASP A 48 -6.449 -22.733 2.146 1.00 12.14 C ATOM 742 C ASP A 48 -7.678 -23.603 2.391 1.00 22.12 C ATOM 743 O ASP A 48 -7.764 -24.262 3.415 1.00 0.33 O ATOM 744 CB ASP A 48 -5.203 -23.609 2.013 1.00 23.32 C ATOM 745 CG ASP A 48 -5.167 -24.381 0.720 1.00 35.44 C ATOM 746 OD1 ASP A 48 -4.899 -23.772 -0.337 1.00 52.30 O ATOM 747 OD2 ASP A 48 -5.388 -25.607 0.758 1.00 72.51 O ATOM 0 H ASP A 48 -5.593 -22.152 3.951 1.00 65.41 H new ATOM 0 HA ASP A 48 -6.604 -22.170 1.226 1.00 12.14 H new ATOM 0 HB2 ASP A 48 -4.314 -22.981 2.081 1.00 23.32 H new ATOM 0 HB3 ASP A 48 -5.165 -24.307 2.849 1.00 23.32 H new ATOM 752 N PRO A 49 -8.659 -23.613 1.475 1.00 73.34 N ATOM 753 CA PRO A 49 -9.872 -24.429 1.634 1.00 64.13 C ATOM 754 C PRO A 49 -9.594 -25.933 1.670 1.00 60.45 C ATOM 755 O PRO A 49 -10.385 -26.701 2.219 1.00 12.33 O ATOM 756 CB PRO A 49 -10.716 -24.079 0.404 1.00 1.43 C ATOM 757 CG PRO A 49 -9.776 -23.449 -0.564 1.00 41.42 C ATOM 758 CD PRO A 49 -8.696 -22.798 0.251 1.00 14.10 C ATOM 0 HA PRO A 49 -10.360 -24.215 2.585 1.00 64.13 H new ATOM 0 HB2 PRO A 49 -11.177 -24.971 -0.021 1.00 1.43 H new ATOM 0 HB3 PRO A 49 -11.525 -23.396 0.665 1.00 1.43 H new ATOM 0 HG2 PRO A 49 -9.356 -24.195 -1.239 1.00 41.42 H new ATOM 0 HG3 PRO A 49 -10.291 -22.714 -1.183 1.00 41.42 H new ATOM 0 HD2 PRO A 49 -7.738 -22.809 -0.269 1.00 14.10 H new ATOM 0 HD3 PRO A 49 -8.929 -21.756 0.468 1.00 14.10 H new ATOM 766 N ASN A 50 -8.483 -26.353 1.080 1.00 32.15 N ATOM 767 CA ASN A 50 -8.127 -27.765 1.053 1.00 62.44 C ATOM 768 C ASN A 50 -7.406 -28.184 2.329 1.00 74.25 C ATOM 769 O ASN A 50 -7.837 -29.101 3.024 1.00 43.31 O ATOM 770 CB ASN A 50 -7.260 -28.081 -0.168 1.00 53.53 C ATOM 771 CG ASN A 50 -8.084 -28.354 -1.412 1.00 50.22 C ATOM 772 OD1 ASN A 50 -8.436 -29.498 -1.698 1.00 41.14 O ATOM 773 ND2 ASN A 50 -8.397 -27.311 -2.165 1.00 43.04 N ATOM 0 H ASN A 50 -7.815 -25.738 0.615 1.00 32.15 H new ATOM 0 HA ASN A 50 -9.054 -28.334 0.986 1.00 62.44 H new ATOM 0 HB2 ASN A 50 -6.588 -27.244 -0.358 1.00 53.53 H new ATOM 0 HB3 ASN A 50 -6.636 -28.948 0.048 1.00 53.53 H new ATOM 0 HD21 ASN A 50 -8.948 -27.442 -3.014 1.00 43.04 H new ATOM 0 HD22 ASN A 50 -8.088 -26.377 -1.896 1.00 43.04 H new ATOM 780 N THR A 51 -6.323 -27.481 2.650 1.00 55.43 N ATOM 781 CA THR A 51 -5.449 -27.879 3.752 1.00 22.33 C ATOM 782 C THR A 51 -5.841 -27.210 5.067 1.00 20.32 C ATOM 783 O THR A 51 -5.398 -27.621 6.140 1.00 75.50 O ATOM 784 CB THR A 51 -3.982 -27.541 3.425 1.00 15.10 C ATOM 785 OG1 THR A 51 -3.792 -27.523 2.000 1.00 52.42 O ATOM 786 CG2 THR A 51 -3.033 -28.558 4.045 1.00 11.31 C ATOM 0 H THR A 51 -6.029 -26.634 2.164 1.00 55.43 H new ATOM 0 HA THR A 51 -5.562 -28.956 3.873 1.00 22.33 H new ATOM 0 HB THR A 51 -3.761 -26.559 3.843 1.00 15.10 H new ATOM 0 HG1 THR A 51 -4.244 -26.741 1.620 1.00 52.42 H new ATOM 0 HG21 THR A 51 -2.005 -28.294 3.798 1.00 11.31 H new ATOM 0 HG22 THR A 51 -3.157 -28.558 5.128 1.00 11.31 H new ATOM 0 HG23 THR A 51 -3.257 -29.550 3.654 1.00 11.31 H new ATOM 794 N LYS A 52 -6.676 -26.182 4.962 1.00 52.13 N ATOM 795 CA LYS A 52 -7.192 -25.425 6.111 1.00 51.32 C ATOM 796 C LYS A 52 -6.069 -24.729 6.878 1.00 73.43 C ATOM 797 O LYS A 52 -6.161 -24.516 8.085 1.00 71.40 O ATOM 798 CB LYS A 52 -8.011 -26.318 7.055 1.00 1.32 C ATOM 799 CG LYS A 52 -9.077 -27.159 6.360 1.00 70.11 C ATOM 800 CD LYS A 52 -9.934 -26.330 5.416 1.00 71.02 C ATOM 801 CE LYS A 52 -11.339 -26.901 5.276 1.00 3.31 C ATOM 802 NZ LYS A 52 -11.331 -28.308 4.792 1.00 42.40 N ATOM 0 H LYS A 52 -7.022 -25.841 4.065 1.00 52.13 H new ATOM 0 HA LYS A 52 -7.854 -24.658 5.710 1.00 51.32 H new ATOM 0 HB2 LYS A 52 -7.331 -26.983 7.587 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -8.493 -25.689 7.804 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -8.597 -27.963 5.802 1.00 70.11 H new ATOM 0 HG3 LYS A 52 -9.714 -27.628 7.110 1.00 70.11 H new ATOM 0 HD2 LYS A 52 -9.993 -25.306 5.784 1.00 71.02 H new ATOM 0 HD3 LYS A 52 -9.459 -26.289 4.436 1.00 71.02 H new ATOM 0 HE2 LYS A 52 -11.846 -26.854 6.240 1.00 3.31 H new ATOM 0 HE3 LYS A 52 -11.912 -26.284 4.584 1.00 3.31 H new ATOM 0 HZ1 LYS A 52 -12.309 -28.631 4.648 1.00 42.40 H new ATOM 0 HZ2 LYS A 52 -10.812 -28.363 3.892 1.00 42.40 H new ATOM 0 HZ3 LYS A 52 -10.866 -28.915 5.497 1.00 42.40 H new ATOM 816 N ARG A 53 -5.022 -24.345 6.162 1.00 30.45 N ATOM 817 CA ARG A 53 -3.880 -23.686 6.779 1.00 5.33 C ATOM 818 C ARG A 53 -3.794 -22.271 6.250 1.00 23.53 C ATOM 819 O ARG A 53 -4.286 -21.996 5.159 1.00 51.21 O ATOM 820 CB ARG A 53 -2.571 -24.426 6.473 1.00 70.12 C ATOM 821 CG ARG A 53 -2.611 -25.927 6.735 1.00 4.13 C ATOM 822 CD ARG A 53 -2.906 -26.247 8.193 1.00 71.42 C ATOM 823 NE ARG A 53 -1.873 -25.741 9.091 1.00 52.12 N ATOM 824 CZ ARG A 53 -2.026 -25.629 10.409 1.00 35.32 C ATOM 825 NH1 ARG A 53 -3.168 -25.983 10.984 1.00 40.04 N ATOM 826 NH2 ARG A 53 -1.030 -25.166 11.155 1.00 1.03 N ATOM 0 H ARG A 53 -4.940 -24.478 5.154 1.00 30.45 H new ATOM 0 HA ARG A 53 -4.019 -23.686 7.860 1.00 5.33 H new ATOM 0 HB2 ARG A 53 -2.312 -24.260 5.427 1.00 70.12 H new ATOM 0 HB3 ARG A 53 -1.773 -23.988 7.072 1.00 70.12 H new ATOM 0 HG2 ARG A 53 -3.372 -26.384 6.103 1.00 4.13 H new ATOM 0 HG3 ARG A 53 -1.655 -26.369 6.454 1.00 4.13 H new ATOM 0 HD2 ARG A 53 -3.868 -25.816 8.470 1.00 71.42 H new ATOM 0 HD3 ARG A 53 -2.994 -27.327 8.315 1.00 71.42 H new ATOM 0 HE ARG A 53 -0.981 -25.456 8.685 1.00 52.12 H new ATOM 0 HH11 ARG A 53 -3.935 -26.343 10.416 1.00 40.04 H new ATOM 0 HH12 ARG A 53 -3.279 -25.895 11.994 1.00 40.04 H new ATOM 0 HH21 ARG A 53 -0.148 -24.896 10.718 1.00 1.03 H new ATOM 0 HH22 ARG A 53 -1.146 -25.080 12.165 1.00 1.03 H new ATOM 840 N SER A 54 -3.179 -21.379 7.005 1.00 21.13 N ATOM 841 CA SER A 54 -3.045 -20.002 6.573 1.00 4.35 C ATOM 842 C SER A 54 -2.063 -19.912 5.415 1.00 14.35 C ATOM 843 O SER A 54 -0.986 -20.501 5.456 1.00 65.53 O ATOM 844 CB SER A 54 -2.587 -19.126 7.737 1.00 64.31 C ATOM 845 OG SER A 54 -2.253 -17.816 7.310 1.00 31.24 O ATOM 0 H SER A 54 -2.767 -21.583 7.915 1.00 21.13 H new ATOM 0 HA SER A 54 -4.016 -19.641 6.233 1.00 4.35 H new ATOM 0 HB2 SER A 54 -3.377 -19.074 8.486 1.00 64.31 H new ATOM 0 HB3 SER A 54 -1.722 -19.583 8.218 1.00 64.31 H new ATOM 0 HG SER A 54 -1.414 -17.538 7.733 1.00 31.24 H new ATOM 851 N ARG A 55 -2.449 -19.171 4.386 1.00 63.41 N ATOM 852 CA ARG A 55 -1.621 -18.999 3.199 1.00 5.31 C ATOM 853 C ARG A 55 -0.562 -17.929 3.420 1.00 33.23 C ATOM 854 O ARG A 55 0.179 -17.576 2.504 1.00 22.54 O ATOM 855 CB ARG A 55 -2.492 -18.636 1.998 1.00 21.43 C ATOM 856 CG ARG A 55 -3.333 -19.796 1.500 1.00 71.12 C ATOM 857 CD ARG A 55 -4.424 -19.342 0.547 1.00 33.15 C ATOM 858 NE ARG A 55 -4.918 -20.462 -0.257 1.00 54.14 N ATOM 859 CZ ARG A 55 -5.978 -20.411 -1.062 1.00 72.32 C ATOM 860 NH1 ARG A 55 -6.677 -19.292 -1.193 1.00 5.42 N ATOM 861 NH2 ARG A 55 -6.345 -21.496 -1.732 1.00 64.20 N ATOM 0 H ARG A 55 -3.339 -18.675 4.349 1.00 63.41 H new ATOM 0 HA ARG A 55 -1.114 -19.943 3.000 1.00 5.31 H new ATOM 0 HB2 ARG A 55 -3.149 -17.809 2.270 1.00 21.43 H new ATOM 0 HB3 ARG A 55 -1.854 -18.283 1.188 1.00 21.43 H new ATOM 0 HG2 ARG A 55 -2.691 -20.519 0.997 1.00 71.12 H new ATOM 0 HG3 ARG A 55 -3.784 -20.307 2.350 1.00 71.12 H new ATOM 0 HD2 ARG A 55 -5.247 -18.905 1.112 1.00 33.15 H new ATOM 0 HD3 ARG A 55 -4.038 -18.562 -0.109 1.00 33.15 H new ATOM 0 HE ARG A 55 -4.413 -21.346 -0.196 1.00 54.14 H new ATOM 0 HH11 ARG A 55 -6.405 -18.457 -0.674 1.00 5.42 H new ATOM 0 HH12 ARG A 55 -7.487 -19.266 -1.813 1.00 5.42 H new ATOM 0 HH21 ARG A 55 -5.816 -22.362 -1.629 1.00 64.20 H new ATOM 0 HH22 ARG A 55 -7.156 -21.464 -2.350 1.00 64.20 H new ATOM 875 N GLY A 56 -0.496 -17.421 4.640 1.00 15.52 N ATOM 876 CA GLY A 56 0.538 -16.474 4.991 1.00 73.24 C ATOM 877 C GLY A 56 0.195 -15.040 4.654 1.00 3.32 C ATOM 878 O GLY A 56 1.081 -14.192 4.623 1.00 51.42 O ATOM 0 H GLY A 56 -1.143 -17.649 5.395 1.00 15.52 H new ATOM 0 HA2 GLY A 56 0.737 -16.548 6.060 1.00 73.24 H new ATOM 0 HA3 GLY A 56 1.458 -16.748 4.475 1.00 73.24 H new ATOM 882 N PHE A 57 -1.073 -14.753 4.394 1.00 43.41 N ATOM 883 CA PHE A 57 -1.497 -13.383 4.162 1.00 52.12 C ATOM 884 C PHE A 57 -2.986 -13.222 4.464 1.00 51.43 C ATOM 885 O PHE A 57 -3.743 -14.192 4.425 1.00 62.21 O ATOM 886 CB PHE A 57 -1.169 -12.938 2.725 1.00 13.32 C ATOM 887 CG PHE A 57 -1.979 -13.598 1.634 1.00 11.31 C ATOM 888 CD1 PHE A 57 -1.663 -14.871 1.178 1.00 14.52 C ATOM 889 CD2 PHE A 57 -3.039 -12.929 1.042 1.00 73.41 C ATOM 890 CE1 PHE A 57 -2.391 -15.459 0.161 1.00 12.03 C ATOM 891 CE2 PHE A 57 -3.765 -13.511 0.022 1.00 15.33 C ATOM 892 CZ PHE A 57 -3.442 -14.778 -0.418 1.00 41.02 C ATOM 0 H PHE A 57 -1.820 -15.446 4.339 1.00 43.41 H new ATOM 0 HA PHE A 57 -0.943 -12.736 4.842 1.00 52.12 H new ATOM 0 HB2 PHE A 57 -1.312 -11.860 2.657 1.00 13.32 H new ATOM 0 HB3 PHE A 57 -0.113 -13.132 2.536 1.00 13.32 H new ATOM 0 HD1 PHE A 57 -0.839 -15.408 1.623 1.00 14.52 H new ATOM 0 HD2 PHE A 57 -3.301 -11.938 1.384 1.00 73.41 H new ATOM 0 HE1 PHE A 57 -2.137 -16.452 -0.181 1.00 12.03 H new ATOM 0 HE2 PHE A 57 -4.585 -12.975 -0.431 1.00 15.33 H new ATOM 0 HZ PHE A 57 -4.011 -15.236 -1.214 1.00 41.02 H new ATOM 902 N GLY A 58 -3.389 -12.000 4.789 1.00 0.34 N ATOM 903 CA GLY A 58 -4.774 -11.720 5.117 1.00 72.31 C ATOM 904 C GLY A 58 -5.089 -10.247 4.976 1.00 33.31 C ATOM 905 O GLY A 58 -4.297 -9.501 4.407 1.00 34.42 O ATOM 0 H GLY A 58 -2.773 -11.188 4.831 1.00 0.34 H new ATOM 0 HA2 GLY A 58 -5.428 -12.297 4.463 1.00 72.31 H new ATOM 0 HA3 GLY A 58 -4.980 -12.041 6.138 1.00 72.31 H new ATOM 909 N PHE A 59 -6.246 -9.823 5.476 1.00 15.04 N ATOM 910 CA PHE A 59 -6.643 -8.419 5.401 1.00 41.11 C ATOM 911 C PHE A 59 -7.375 -7.999 6.671 1.00 65.51 C ATOM 912 O PHE A 59 -8.112 -8.789 7.265 1.00 14.53 O ATOM 913 CB PHE A 59 -7.571 -8.137 4.205 1.00 31.31 C ATOM 914 CG PHE A 59 -7.371 -9.022 3.009 1.00 65.52 C ATOM 915 CD1 PHE A 59 -8.048 -10.221 2.918 1.00 4.04 C ATOM 916 CD2 PHE A 59 -6.518 -8.655 1.980 1.00 25.13 C ATOM 917 CE1 PHE A 59 -7.883 -11.046 1.832 1.00 1.50 C ATOM 918 CE2 PHE A 59 -6.345 -9.479 0.883 1.00 14.23 C ATOM 919 CZ PHE A 59 -7.029 -10.679 0.810 1.00 70.43 C ATOM 0 H PHE A 59 -6.924 -10.429 5.937 1.00 15.04 H new ATOM 0 HA PHE A 59 -5.722 -7.849 5.279 1.00 41.11 H new ATOM 0 HB2 PHE A 59 -8.604 -8.234 4.538 1.00 31.31 H new ATOM 0 HB3 PHE A 59 -7.432 -7.101 3.896 1.00 31.31 H new ATOM 0 HD1 PHE A 59 -8.718 -10.515 3.713 1.00 4.04 H new ATOM 0 HD2 PHE A 59 -5.984 -7.718 2.035 1.00 25.13 H new ATOM 0 HE1 PHE A 59 -8.421 -11.981 1.777 1.00 1.50 H new ATOM 0 HE2 PHE A 59 -5.678 -9.186 0.086 1.00 14.23 H new ATOM 0 HZ PHE A 59 -6.896 -11.327 -0.044 1.00 70.43 H new ATOM 929 N VAL A 60 -7.185 -6.743 7.059 1.00 43.32 N ATOM 930 CA VAL A 60 -7.901 -6.162 8.190 1.00 44.53 C ATOM 931 C VAL A 60 -8.480 -4.803 7.797 1.00 65.41 C ATOM 932 O VAL A 60 -7.758 -3.904 7.379 1.00 2.03 O ATOM 933 CB VAL A 60 -7.013 -6.000 9.456 1.00 74.04 C ATOM 934 CG1 VAL A 60 -6.704 -7.344 10.087 1.00 35.44 C ATOM 935 CG2 VAL A 60 -5.718 -5.275 9.136 1.00 75.11 C ATOM 0 H VAL A 60 -6.535 -6.102 6.603 1.00 43.32 H new ATOM 0 HA VAL A 60 -8.700 -6.858 8.445 1.00 44.53 H new ATOM 0 HB VAL A 60 -7.581 -5.401 10.168 1.00 74.04 H new ATOM 0 HG11 VAL A 60 -6.082 -7.197 10.970 1.00 35.44 H new ATOM 0 HG12 VAL A 60 -7.634 -7.833 10.376 1.00 35.44 H new ATOM 0 HG13 VAL A 60 -6.174 -7.970 9.369 1.00 35.44 H new ATOM 0 HG21 VAL A 60 -5.121 -5.179 10.043 1.00 75.11 H new ATOM 0 HG22 VAL A 60 -5.158 -5.841 8.392 1.00 75.11 H new ATOM 0 HG23 VAL A 60 -5.944 -4.284 8.743 1.00 75.11 H new ATOM 945 N THR A 61 -9.786 -4.665 7.901 1.00 11.34 N ATOM 946 CA THR A 61 -10.441 -3.410 7.585 1.00 54.33 C ATOM 947 C THR A 61 -10.687 -2.628 8.861 1.00 12.44 C ATOM 948 O THR A 61 -11.315 -3.131 9.783 1.00 35.35 O ATOM 949 CB THR A 61 -11.776 -3.635 6.849 1.00 42.53 C ATOM 950 OG1 THR A 61 -11.595 -4.599 5.806 1.00 3.33 O ATOM 951 CG2 THR A 61 -12.296 -2.344 6.243 1.00 63.35 C ATOM 0 H THR A 61 -10.417 -5.408 8.203 1.00 11.34 H new ATOM 0 HA THR A 61 -9.784 -2.846 6.923 1.00 54.33 H new ATOM 0 HB THR A 61 -12.503 -3.996 7.576 1.00 42.53 H new ATOM 0 HG1 THR A 61 -12.465 -4.967 5.546 1.00 3.33 H new ATOM 0 HG21 THR A 61 -13.239 -2.536 5.731 1.00 63.35 H new ATOM 0 HG22 THR A 61 -12.455 -1.610 7.033 1.00 63.35 H new ATOM 0 HG23 THR A 61 -11.568 -1.958 5.530 1.00 63.35 H new ATOM 959 N TYR A 62 -10.170 -1.412 8.920 1.00 44.45 N ATOM 960 CA TYR A 62 -10.355 -0.557 10.083 1.00 4.14 C ATOM 961 C TYR A 62 -11.657 0.221 9.983 1.00 11.31 C ATOM 962 O TYR A 62 -12.371 0.138 8.983 1.00 32.23 O ATOM 963 CB TYR A 62 -9.187 0.417 10.223 1.00 1.13 C ATOM 964 CG TYR A 62 -8.023 -0.123 11.023 1.00 24.21 C ATOM 965 CD1 TYR A 62 -7.967 0.058 12.396 1.00 0.51 C ATOM 966 CD2 TYR A 62 -6.978 -0.805 10.408 1.00 63.31 C ATOM 967 CE1 TYR A 62 -6.906 -0.422 13.134 1.00 21.20 C ATOM 968 CE2 TYR A 62 -5.915 -1.288 11.143 1.00 2.41 C ATOM 969 CZ TYR A 62 -5.884 -1.092 12.504 1.00 41.24 C ATOM 970 OH TYR A 62 -4.827 -1.565 13.238 1.00 74.04 O ATOM 0 H TYR A 62 -9.616 -0.992 8.173 1.00 44.45 H new ATOM 0 HA TYR A 62 -10.395 -1.197 10.964 1.00 4.14 H new ATOM 0 HB2 TYR A 62 -8.834 0.690 9.228 1.00 1.13 H new ATOM 0 HB3 TYR A 62 -9.545 1.331 10.696 1.00 1.13 H new ATOM 0 HD1 TYR A 62 -8.767 0.583 12.896 1.00 0.51 H new ATOM 0 HD2 TYR A 62 -6.999 -0.959 9.339 1.00 63.31 H new ATOM 0 HE1 TYR A 62 -6.878 -0.272 14.203 1.00 21.20 H new ATOM 0 HE2 TYR A 62 -5.112 -1.817 10.652 1.00 2.41 H new ATOM 0 HH TYR A 62 -5.159 -1.966 14.068 1.00 74.04 H new ATOM 980 N ALA A 63 -11.975 0.958 11.035 1.00 72.24 N ATOM 981 CA ALA A 63 -13.132 1.827 11.029 1.00 42.31 C ATOM 982 C ALA A 63 -12.802 3.128 10.313 1.00 71.30 C ATOM 983 O ALA A 63 -13.559 3.587 9.463 1.00 53.55 O ATOM 984 CB ALA A 63 -13.602 2.100 12.447 1.00 42.45 C ATOM 0 H ALA A 63 -11.443 0.969 11.905 1.00 72.24 H new ATOM 0 HA ALA A 63 -13.941 1.330 10.494 1.00 42.31 H new ATOM 0 HB1 ALA A 63 -14.473 2.755 12.422 1.00 42.45 H new ATOM 0 HB2 ALA A 63 -13.869 1.160 12.929 1.00 42.45 H new ATOM 0 HB3 ALA A 63 -12.802 2.581 13.009 1.00 42.45 H new ATOM 990 N THR A 64 -11.648 3.695 10.635 1.00 22.12 N ATOM 991 CA THR A 64 -11.217 4.952 10.042 1.00 60.10 C ATOM 992 C THR A 64 -9.896 4.759 9.302 1.00 61.14 C ATOM 993 O THR A 64 -9.078 3.921 9.697 1.00 41.44 O ATOM 994 CB THR A 64 -11.020 6.030 11.124 1.00 5.45 C ATOM 995 OG1 THR A 64 -12.044 5.921 12.118 1.00 34.32 O ATOM 996 CG2 THR A 64 -11.046 7.423 10.527 1.00 12.23 C ATOM 0 H THR A 64 -10.990 3.301 11.308 1.00 22.12 H new ATOM 0 HA THR A 64 -11.992 5.275 9.347 1.00 60.10 H new ATOM 0 HB THR A 64 -10.043 5.868 11.580 1.00 5.45 H new ATOM 0 HG1 THR A 64 -11.635 5.744 12.991 1.00 34.32 H new ATOM 0 HG21 THR A 64 -10.904 8.160 11.317 1.00 12.23 H new ATOM 0 HG22 THR A 64 -10.246 7.519 9.793 1.00 12.23 H new ATOM 0 HG23 THR A 64 -12.007 7.593 10.041 1.00 12.23 H new ATOM 1004 N VAL A 65 -9.685 5.539 8.246 1.00 55.11 N ATOM 1005 CA VAL A 65 -8.441 5.485 7.488 1.00 0.22 C ATOM 1006 C VAL A 65 -7.249 5.951 8.339 1.00 12.32 C ATOM 1007 O VAL A 65 -6.128 5.477 8.158 1.00 1.13 O ATOM 1008 CB VAL A 65 -8.543 6.321 6.182 1.00 43.35 C ATOM 1009 CG1 VAL A 65 -8.743 7.802 6.473 1.00 54.40 C ATOM 1010 CG2 VAL A 65 -7.324 6.114 5.300 1.00 4.01 C ATOM 0 H VAL A 65 -10.362 6.217 7.896 1.00 55.11 H new ATOM 0 HA VAL A 65 -8.271 4.444 7.212 1.00 0.22 H new ATOM 0 HB VAL A 65 -9.422 5.965 5.644 1.00 43.35 H new ATOM 0 HG11 VAL A 65 -8.809 8.352 5.534 1.00 54.40 H new ATOM 0 HG12 VAL A 65 -9.663 7.940 7.040 1.00 54.40 H new ATOM 0 HG13 VAL A 65 -7.899 8.176 7.053 1.00 54.40 H new ATOM 0 HG21 VAL A 65 -7.425 6.712 4.394 1.00 4.01 H new ATOM 0 HG22 VAL A 65 -6.428 6.421 5.840 1.00 4.01 H new ATOM 0 HG23 VAL A 65 -7.243 5.060 5.032 1.00 4.01 H new ATOM 1020 N GLU A 66 -7.490 6.868 9.275 1.00 64.34 N ATOM 1021 CA GLU A 66 -6.435 7.358 10.159 1.00 72.45 C ATOM 1022 C GLU A 66 -5.930 6.274 11.111 1.00 24.04 C ATOM 1023 O GLU A 66 -4.730 6.184 11.359 1.00 54.42 O ATOM 1024 CB GLU A 66 -6.943 8.560 10.953 1.00 50.05 C ATOM 1025 CG GLU A 66 -7.605 9.617 10.083 1.00 22.51 C ATOM 1026 CD GLU A 66 -7.964 10.867 10.851 1.00 22.52 C ATOM 1027 OE1 GLU A 66 -8.803 10.787 11.769 1.00 42.51 O ATOM 1028 OE2 GLU A 66 -7.407 11.940 10.542 1.00 52.24 O ATOM 0 H GLU A 66 -8.406 7.286 9.440 1.00 64.34 H new ATOM 0 HA GLU A 66 -5.593 7.657 9.534 1.00 72.45 H new ATOM 0 HB2 GLU A 66 -7.656 8.217 11.702 1.00 50.05 H new ATOM 0 HB3 GLU A 66 -6.109 9.011 11.490 1.00 50.05 H new ATOM 0 HG2 GLU A 66 -6.935 9.879 9.264 1.00 22.51 H new ATOM 0 HG3 GLU A 66 -8.507 9.200 9.635 1.00 22.51 H new ATOM 1035 N GLU A 67 -6.841 5.450 11.638 1.00 71.22 N ATOM 1036 CA GLU A 67 -6.456 4.325 12.494 1.00 53.01 C ATOM 1037 C GLU A 67 -5.623 3.314 11.716 1.00 23.54 C ATOM 1038 O GLU A 67 -4.819 2.583 12.291 1.00 10.14 O ATOM 1039 CB GLU A 67 -7.685 3.636 13.090 1.00 12.32 C ATOM 1040 CG GLU A 67 -8.218 4.307 14.347 1.00 74.21 C ATOM 1041 CD GLU A 67 -9.059 5.533 14.063 1.00 72.21 C ATOM 1042 OE1 GLU A 67 -8.493 6.611 13.789 1.00 72.31 O ATOM 1043 OE2 GLU A 67 -10.298 5.421 14.125 1.00 23.33 O ATOM 0 H GLU A 67 -7.846 5.541 11.487 1.00 71.22 H new ATOM 0 HA GLU A 67 -5.855 4.726 13.310 1.00 53.01 H new ATOM 0 HB2 GLU A 67 -8.475 3.612 12.340 1.00 12.32 H new ATOM 0 HB3 GLU A 67 -7.433 2.601 13.321 1.00 12.32 H new ATOM 0 HG2 GLU A 67 -8.815 3.588 14.909 1.00 74.21 H new ATOM 0 HG3 GLU A 67 -7.379 4.590 14.982 1.00 74.21 H new ATOM 1050 N VAL A 68 -5.831 3.282 10.408 1.00 51.22 N ATOM 1051 CA VAL A 68 -4.995 2.495 9.513 1.00 22.11 C ATOM 1052 C VAL A 68 -3.566 3.010 9.526 1.00 0.23 C ATOM 1053 O VAL A 68 -2.628 2.244 9.716 1.00 45.24 O ATOM 1054 CB VAL A 68 -5.533 2.533 8.071 1.00 74.41 C ATOM 1055 CG1 VAL A 68 -4.516 2.005 7.083 1.00 23.12 C ATOM 1056 CG2 VAL A 68 -6.797 1.729 7.972 1.00 32.11 C ATOM 0 H VAL A 68 -6.577 3.796 9.940 1.00 51.22 H new ATOM 0 HA VAL A 68 -5.014 1.465 9.870 1.00 22.11 H new ATOM 0 HB VAL A 68 -5.739 3.574 7.822 1.00 74.41 H new ATOM 0 HG11 VAL A 68 -4.931 2.047 6.076 1.00 23.12 H new ATOM 0 HG12 VAL A 68 -3.613 2.614 7.129 1.00 23.12 H new ATOM 0 HG13 VAL A 68 -4.270 0.973 7.331 1.00 23.12 H new ATOM 0 HG21 VAL A 68 -7.170 1.762 6.948 1.00 32.11 H new ATOM 0 HG22 VAL A 68 -6.593 0.695 8.251 1.00 32.11 H new ATOM 0 HG23 VAL A 68 -7.547 2.145 8.645 1.00 32.11 H new ATOM 1066 N ASP A 69 -3.413 4.312 9.334 1.00 54.03 N ATOM 1067 CA ASP A 69 -2.095 4.936 9.315 1.00 41.52 C ATOM 1068 C ASP A 69 -1.381 4.780 10.653 1.00 60.15 C ATOM 1069 O ASP A 69 -0.168 4.589 10.693 1.00 32.23 O ATOM 1070 CB ASP A 69 -2.204 6.409 8.944 1.00 32.13 C ATOM 1071 CG ASP A 69 -1.838 6.662 7.493 1.00 40.41 C ATOM 1072 OD1 ASP A 69 -2.578 6.206 6.594 1.00 55.43 O ATOM 1073 OD2 ASP A 69 -0.808 7.322 7.241 1.00 13.40 O ATOM 0 H ASP A 69 -4.187 4.960 9.189 1.00 54.03 H new ATOM 0 HA ASP A 69 -1.501 4.424 8.557 1.00 41.52 H new ATOM 0 HB2 ASP A 69 -3.222 6.754 9.126 1.00 32.13 H new ATOM 0 HB3 ASP A 69 -1.549 6.994 9.590 1.00 32.13 H new ATOM 1078 N ALA A 70 -2.137 4.879 11.740 1.00 72.12 N ATOM 1079 CA ALA A 70 -1.640 4.545 13.072 1.00 62.23 C ATOM 1080 C ALA A 70 -1.022 3.145 13.120 1.00 43.52 C ATOM 1081 O ALA A 70 0.023 2.945 13.739 1.00 14.11 O ATOM 1082 CB ALA A 70 -2.772 4.653 14.078 1.00 22.12 C ATOM 0 H ALA A 70 -3.108 5.192 11.725 1.00 72.12 H new ATOM 0 HA ALA A 70 -0.852 5.255 13.324 1.00 62.23 H new ATOM 0 HB1 ALA A 70 -2.400 4.404 15.072 1.00 22.12 H new ATOM 0 HB2 ALA A 70 -3.160 5.671 14.081 1.00 22.12 H new ATOM 0 HB3 ALA A 70 -3.569 3.962 13.805 1.00 22.12 H new ATOM 1088 N ALA A 71 -1.651 2.196 12.434 1.00 35.01 N ATOM 1089 CA ALA A 71 -1.142 0.831 12.369 1.00 44.44 C ATOM 1090 C ALA A 71 0.042 0.748 11.406 1.00 60.05 C ATOM 1091 O ALA A 71 0.978 -0.017 11.624 1.00 74.33 O ATOM 1092 CB ALA A 71 -2.237 -0.137 11.945 1.00 43.41 C ATOM 0 H ALA A 71 -2.516 2.348 11.914 1.00 35.01 H new ATOM 0 HA ALA A 71 -0.803 0.548 13.365 1.00 44.44 H new ATOM 0 HB1 ALA A 71 -1.833 -1.148 11.904 1.00 43.41 H new ATOM 0 HB2 ALA A 71 -3.053 -0.102 12.666 1.00 43.41 H new ATOM 0 HB3 ALA A 71 -2.610 0.145 10.960 1.00 43.41 H new ATOM 1098 N MET A 72 0.002 1.553 10.347 1.00 2.03 N ATOM 1099 CA MET A 72 1.085 1.597 9.365 1.00 75.05 C ATOM 1100 C MET A 72 2.374 2.100 10.008 1.00 22.55 C ATOM 1101 O MET A 72 3.450 1.553 9.766 1.00 3.34 O ATOM 1102 CB MET A 72 0.708 2.495 8.177 1.00 23.41 C ATOM 1103 CG MET A 72 -0.571 2.075 7.457 1.00 61.35 C ATOM 1104 SD MET A 72 -0.296 1.029 6.009 1.00 1.43 S ATOM 1105 CE MET A 72 0.680 -0.289 6.703 1.00 14.50 C ATOM 0 H MET A 72 -0.772 2.187 10.146 1.00 2.03 H new ATOM 0 HA MET A 72 1.247 0.583 8.999 1.00 75.05 H new ATOM 0 HB2 MET A 72 0.592 3.519 8.532 1.00 23.41 H new ATOM 0 HB3 MET A 72 1.531 2.497 7.462 1.00 23.41 H new ATOM 0 HG2 MET A 72 -1.212 1.543 8.160 1.00 61.35 H new ATOM 0 HG3 MET A 72 -1.111 2.970 7.148 1.00 61.35 H new ATOM 0 HE1 MET A 72 0.804 -1.079 5.962 1.00 14.50 H new ATOM 0 HE2 MET A 72 1.658 0.096 6.991 1.00 14.50 H new ATOM 0 HE3 MET A 72 0.175 -0.692 7.581 1.00 14.50 H new ATOM 1115 N ASN A 73 2.245 3.121 10.848 1.00 20.13 N ATOM 1116 CA ASN A 73 3.384 3.697 11.560 1.00 12.51 C ATOM 1117 C ASN A 73 3.862 2.760 12.677 1.00 54.44 C ATOM 1118 O ASN A 73 5.051 2.720 13.001 1.00 51.31 O ATOM 1119 CB ASN A 73 2.999 5.086 12.115 1.00 62.43 C ATOM 1120 CG ASN A 73 3.190 5.227 13.618 1.00 22.41 C ATOM 1121 OD1 ASN A 73 4.271 5.584 14.089 1.00 42.21 O ATOM 1122 ND2 ASN A 73 2.143 4.947 14.379 1.00 70.35 N ATOM 0 H ASN A 73 1.354 3.572 11.055 1.00 20.13 H new ATOM 0 HA ASN A 73 4.215 3.819 10.865 1.00 12.51 H new ATOM 0 HB2 ASN A 73 3.596 5.846 11.610 1.00 62.43 H new ATOM 0 HB3 ASN A 73 1.956 5.287 11.871 1.00 62.43 H new ATOM 0 HD21 ASN A 73 2.215 5.024 15.394 1.00 70.35 H new ATOM 0 HD22 ASN A 73 1.265 4.655 13.951 1.00 70.35 H new ATOM 1129 N ALA A 74 2.929 1.995 13.238 1.00 54.03 N ATOM 1130 CA ALA A 74 3.218 1.079 14.343 1.00 44.34 C ATOM 1131 C ALA A 74 4.110 -0.088 13.926 1.00 34.33 C ATOM 1132 O ALA A 74 4.616 -0.817 14.779 1.00 55.00 O ATOM 1133 CB ALA A 74 1.922 0.552 14.925 1.00 33.14 C ATOM 0 H ALA A 74 1.953 1.991 12.942 1.00 54.03 H new ATOM 0 HA ALA A 74 3.765 1.647 15.095 1.00 44.34 H new ATOM 0 HB1 ALA A 74 2.143 -0.129 15.747 1.00 33.14 H new ATOM 0 HB2 ALA A 74 1.324 1.385 15.295 1.00 33.14 H new ATOM 0 HB3 ALA A 74 1.366 0.021 14.153 1.00 33.14 H new ATOM 1139 N ARG A 75 4.274 -0.275 12.619 1.00 44.32 N ATOM 1140 CA ARG A 75 5.149 -1.318 12.082 1.00 75.42 C ATOM 1141 C ARG A 75 6.575 -1.216 12.630 1.00 73.31 C ATOM 1142 O ARG A 75 7.063 -0.118 12.920 1.00 63.14 O ATOM 1143 CB ARG A 75 5.165 -1.248 10.560 1.00 54.13 C ATOM 1144 CG ARG A 75 3.986 -1.947 9.914 1.00 2.21 C ATOM 1145 CD ARG A 75 3.909 -1.667 8.428 1.00 54.50 C ATOM 1146 NE ARG A 75 5.214 -1.740 7.785 1.00 54.43 N ATOM 1147 CZ ARG A 75 5.642 -0.856 6.896 1.00 73.44 C ATOM 1148 NH1 ARG A 75 4.863 0.162 6.549 1.00 71.33 N ATOM 1149 NH2 ARG A 75 6.840 -0.996 6.350 1.00 1.45 N ATOM 0 H ARG A 75 3.809 0.286 11.906 1.00 44.32 H new ATOM 0 HA ARG A 75 4.748 -2.280 12.401 1.00 75.42 H new ATOM 0 HB2 ARG A 75 5.172 -0.203 10.252 1.00 54.13 H new ATOM 0 HB3 ARG A 75 6.089 -1.695 10.193 1.00 54.13 H new ATOM 0 HG2 ARG A 75 4.067 -3.022 10.077 1.00 2.21 H new ATOM 0 HG3 ARG A 75 3.063 -1.620 10.393 1.00 2.21 H new ATOM 0 HD2 ARG A 75 3.235 -2.384 7.960 1.00 54.50 H new ATOM 0 HD3 ARG A 75 3.482 -0.677 8.268 1.00 54.50 H new ATOM 0 HE ARG A 75 5.831 -2.513 8.033 1.00 54.43 H new ATOM 0 HH11 ARG A 75 3.938 0.262 6.967 1.00 71.33 H new ATOM 0 HH12 ARG A 75 5.190 0.844 5.865 1.00 71.33 H new ATOM 0 HH21 ARG A 75 7.432 -1.784 6.614 1.00 1.45 H new ATOM 0 HH22 ARG A 75 7.171 -0.316 5.665 1.00 1.45 H new ATOM 1163 N PRO A 76 7.276 -2.363 12.766 1.00 61.53 N ATOM 1164 CA PRO A 76 6.772 -3.681 12.342 1.00 44.13 C ATOM 1165 C PRO A 76 5.773 -4.313 13.319 1.00 24.31 C ATOM 1166 O PRO A 76 5.747 -3.989 14.507 1.00 32.01 O ATOM 1167 CB PRO A 76 8.045 -4.521 12.264 1.00 54.50 C ATOM 1168 CG PRO A 76 8.966 -3.925 13.270 1.00 45.34 C ATOM 1169 CD PRO A 76 8.633 -2.456 13.341 1.00 21.12 C ATOM 0 HA PRO A 76 6.212 -3.609 11.409 1.00 44.13 H new ATOM 0 HB2 PRO A 76 7.841 -5.568 12.488 1.00 54.50 H new ATOM 0 HB3 PRO A 76 8.478 -4.488 11.264 1.00 54.50 H new ATOM 0 HG2 PRO A 76 8.837 -4.399 14.243 1.00 45.34 H new ATOM 0 HG3 PRO A 76 10.006 -4.073 12.979 1.00 45.34 H new ATOM 0 HD2 PRO A 76 8.656 -2.092 14.368 1.00 21.12 H new ATOM 0 HD3 PRO A 76 9.347 -1.858 12.775 1.00 21.12 H new ATOM 1177 N HIS A 77 4.957 -5.224 12.796 1.00 51.35 N ATOM 1178 CA HIS A 77 3.937 -5.911 13.592 1.00 75.22 C ATOM 1179 C HIS A 77 4.266 -7.389 13.735 1.00 22.53 C ATOM 1180 O HIS A 77 4.988 -7.952 12.913 1.00 23.14 O ATOM 1181 CB HIS A 77 2.553 -5.775 12.950 1.00 31.44 C ATOM 1182 CG HIS A 77 1.933 -4.427 13.106 1.00 73.20 C ATOM 1183 ND1 HIS A 77 0.890 -4.210 13.964 1.00 63.11 N ATOM 1184 CD2 HIS A 77 2.230 -3.276 12.480 1.00 33.23 C ATOM 1185 CE1 HIS A 77 0.580 -2.935 13.840 1.00 34.40 C ATOM 1186 NE2 HIS A 77 1.368 -2.329 12.949 1.00 51.11 N ATOM 0 H HIS A 77 4.981 -5.507 11.816 1.00 51.35 H new ATOM 0 HA HIS A 77 3.927 -5.442 14.576 1.00 75.22 H new ATOM 0 HB2 HIS A 77 2.634 -6.004 11.887 1.00 31.44 H new ATOM 0 HB3 HIS A 77 1.888 -6.520 13.386 1.00 31.44 H new ATOM 0 HD1 HIS A 77 0.444 -4.894 14.575 1.00 63.11 H new ATOM 0 HD2 HIS A 77 3.006 -3.128 11.743 1.00 33.23 H new ATOM 0 HE1 HIS A 77 -0.210 -2.444 14.389 1.00 34.40 H new ATOM 0 HE2 HIS A 77 1.332 -1.348 12.673 1.00 51.11 H new ATOM 1194 N LYS A 78 3.737 -8.011 14.779 1.00 44.33 N ATOM 1195 CA LYS A 78 3.920 -9.436 14.986 1.00 54.15 C ATOM 1196 C LYS A 78 2.635 -10.101 15.481 1.00 52.10 C ATOM 1197 O LYS A 78 2.205 -9.881 16.612 1.00 1.44 O ATOM 1198 CB LYS A 78 5.073 -9.683 15.965 1.00 52.23 C ATOM 1199 CG LYS A 78 5.174 -11.123 16.433 1.00 44.31 C ATOM 1200 CD LYS A 78 6.574 -11.468 16.900 1.00 2.20 C ATOM 1201 CE LYS A 78 7.507 -11.740 15.731 1.00 62.42 C ATOM 1202 NZ LYS A 78 8.830 -12.243 16.186 1.00 60.32 N ATOM 0 H LYS A 78 3.177 -7.548 15.495 1.00 44.33 H new ATOM 0 HA LYS A 78 4.171 -9.888 14.026 1.00 54.15 H new ATOM 0 HB2 LYS A 78 6.011 -9.398 15.488 1.00 52.23 H new ATOM 0 HB3 LYS A 78 4.947 -9.036 16.833 1.00 52.23 H new ATOM 0 HG2 LYS A 78 4.468 -11.291 17.246 1.00 44.31 H new ATOM 0 HG3 LYS A 78 4.888 -11.790 15.620 1.00 44.31 H new ATOM 0 HD2 LYS A 78 6.970 -10.648 17.498 1.00 2.20 H new ATOM 0 HD3 LYS A 78 6.536 -12.345 17.547 1.00 2.20 H new ATOM 0 HE2 LYS A 78 7.050 -12.471 15.064 1.00 62.42 H new ATOM 0 HE3 LYS A 78 7.645 -10.825 15.155 1.00 62.42 H new ATOM 0 HZ1 LYS A 78 9.438 -12.417 15.360 1.00 60.32 H new ATOM 0 HZ2 LYS A 78 9.277 -11.535 16.803 1.00 60.32 H new ATOM 0 HZ3 LYS A 78 8.701 -13.130 16.714 1.00 60.32 H new ATOM 1216 N VAL A 79 2.032 -10.914 14.622 1.00 13.42 N ATOM 1217 CA VAL A 79 0.826 -11.658 14.975 1.00 34.50 C ATOM 1218 C VAL A 79 1.144 -13.146 15.062 1.00 14.53 C ATOM 1219 O VAL A 79 1.784 -13.691 14.161 1.00 71.34 O ATOM 1220 CB VAL A 79 -0.303 -11.458 13.936 1.00 22.22 C ATOM 1221 CG1 VAL A 79 -1.607 -12.065 14.426 1.00 1.43 C ATOM 1222 CG2 VAL A 79 -0.490 -9.985 13.608 1.00 51.34 C ATOM 0 H VAL A 79 2.360 -11.076 13.670 1.00 13.42 H new ATOM 0 HA VAL A 79 0.483 -11.278 15.938 1.00 34.50 H new ATOM 0 HB VAL A 79 -0.008 -11.974 13.023 1.00 22.22 H new ATOM 0 HG11 VAL A 79 -2.384 -11.911 13.677 1.00 1.43 H new ATOM 0 HG12 VAL A 79 -1.471 -13.134 14.593 1.00 1.43 H new ATOM 0 HG13 VAL A 79 -1.903 -11.587 15.360 1.00 1.43 H new ATOM 0 HG21 VAL A 79 -1.290 -9.874 12.876 1.00 51.34 H new ATOM 0 HG22 VAL A 79 -0.751 -9.440 14.515 1.00 51.34 H new ATOM 0 HG23 VAL A 79 0.436 -9.583 13.198 1.00 51.34 H new ATOM 1232 N ASP A 80 0.724 -13.781 16.163 1.00 14.33 N ATOM 1233 CA ASP A 80 0.909 -15.227 16.380 1.00 13.01 C ATOM 1234 C ASP A 80 2.400 -15.567 16.498 1.00 32.04 C ATOM 1235 O ASP A 80 2.835 -16.687 16.227 1.00 51.50 O ATOM 1236 CB ASP A 80 0.238 -16.039 15.253 1.00 74.40 C ATOM 1237 CG ASP A 80 0.150 -17.527 15.558 1.00 73.24 C ATOM 1238 OD1 ASP A 80 -0.514 -17.898 16.548 1.00 1.33 O ATOM 1239 OD2 ASP A 80 0.748 -18.330 14.809 1.00 12.31 O ATOM 0 H ASP A 80 0.246 -13.309 16.931 1.00 14.33 H new ATOM 0 HA ASP A 80 0.427 -15.500 17.319 1.00 13.01 H new ATOM 0 HB2 ASP A 80 -0.766 -15.650 15.081 1.00 74.40 H new ATOM 0 HB3 ASP A 80 0.798 -15.897 14.328 1.00 74.40 H new ATOM 1244 N GLY A 81 3.182 -14.589 16.933 1.00 45.24 N ATOM 1245 CA GLY A 81 4.612 -14.778 17.056 1.00 3.54 C ATOM 1246 C GLY A 81 5.318 -14.745 15.715 1.00 60.42 C ATOM 1247 O GLY A 81 6.411 -15.285 15.572 1.00 10.14 O ATOM 0 H GLY A 81 2.849 -13.664 17.204 1.00 45.24 H new ATOM 0 HA2 GLY A 81 5.024 -14.001 17.699 1.00 3.54 H new ATOM 0 HA3 GLY A 81 4.809 -15.733 17.543 1.00 3.54 H new ATOM 1251 N ARG A 82 4.701 -14.089 14.742 1.00 1.33 N ATOM 1252 CA ARG A 82 5.249 -14.007 13.397 1.00 71.42 C ATOM 1253 C ARG A 82 5.326 -12.549 12.960 1.00 21.10 C ATOM 1254 O ARG A 82 4.411 -11.779 13.232 1.00 70.35 O ATOM 1255 CB ARG A 82 4.366 -14.788 12.422 1.00 65.05 C ATOM 1256 CG ARG A 82 4.935 -14.878 11.020 1.00 60.41 C ATOM 1257 CD ARG A 82 5.919 -16.027 10.891 1.00 53.15 C ATOM 1258 NE ARG A 82 6.429 -16.159 9.529 1.00 3.12 N ATOM 1259 CZ ARG A 82 7.485 -16.899 9.194 1.00 74.31 C ATOM 1260 NH1 ARG A 82 8.152 -17.577 10.122 1.00 71.52 N ATOM 1261 NH2 ARG A 82 7.871 -16.960 7.924 1.00 12.44 N ATOM 0 H ARG A 82 3.813 -13.602 14.862 1.00 1.33 H new ATOM 0 HA ARG A 82 6.250 -14.439 13.396 1.00 71.42 H new ATOM 0 HB2 ARG A 82 4.217 -15.796 12.809 1.00 65.05 H new ATOM 0 HB3 ARG A 82 3.385 -14.315 12.376 1.00 65.05 H new ATOM 0 HG2 ARG A 82 4.123 -15.011 10.305 1.00 60.41 H new ATOM 0 HG3 ARG A 82 5.432 -13.942 10.767 1.00 60.41 H new ATOM 0 HD2 ARG A 82 6.752 -15.870 11.577 1.00 53.15 H new ATOM 0 HD3 ARG A 82 5.433 -16.956 11.188 1.00 53.15 H new ATOM 0 HE ARG A 82 5.946 -15.652 8.787 1.00 3.12 H new ATOM 0 HH11 ARG A 82 7.856 -17.533 11.097 1.00 71.52 H new ATOM 0 HH12 ARG A 82 8.960 -18.142 9.859 1.00 71.52 H new ATOM 0 HH21 ARG A 82 7.359 -16.441 7.210 1.00 12.44 H new ATOM 0 HH22 ARG A 82 8.679 -17.525 7.663 1.00 12.44 H new ATOM 1275 N VAL A 83 6.406 -12.175 12.283 1.00 44.43 N ATOM 1276 CA VAL A 83 6.559 -10.803 11.812 1.00 4.11 C ATOM 1277 C VAL A 83 5.675 -10.584 10.592 1.00 24.12 C ATOM 1278 O VAL A 83 5.904 -11.178 9.538 1.00 53.40 O ATOM 1279 CB VAL A 83 8.018 -10.461 11.438 1.00 21.43 C ATOM 1280 CG1 VAL A 83 8.128 -9.005 11.000 1.00 54.40 C ATOM 1281 CG2 VAL A 83 8.958 -10.740 12.599 1.00 35.11 C ATOM 0 H VAL A 83 7.181 -12.795 12.050 1.00 44.43 H new ATOM 0 HA VAL A 83 6.264 -10.148 12.632 1.00 4.11 H new ATOM 0 HB VAL A 83 8.312 -11.099 10.605 1.00 21.43 H new ATOM 0 HG11 VAL A 83 9.162 -8.780 10.740 1.00 54.40 H new ATOM 0 HG12 VAL A 83 7.491 -8.837 10.132 1.00 54.40 H new ATOM 0 HG13 VAL A 83 7.809 -8.355 11.815 1.00 54.40 H new ATOM 0 HG21 VAL A 83 9.979 -10.491 12.309 1.00 35.11 H new ATOM 0 HG22 VAL A 83 8.666 -10.134 13.457 1.00 35.11 H new ATOM 0 HG23 VAL A 83 8.904 -11.796 12.865 1.00 35.11 H new ATOM 1291 N VAL A 84 4.657 -9.753 10.740 1.00 1.24 N ATOM 1292 CA VAL A 84 3.710 -9.524 9.664 1.00 74.21 C ATOM 1293 C VAL A 84 3.876 -8.128 9.079 1.00 61.44 C ATOM 1294 O VAL A 84 4.307 -7.193 9.761 1.00 21.12 O ATOM 1295 CB VAL A 84 2.249 -9.737 10.130 1.00 71.23 C ATOM 1296 CG1 VAL A 84 2.144 -10.995 10.970 1.00 25.44 C ATOM 1297 CG2 VAL A 84 1.718 -8.538 10.902 1.00 53.45 C ATOM 0 H VAL A 84 4.466 -9.227 11.593 1.00 1.24 H new ATOM 0 HA VAL A 84 3.925 -10.258 8.887 1.00 74.21 H new ATOM 0 HB VAL A 84 1.633 -9.849 9.238 1.00 71.23 H new ATOM 0 HG11 VAL A 84 1.112 -11.133 11.291 1.00 25.44 H new ATOM 0 HG12 VAL A 84 2.458 -11.855 10.378 1.00 25.44 H new ATOM 0 HG13 VAL A 84 2.787 -10.903 11.845 1.00 25.44 H new ATOM 0 HG21 VAL A 84 0.690 -8.730 11.210 1.00 53.45 H new ATOM 0 HG22 VAL A 84 2.336 -8.371 11.784 1.00 53.45 H new ATOM 0 HG23 VAL A 84 1.747 -7.654 10.266 1.00 53.45 H new ATOM 1307 N GLU A 85 3.563 -8.012 7.803 1.00 53.34 N ATOM 1308 CA GLU A 85 3.669 -6.751 7.095 1.00 10.14 C ATOM 1309 C GLU A 85 2.305 -6.246 6.649 1.00 21.52 C ATOM 1310 O GLU A 85 1.796 -6.669 5.614 1.00 33.35 O ATOM 1311 CB GLU A 85 4.569 -6.910 5.870 1.00 52.44 C ATOM 1312 CG GLU A 85 5.048 -5.588 5.296 1.00 31.32 C ATOM 1313 CD GLU A 85 6.258 -5.747 4.406 1.00 0.40 C ATOM 1314 OE1 GLU A 85 6.090 -5.997 3.198 1.00 3.53 O ATOM 1315 OE2 GLU A 85 7.386 -5.627 4.920 1.00 12.51 O ATOM 0 H GLU A 85 3.229 -8.787 7.229 1.00 53.34 H new ATOM 0 HA GLU A 85 4.101 -6.024 7.782 1.00 10.14 H new ATOM 0 HB2 GLU A 85 5.435 -7.515 6.141 1.00 52.44 H new ATOM 0 HB3 GLU A 85 4.027 -7.457 5.099 1.00 52.44 H new ATOM 0 HG2 GLU A 85 4.240 -5.129 4.726 1.00 31.32 H new ATOM 0 HG3 GLU A 85 5.289 -4.907 6.113 1.00 31.32 H new ATOM 1322 N PRO A 86 1.682 -5.354 7.424 1.00 44.35 N ATOM 1323 CA PRO A 86 0.487 -4.669 6.971 1.00 11.44 C ATOM 1324 C PRO A 86 0.827 -3.670 5.874 1.00 52.53 C ATOM 1325 O PRO A 86 1.806 -2.932 5.979 1.00 11.33 O ATOM 1326 CB PRO A 86 -0.045 -3.961 8.217 1.00 21.53 C ATOM 1327 CG PRO A 86 1.095 -3.892 9.174 1.00 4.01 C ATOM 1328 CD PRO A 86 2.081 -4.962 8.783 1.00 33.22 C ATOM 0 HA PRO A 86 -0.249 -5.350 6.543 1.00 11.44 H new ATOM 0 HB2 PRO A 86 -0.409 -2.963 7.972 1.00 21.53 H new ATOM 0 HB3 PRO A 86 -0.883 -4.509 8.648 1.00 21.53 H new ATOM 0 HG2 PRO A 86 1.564 -2.908 9.141 1.00 4.01 H new ATOM 0 HG3 PRO A 86 0.748 -4.046 10.196 1.00 4.01 H new ATOM 0 HD2 PRO A 86 3.104 -4.585 8.803 1.00 33.22 H new ATOM 0 HD3 PRO A 86 2.040 -5.809 9.468 1.00 33.22 H new ATOM 1336 N LYS A 87 0.065 -3.720 4.800 1.00 22.04 N ATOM 1337 CA LYS A 87 0.213 -2.787 3.690 1.00 3.12 C ATOM 1338 C LYS A 87 -1.139 -2.207 3.356 1.00 4.14 C ATOM 1339 O LYS A 87 -2.143 -2.664 3.884 1.00 43.14 O ATOM 1340 CB LYS A 87 0.802 -3.492 2.464 1.00 2.53 C ATOM 1341 CG LYS A 87 1.973 -4.396 2.798 1.00 4.32 C ATOM 1342 CD LYS A 87 2.723 -4.831 1.561 1.00 1.01 C ATOM 1343 CE LYS A 87 3.209 -6.261 1.713 1.00 73.23 C ATOM 1344 NZ LYS A 87 3.825 -6.784 0.471 1.00 44.22 N ATOM 0 H LYS A 87 -0.677 -4.408 4.668 1.00 22.04 H new ATOM 0 HA LYS A 87 0.897 -1.989 3.980 1.00 3.12 H new ATOM 0 HB2 LYS A 87 0.022 -4.082 1.983 1.00 2.53 H new ATOM 0 HB3 LYS A 87 1.125 -2.742 1.742 1.00 2.53 H new ATOM 0 HG2 LYS A 87 2.654 -3.874 3.470 1.00 4.32 H new ATOM 0 HG3 LYS A 87 1.612 -5.276 3.331 1.00 4.32 H new ATOM 0 HD2 LYS A 87 2.075 -4.751 0.688 1.00 1.01 H new ATOM 0 HD3 LYS A 87 3.571 -4.168 1.390 1.00 1.01 H new ATOM 0 HE2 LYS A 87 3.935 -6.311 2.524 1.00 73.23 H new ATOM 0 HE3 LYS A 87 2.371 -6.898 1.996 1.00 73.23 H new ATOM 0 HZ1 LYS A 87 3.846 -7.823 0.505 1.00 44.22 H new ATOM 0 HZ2 LYS A 87 3.266 -6.476 -0.350 1.00 44.22 H new ATOM 0 HZ3 LYS A 87 4.796 -6.420 0.385 1.00 44.22 H new ATOM 1358 N ARG A 88 -1.192 -1.221 2.489 1.00 23.12 N ATOM 1359 CA ARG A 88 -2.478 -0.622 2.174 1.00 51.04 C ATOM 1360 C ARG A 88 -3.179 -1.449 1.112 1.00 40.51 C ATOM 1361 O ARG A 88 -2.601 -1.754 0.072 1.00 33.10 O ATOM 1362 CB ARG A 88 -2.330 0.837 1.729 1.00 74.02 C ATOM 1363 CG ARG A 88 -3.659 1.564 1.526 1.00 32.20 C ATOM 1364 CD ARG A 88 -4.520 1.534 2.785 1.00 54.05 C ATOM 1365 NE ARG A 88 -4.678 2.854 3.408 1.00 35.34 N ATOM 1366 CZ ARG A 88 -3.747 3.461 4.156 1.00 75.14 C ATOM 1367 NH1 ARG A 88 -2.569 2.881 4.377 1.00 53.45 N ATOM 1368 NH2 ARG A 88 -4.010 4.637 4.713 1.00 5.34 N ATOM 0 H ARG A 88 -0.390 -0.824 2.000 1.00 23.12 H new ATOM 0 HA ARG A 88 -3.086 -0.616 3.079 1.00 51.04 H new ATOM 0 HB2 ARG A 88 -1.743 1.375 2.474 1.00 74.02 H new ATOM 0 HB3 ARG A 88 -1.766 0.866 0.797 1.00 74.02 H new ATOM 0 HG2 ARG A 88 -3.467 2.599 1.241 1.00 32.20 H new ATOM 0 HG3 ARG A 88 -4.204 1.102 0.702 1.00 32.20 H new ATOM 0 HD2 ARG A 88 -5.504 1.137 2.535 1.00 54.05 H new ATOM 0 HD3 ARG A 88 -4.074 0.850 3.507 1.00 54.05 H new ATOM 0 HE ARG A 88 -5.560 3.344 3.261 1.00 35.34 H new ATOM 0 HH11 ARG A 88 -2.368 1.965 3.975 1.00 53.45 H new ATOM 0 HH12 ARG A 88 -1.868 3.352 4.948 1.00 53.45 H new ATOM 0 HH21 ARG A 88 -4.919 5.077 4.571 1.00 5.34 H new ATOM 0 HH22 ARG A 88 -3.303 5.101 5.283 1.00 5.34 H new ATOM 1382 N ALA A 89 -4.411 -1.851 1.409 1.00 3.31 N ATOM 1383 CA ALA A 89 -5.186 -2.673 0.502 1.00 21.15 C ATOM 1384 C ALA A 89 -5.495 -1.949 -0.792 1.00 45.33 C ATOM 1385 O ALA A 89 -6.356 -1.072 -0.842 1.00 30.22 O ATOM 1386 CB ALA A 89 -6.473 -3.136 1.155 1.00 44.14 C ATOM 0 H ALA A 89 -4.891 -1.616 2.278 1.00 3.31 H new ATOM 0 HA ALA A 89 -4.576 -3.544 0.264 1.00 21.15 H new ATOM 0 HB1 ALA A 89 -7.036 -3.751 0.453 1.00 44.14 H new ATOM 0 HB2 ALA A 89 -6.240 -3.721 2.044 1.00 44.14 H new ATOM 0 HB3 ALA A 89 -7.070 -2.269 1.438 1.00 44.14 H new ATOM 1392 N VAL A 90 -4.764 -2.319 -1.825 1.00 14.33 N ATOM 1393 CA VAL A 90 -5.070 -1.896 -3.178 1.00 0.24 C ATOM 1394 C VAL A 90 -6.441 -2.448 -3.554 1.00 4.42 C ATOM 1395 O VAL A 90 -6.833 -3.509 -3.054 1.00 10.23 O ATOM 1396 CB VAL A 90 -4.007 -2.417 -4.180 1.00 44.10 C ATOM 1397 CG1 VAL A 90 -4.254 -1.889 -5.590 1.00 11.34 C ATOM 1398 CG2 VAL A 90 -2.610 -2.048 -3.710 1.00 32.01 C ATOM 0 H VAL A 90 -3.943 -2.920 -1.751 1.00 14.33 H new ATOM 0 HA VAL A 90 -5.067 -0.807 -3.222 1.00 0.24 H new ATOM 0 HB VAL A 90 -4.092 -3.503 -4.217 1.00 44.10 H new ATOM 0 HG11 VAL A 90 -3.489 -2.276 -6.263 1.00 11.34 H new ATOM 0 HG12 VAL A 90 -5.236 -2.213 -5.933 1.00 11.34 H new ATOM 0 HG13 VAL A 90 -4.214 -0.800 -5.583 1.00 11.34 H new ATOM 0 HG21 VAL A 90 -1.876 -2.421 -4.424 1.00 32.01 H new ATOM 0 HG22 VAL A 90 -2.526 -0.964 -3.635 1.00 32.01 H new ATOM 0 HG23 VAL A 90 -2.425 -2.494 -2.733 1.00 32.01 H new ATOM 1408 N SER A 91 -7.162 -1.737 -4.418 1.00 13.42 N ATOM 1409 CA SER A 91 -8.476 -2.170 -4.866 1.00 30.25 C ATOM 1410 C SER A 91 -8.388 -3.585 -5.414 1.00 65.14 C ATOM 1411 O SER A 91 -7.515 -3.881 -6.230 1.00 2.20 O ATOM 1412 CB SER A 91 -8.972 -1.222 -5.951 1.00 25.21 C ATOM 1413 OG SER A 91 -8.541 0.102 -5.691 1.00 62.14 O ATOM 0 H SER A 91 -6.852 -0.853 -4.822 1.00 13.42 H new ATOM 0 HA SER A 91 -9.173 -2.158 -4.028 1.00 30.25 H new ATOM 0 HB2 SER A 91 -8.601 -1.547 -6.923 1.00 25.21 H new ATOM 0 HB3 SER A 91 -10.060 -1.253 -5.999 1.00 25.21 H new ATOM 0 HG SER A 91 -9.041 0.465 -4.930 1.00 62.14 H new ATOM 1419 N ARG A 92 -9.278 -4.457 -4.939 1.00 73.54 N ATOM 1420 CA ARG A 92 -9.222 -5.887 -5.247 1.00 21.45 C ATOM 1421 C ARG A 92 -9.305 -6.151 -6.751 1.00 23.54 C ATOM 1422 O ARG A 92 -8.826 -7.178 -7.235 1.00 4.44 O ATOM 1423 CB ARG A 92 -10.334 -6.629 -4.498 1.00 51.41 C ATOM 1424 CG ARG A 92 -10.091 -8.126 -4.370 1.00 63.41 C ATOM 1425 CD ARG A 92 -8.820 -8.433 -3.587 1.00 71.33 C ATOM 1426 NE ARG A 92 -8.688 -9.863 -3.309 1.00 40.44 N ATOM 1427 CZ ARG A 92 -7.556 -10.558 -3.438 1.00 50.21 C ATOM 1428 NH1 ARG A 92 -6.438 -9.966 -3.840 1.00 73.11 N ATOM 1429 NH2 ARG A 92 -7.543 -11.855 -3.158 1.00 35.44 N ATOM 0 H ARG A 92 -10.055 -4.194 -4.333 1.00 73.54 H new ATOM 0 HA ARG A 92 -8.256 -6.265 -4.911 1.00 21.45 H new ATOM 0 HB2 ARG A 92 -10.438 -6.200 -3.501 1.00 51.41 H new ATOM 0 HB3 ARG A 92 -11.280 -6.466 -5.015 1.00 51.41 H new ATOM 0 HG2 ARG A 92 -10.943 -8.591 -3.874 1.00 63.41 H new ATOM 0 HG3 ARG A 92 -10.020 -8.568 -5.364 1.00 63.41 H new ATOM 0 HD2 ARG A 92 -7.953 -8.091 -4.152 1.00 71.33 H new ATOM 0 HD3 ARG A 92 -8.828 -7.879 -2.648 1.00 71.33 H new ATOM 0 HE ARG A 92 -9.519 -10.364 -2.995 1.00 40.44 H new ATOM 0 HH11 ARG A 92 -6.438 -8.969 -4.054 1.00 73.11 H new ATOM 0 HH12 ARG A 92 -5.579 -10.508 -3.935 1.00 73.11 H new ATOM 0 HH21 ARG A 92 -8.396 -12.318 -2.845 1.00 35.44 H new ATOM 0 HH22 ARG A 92 -6.680 -12.389 -3.256 1.00 35.44 H new ATOM 1443 N GLU A 93 -9.894 -5.210 -7.482 1.00 32.34 N ATOM 1444 CA GLU A 93 -9.916 -5.255 -8.940 1.00 4.22 C ATOM 1445 C GLU A 93 -8.492 -5.248 -9.499 1.00 43.22 C ATOM 1446 O GLU A 93 -8.094 -6.146 -10.239 1.00 73.10 O ATOM 1447 CB GLU A 93 -10.676 -4.048 -9.491 1.00 24.23 C ATOM 1448 CG GLU A 93 -12.108 -3.940 -8.996 1.00 53.31 C ATOM 1449 CD GLU A 93 -12.728 -2.599 -9.329 1.00 12.23 C ATOM 1450 OE1 GLU A 93 -13.092 -2.378 -10.501 1.00 12.02 O ATOM 1451 OE2 GLU A 93 -12.849 -1.758 -8.418 1.00 21.03 O ATOM 0 H GLU A 93 -10.367 -4.399 -7.083 1.00 32.34 H new ATOM 0 HA GLU A 93 -10.416 -6.174 -9.245 1.00 4.22 H new ATOM 0 HB2 GLU A 93 -10.139 -3.139 -9.220 1.00 24.23 H new ATOM 0 HB3 GLU A 93 -10.682 -4.102 -10.580 1.00 24.23 H new ATOM 0 HG2 GLU A 93 -12.706 -4.735 -9.441 1.00 53.31 H new ATOM 0 HG3 GLU A 93 -12.130 -4.091 -7.917 1.00 53.31 H new ATOM 1458 N ASP A 94 -7.719 -4.242 -9.097 1.00 54.33 N ATOM 1459 CA ASP A 94 -6.362 -4.051 -9.606 1.00 44.53 C ATOM 1460 C ASP A 94 -5.374 -4.970 -8.899 1.00 13.35 C ATOM 1461 O ASP A 94 -4.258 -5.181 -9.366 1.00 43.35 O ATOM 1462 CB ASP A 94 -5.936 -2.593 -9.440 1.00 1.43 C ATOM 1463 CG ASP A 94 -4.773 -2.232 -10.343 1.00 12.43 C ATOM 1464 OD1 ASP A 94 -4.871 -2.471 -11.565 1.00 12.40 O ATOM 1465 OD2 ASP A 94 -3.766 -1.695 -9.838 1.00 21.02 O ATOM 0 H ASP A 94 -8.011 -3.542 -8.415 1.00 54.33 H new ATOM 0 HA ASP A 94 -6.361 -4.305 -10.666 1.00 44.53 H new ATOM 0 HB2 ASP A 94 -6.781 -1.941 -9.661 1.00 1.43 H new ATOM 0 HB3 ASP A 94 -5.658 -2.413 -8.402 1.00 1.43 H new ATOM 1470 N SER A 95 -5.814 -5.535 -7.781 1.00 41.02 N ATOM 1471 CA SER A 95 -5.011 -6.475 -7.006 1.00 44.05 C ATOM 1472 C SER A 95 -4.739 -7.757 -7.799 1.00 42.53 C ATOM 1473 O SER A 95 -3.825 -8.517 -7.473 1.00 75.42 O ATOM 1474 CB SER A 95 -5.735 -6.804 -5.697 1.00 43.41 C ATOM 1475 OG SER A 95 -5.012 -7.737 -4.918 1.00 15.01 O ATOM 0 H SER A 95 -6.737 -5.355 -7.386 1.00 41.02 H new ATOM 0 HA SER A 95 -4.049 -6.012 -6.785 1.00 44.05 H new ATOM 0 HB2 SER A 95 -5.883 -5.889 -5.124 1.00 43.41 H new ATOM 0 HB3 SER A 95 -6.724 -7.205 -5.919 1.00 43.41 H new ATOM 0 HG SER A 95 -5.010 -8.607 -5.368 1.00 15.01 H new ATOM 1481 N GLN A 96 -5.527 -7.979 -8.850 1.00 61.12 N ATOM 1482 CA GLN A 96 -5.361 -9.141 -9.711 1.00 0.01 C ATOM 1483 C GLN A 96 -4.061 -9.046 -10.518 1.00 33.01 C ATOM 1484 O GLN A 96 -3.528 -10.057 -10.970 1.00 13.14 O ATOM 1485 CB GLN A 96 -6.566 -9.270 -10.647 1.00 64.12 C ATOM 1486 CG GLN A 96 -6.599 -10.574 -11.428 1.00 75.11 C ATOM 1487 CD GLN A 96 -6.797 -11.794 -10.545 1.00 63.44 C ATOM 1488 OE1 GLN A 96 -7.922 -12.210 -10.284 1.00 2.31 O ATOM 1489 NE2 GLN A 96 -5.705 -12.384 -10.095 1.00 52.50 N ATOM 0 H GLN A 96 -6.291 -7.362 -9.124 1.00 61.12 H new ATOM 0 HA GLN A 96 -5.300 -10.031 -9.085 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -7.481 -9.185 -10.060 1.00 64.12 H new ATOM 0 HB3 GLN A 96 -6.560 -8.437 -11.349 1.00 64.12 H new ATOM 0 HG2 GLN A 96 -7.403 -10.530 -12.162 1.00 75.11 H new ATOM 0 HG3 GLN A 96 -5.667 -10.682 -11.982 1.00 75.11 H new ATOM 0 HE21 GLN A 96 -4.787 -12.008 -10.334 1.00 52.50 H new ATOM 0 HE22 GLN A 96 -5.779 -13.215 -9.509 1.00 52.50 H new ATOM 1498 N ARG A 97 -3.544 -7.833 -10.679 1.00 30.23 N ATOM 1499 CA ARG A 97 -2.314 -7.628 -11.435 1.00 45.22 C ATOM 1500 C ARG A 97 -1.104 -7.994 -10.577 1.00 3.03 C ATOM 1501 O ARG A 97 -1.109 -7.782 -9.363 1.00 32.03 O ATOM 1502 CB ARG A 97 -2.193 -6.177 -11.916 1.00 50.44 C ATOM 1503 CG ARG A 97 -3.473 -5.607 -12.511 1.00 20.31 C ATOM 1504 CD ARG A 97 -3.991 -6.448 -13.667 1.00 41.22 C ATOM 1505 NE ARG A 97 -5.259 -5.933 -14.180 1.00 24.24 N ATOM 1506 CZ ARG A 97 -6.255 -6.695 -14.637 1.00 60.12 C ATOM 1507 NH1 ARG A 97 -6.142 -8.018 -14.653 1.00 41.42 N ATOM 1508 NH2 ARG A 97 -7.370 -6.128 -15.075 1.00 41.23 N ATOM 0 H ARG A 97 -3.955 -6.981 -10.298 1.00 30.23 H new ATOM 0 HA ARG A 97 -2.345 -8.275 -12.311 1.00 45.22 H new ATOM 0 HB2 ARG A 97 -1.886 -5.552 -11.077 1.00 50.44 H new ATOM 0 HB3 ARG A 97 -1.401 -6.119 -12.663 1.00 50.44 H new ATOM 0 HG2 ARG A 97 -4.237 -5.547 -11.736 1.00 20.31 H new ATOM 0 HG3 ARG A 97 -3.290 -4.590 -12.857 1.00 20.31 H new ATOM 0 HD2 ARG A 97 -3.252 -6.461 -14.468 1.00 41.22 H new ATOM 0 HD3 ARG A 97 -4.123 -7.479 -13.338 1.00 41.22 H new ATOM 0 HE ARG A 97 -5.392 -4.922 -14.189 1.00 24.24 H new ATOM 0 HH11 ARG A 97 -5.288 -8.461 -14.314 1.00 41.42 H new ATOM 0 HH12 ARG A 97 -6.909 -8.591 -15.004 1.00 41.42 H new ATOM 0 HH21 ARG A 97 -7.465 -5.113 -15.062 1.00 41.23 H new ATOM 0 HH22 ARG A 97 -8.133 -6.707 -15.425 1.00 41.23 H new ATOM 1522 N PRO A 98 -0.065 -8.573 -11.195 1.00 31.33 N ATOM 1523 CA PRO A 98 1.163 -8.956 -10.491 1.00 73.11 C ATOM 1524 C PRO A 98 2.013 -7.746 -10.099 1.00 31.13 C ATOM 1525 O PRO A 98 2.475 -6.989 -10.958 1.00 34.42 O ATOM 1526 CB PRO A 98 1.900 -9.824 -11.515 1.00 64.33 C ATOM 1527 CG PRO A 98 1.402 -9.373 -12.845 1.00 24.22 C ATOM 1528 CD PRO A 98 -0.012 -8.910 -12.631 1.00 5.43 C ATOM 0 HA PRO A 98 0.953 -9.467 -9.551 1.00 73.11 H new ATOM 0 HB2 PRO A 98 2.979 -9.695 -11.435 1.00 64.33 H new ATOM 0 HB3 PRO A 98 1.692 -10.882 -11.356 1.00 64.33 H new ATOM 0 HG2 PRO A 98 2.020 -8.566 -13.238 1.00 24.22 H new ATOM 0 HG3 PRO A 98 1.439 -10.186 -13.570 1.00 24.22 H new ATOM 0 HD2 PRO A 98 -0.247 -8.046 -13.253 1.00 5.43 H new ATOM 0 HD3 PRO A 98 -0.730 -9.690 -12.885 1.00 5.43 H new ATOM 1536 N GLY A 99 2.207 -7.561 -8.802 1.00 22.33 N ATOM 1537 CA GLY A 99 3.006 -6.447 -8.324 1.00 61.25 C ATOM 1538 C GLY A 99 2.185 -5.420 -7.574 1.00 53.20 C ATOM 1539 O GLY A 99 2.738 -4.493 -6.985 1.00 5.22 O ATOM 0 H GLY A 99 1.826 -8.161 -8.070 1.00 22.33 H new ATOM 0 HA2 GLY A 99 3.794 -6.824 -7.671 1.00 61.25 H new ATOM 0 HA3 GLY A 99 3.496 -5.967 -9.171 1.00 61.25 H new ATOM 1543 N ALA A 100 0.869 -5.606 -7.577 1.00 42.14 N ATOM 1544 CA ALA A 100 -0.054 -4.666 -6.949 1.00 54.54 C ATOM 1545 C ALA A 100 0.126 -4.628 -5.436 1.00 54.50 C ATOM 1546 O ALA A 100 0.157 -3.556 -4.840 1.00 62.13 O ATOM 1547 CB ALA A 100 -1.490 -5.027 -7.297 1.00 3.53 C ATOM 0 H ALA A 100 0.414 -6.408 -8.012 1.00 42.14 H new ATOM 0 HA ALA A 100 0.171 -3.672 -7.336 1.00 54.54 H new ATOM 0 HB1 ALA A 100 -2.169 -4.318 -6.822 1.00 3.53 H new ATOM 0 HB2 ALA A 100 -1.623 -4.988 -8.378 1.00 3.53 H new ATOM 0 HB3 ALA A 100 -1.709 -6.033 -6.940 1.00 3.53 H new ATOM 1553 N HIS A 101 0.262 -5.795 -4.822 1.00 45.10 N ATOM 1554 CA HIS A 101 0.374 -5.882 -3.371 1.00 31.51 C ATOM 1555 C HIS A 101 1.791 -6.228 -2.923 1.00 51.51 C ATOM 1556 O HIS A 101 2.019 -6.562 -1.757 1.00 41.34 O ATOM 1557 CB HIS A 101 -0.616 -6.908 -2.821 1.00 3.45 C ATOM 1558 CG HIS A 101 -1.939 -6.318 -2.445 1.00 24.25 C ATOM 1559 ND1 HIS A 101 -3.114 -6.781 -2.978 1.00 70.10 N ATOM 1560 CD2 HIS A 101 -2.216 -5.323 -1.569 1.00 42.11 C ATOM 1561 CE1 HIS A 101 -4.073 -6.067 -2.416 1.00 1.44 C ATOM 1562 NE2 HIS A 101 -3.578 -5.172 -1.555 1.00 2.24 N ATOM 0 H HIS A 101 0.298 -6.693 -5.304 1.00 45.10 H new ATOM 0 HA HIS A 101 0.134 -4.897 -2.970 1.00 31.51 H new ATOM 0 HB2 HIS A 101 -0.773 -7.686 -3.568 1.00 3.45 H new ATOM 0 HB3 HIS A 101 -0.180 -7.389 -1.946 1.00 3.45 H new ATOM 0 HD1 HIS A 101 -3.225 -7.525 -3.667 1.00 70.10 H new ATOM 0 HD2 HIS A 101 -1.500 -4.757 -0.992 1.00 42.11 H new ATOM 0 HE1 HIS A 101 -5.125 -6.191 -2.626 1.00 1.44 H new ATOM 1570 N LEU A 102 2.749 -6.140 -3.837 1.00 73.22 N ATOM 1571 CA LEU A 102 4.143 -6.380 -3.488 1.00 33.31 C ATOM 1572 C LEU A 102 4.714 -5.164 -2.766 1.00 24.44 C ATOM 1573 O LEU A 102 4.212 -4.052 -2.923 1.00 11.12 O ATOM 1574 CB LEU A 102 4.986 -6.703 -4.729 1.00 64.21 C ATOM 1575 CG LEU A 102 4.676 -8.042 -5.413 1.00 42.54 C ATOM 1576 CD1 LEU A 102 5.658 -8.295 -6.548 1.00 43.10 C ATOM 1577 CD2 LEU A 102 4.721 -9.187 -4.414 1.00 21.34 C ATOM 0 H LEU A 102 2.589 -5.906 -4.817 1.00 73.22 H new ATOM 0 HA LEU A 102 4.181 -7.245 -2.826 1.00 33.31 H new ATOM 0 HB2 LEU A 102 4.849 -5.904 -5.457 1.00 64.21 H new ATOM 0 HB3 LEU A 102 6.038 -6.697 -4.443 1.00 64.21 H new ATOM 0 HG LEU A 102 3.668 -7.988 -5.824 1.00 42.54 H new ATOM 0 HD11 LEU A 102 5.426 -9.248 -7.024 1.00 43.10 H new ATOM 0 HD12 LEU A 102 5.579 -7.494 -7.283 1.00 43.10 H new ATOM 0 HD13 LEU A 102 6.673 -8.325 -6.151 1.00 43.10 H new ATOM 0 HD21 LEU A 102 4.498 -10.124 -4.924 1.00 21.34 H new ATOM 0 HD22 LEU A 102 5.715 -9.243 -3.970 1.00 21.34 H new ATOM 0 HD23 LEU A 102 3.983 -9.016 -3.631 1.00 21.34 H new ATOM 1589 N THR A 103 5.750 -5.375 -1.967 1.00 24.31 N ATOM 1590 CA THR A 103 6.361 -4.291 -1.215 1.00 4.11 C ATOM 1591 C THR A 103 7.241 -3.436 -2.117 1.00 64.24 C ATOM 1592 O THR A 103 8.428 -3.711 -2.296 1.00 41.42 O ATOM 1593 CB THR A 103 7.205 -4.822 -0.046 1.00 62.21 C ATOM 1594 OG1 THR A 103 6.572 -5.979 0.519 1.00 43.21 O ATOM 1595 CG2 THR A 103 7.380 -3.762 1.027 1.00 53.40 C ATOM 0 H THR A 103 6.184 -6.287 -1.823 1.00 24.31 H new ATOM 0 HA THR A 103 5.550 -3.683 -0.815 1.00 4.11 H new ATOM 0 HB THR A 103 8.190 -5.089 -0.428 1.00 62.21 H new ATOM 0 HG1 THR A 103 6.317 -5.792 1.447 1.00 43.21 H new ATOM 0 HG21 THR A 103 7.981 -4.165 1.842 1.00 53.40 H new ATOM 0 HG22 THR A 103 7.882 -2.893 0.601 1.00 53.40 H new ATOM 0 HG23 THR A 103 6.403 -3.466 1.409 1.00 53.40 H new ATOM 1603 N VAL A 104 6.635 -2.431 -2.720 1.00 64.42 N ATOM 1604 CA VAL A 104 7.357 -1.470 -3.529 1.00 3.13 C ATOM 1605 C VAL A 104 7.054 -0.085 -2.987 1.00 30.11 C ATOM 1606 O VAL A 104 5.915 0.204 -2.608 1.00 73.31 O ATOM 1607 CB VAL A 104 6.996 -1.575 -5.048 1.00 11.15 C ATOM 1608 CG1 VAL A 104 6.467 -2.962 -5.393 1.00 0.42 C ATOM 1609 CG2 VAL A 104 6.009 -0.506 -5.495 1.00 23.14 C ATOM 0 H VAL A 104 5.631 -2.259 -2.663 1.00 64.42 H new ATOM 0 HA VAL A 104 8.425 -1.679 -3.465 1.00 3.13 H new ATOM 0 HB VAL A 104 7.924 -1.404 -5.595 1.00 11.15 H new ATOM 0 HG11 VAL A 104 6.225 -3.005 -6.455 1.00 0.42 H new ATOM 0 HG12 VAL A 104 7.227 -3.709 -5.164 1.00 0.42 H new ATOM 0 HG13 VAL A 104 5.570 -3.165 -4.808 1.00 0.42 H new ATOM 0 HG21 VAL A 104 5.796 -0.629 -6.557 1.00 23.14 H new ATOM 0 HG22 VAL A 104 5.085 -0.604 -4.926 1.00 23.14 H new ATOM 0 HG23 VAL A 104 6.439 0.481 -5.323 1.00 23.14 H new ATOM 1619 N LYS A 105 8.071 0.742 -2.857 1.00 64.52 N ATOM 1620 CA LYS A 105 7.874 2.098 -2.389 1.00 23.24 C ATOM 1621 C LYS A 105 8.161 3.089 -3.511 1.00 34.24 C ATOM 1622 O LYS A 105 8.432 4.260 -3.274 1.00 4.41 O ATOM 1623 CB LYS A 105 8.780 2.343 -1.187 1.00 42.42 C ATOM 1624 CG LYS A 105 8.752 1.191 -0.194 1.00 41.12 C ATOM 1625 CD LYS A 105 9.664 1.425 0.991 1.00 55.54 C ATOM 1626 CE LYS A 105 9.631 0.246 1.947 1.00 43.51 C ATOM 1627 NZ LYS A 105 10.520 0.454 3.117 1.00 15.41 N ATOM 0 H LYS A 105 9.039 0.500 -3.068 1.00 64.52 H new ATOM 0 HA LYS A 105 6.837 2.240 -2.083 1.00 23.24 H new ATOM 0 HB2 LYS A 105 9.803 2.497 -1.532 1.00 42.42 H new ATOM 0 HB3 LYS A 105 8.472 3.260 -0.684 1.00 42.42 H new ATOM 0 HG2 LYS A 105 7.731 1.046 0.160 1.00 41.12 H new ATOM 0 HG3 LYS A 105 9.048 0.272 -0.700 1.00 41.12 H new ATOM 0 HD2 LYS A 105 10.684 1.586 0.643 1.00 55.54 H new ATOM 0 HD3 LYS A 105 9.359 2.331 1.515 1.00 55.54 H new ATOM 0 HE2 LYS A 105 8.609 0.087 2.292 1.00 43.51 H new ATOM 0 HE3 LYS A 105 9.933 -0.658 1.418 1.00 43.51 H new ATOM 0 HZ1 LYS A 105 10.468 -0.374 3.744 1.00 15.41 H new ATOM 0 HZ2 LYS A 105 11.499 0.580 2.791 1.00 15.41 H new ATOM 0 HZ3 LYS A 105 10.217 1.302 3.637 1.00 15.41 H new ATOM 1641 N LYS A 106 8.103 2.595 -4.735 1.00 64.25 N ATOM 1642 CA LYS A 106 8.272 3.426 -5.917 1.00 42.15 C ATOM 1643 C LYS A 106 6.994 3.438 -6.740 1.00 21.51 C ATOM 1644 O LYS A 106 6.313 2.421 -6.837 1.00 73.13 O ATOM 1645 CB LYS A 106 9.428 2.891 -6.761 1.00 65.23 C ATOM 1646 CG LYS A 106 10.734 3.621 -6.530 1.00 51.14 C ATOM 1647 CD LYS A 106 10.857 4.830 -7.436 1.00 5.35 C ATOM 1648 CE LYS A 106 11.227 4.423 -8.851 1.00 52.14 C ATOM 1649 NZ LYS A 106 12.652 4.015 -8.957 1.00 22.21 N ATOM 0 H LYS A 106 7.938 1.609 -4.939 1.00 64.25 H new ATOM 0 HA LYS A 106 8.496 4.446 -5.603 1.00 42.15 H new ATOM 0 HB2 LYS A 106 9.569 1.833 -6.541 1.00 65.23 H new ATOM 0 HB3 LYS A 106 9.162 2.964 -7.815 1.00 65.23 H new ATOM 0 HG2 LYS A 106 10.797 3.936 -5.489 1.00 51.14 H new ATOM 0 HG3 LYS A 106 11.569 2.943 -6.709 1.00 51.14 H new ATOM 0 HD2 LYS A 106 9.914 5.376 -7.447 1.00 5.35 H new ATOM 0 HD3 LYS A 106 11.613 5.508 -7.041 1.00 5.35 H new ATOM 0 HE2 LYS A 106 10.589 3.599 -9.170 1.00 52.14 H new ATOM 0 HE3 LYS A 106 11.036 5.255 -9.529 1.00 52.14 H new ATOM 0 HZ1 LYS A 106 12.785 3.439 -9.812 1.00 22.21 H new ATOM 0 HZ2 LYS A 106 13.252 4.862 -9.013 1.00 22.21 H new ATOM 0 HZ3 LYS A 106 12.917 3.458 -8.120 1.00 22.21 H new ATOM 1663 N ILE A 107 6.651 4.583 -7.319 1.00 53.20 N ATOM 1664 CA ILE A 107 5.498 4.666 -8.207 1.00 33.51 C ATOM 1665 C ILE A 107 5.882 5.277 -9.546 1.00 35.24 C ATOM 1666 O ILE A 107 6.804 6.092 -9.635 1.00 63.02 O ATOM 1667 CB ILE A 107 4.339 5.488 -7.604 1.00 53.12 C ATOM 1668 CG1 ILE A 107 4.874 6.762 -6.952 1.00 40.32 C ATOM 1669 CG2 ILE A 107 3.549 4.649 -6.614 1.00 20.20 C ATOM 1670 CD1 ILE A 107 3.795 7.650 -6.384 1.00 3.11 C ATOM 0 H ILE A 107 7.152 5.462 -7.190 1.00 53.20 H new ATOM 0 HA ILE A 107 5.156 3.641 -8.347 1.00 33.51 H new ATOM 0 HB ILE A 107 3.661 5.781 -8.406 1.00 53.12 H new ATOM 0 HG12 ILE A 107 5.565 6.489 -6.155 1.00 40.32 H new ATOM 0 HG13 ILE A 107 5.445 7.325 -7.690 1.00 40.32 H new ATOM 0 HG21 ILE A 107 2.736 5.245 -6.199 1.00 20.20 H new ATOM 0 HG22 ILE A 107 3.137 3.778 -7.123 1.00 20.20 H new ATOM 0 HG23 ILE A 107 4.206 4.322 -5.809 1.00 20.20 H new ATOM 0 HD11 ILE A 107 4.249 8.535 -5.938 1.00 3.11 H new ATOM 0 HD12 ILE A 107 3.116 7.954 -7.181 1.00 3.11 H new ATOM 0 HD13 ILE A 107 3.238 7.104 -5.622 1.00 3.11 H new ATOM 1682 N PHE A 108 5.174 4.854 -10.578 1.00 54.33 N ATOM 1683 CA PHE A 108 5.363 5.361 -11.924 1.00 53.11 C ATOM 1684 C PHE A 108 4.267 6.364 -12.233 1.00 32.01 C ATOM 1685 O PHE A 108 3.112 6.134 -11.895 1.00 72.51 O ATOM 1686 CB PHE A 108 5.343 4.183 -12.918 1.00 63.15 C ATOM 1687 CG PHE A 108 4.897 4.522 -14.322 1.00 43.34 C ATOM 1688 CD1 PHE A 108 3.552 4.465 -14.668 1.00 50.01 C ATOM 1689 CD2 PHE A 108 5.817 4.876 -15.294 1.00 73.12 C ATOM 1690 CE1 PHE A 108 3.136 4.758 -15.949 1.00 4.34 C ATOM 1691 CE2 PHE A 108 5.405 5.172 -16.581 1.00 52.21 C ATOM 1692 CZ PHE A 108 4.062 5.113 -16.909 1.00 55.44 C ATOM 0 H PHE A 108 4.446 4.143 -10.504 1.00 54.33 H new ATOM 0 HA PHE A 108 6.326 5.865 -12.012 1.00 53.11 H new ATOM 0 HB2 PHE A 108 6.344 3.755 -12.967 1.00 63.15 H new ATOM 0 HB3 PHE A 108 4.685 3.409 -12.524 1.00 63.15 H new ATOM 0 HD1 PHE A 108 2.822 4.187 -13.922 1.00 50.01 H new ATOM 0 HD2 PHE A 108 6.867 4.922 -15.045 1.00 73.12 H new ATOM 0 HE1 PHE A 108 2.087 4.710 -16.201 1.00 4.34 H new ATOM 0 HE2 PHE A 108 6.132 5.449 -17.330 1.00 52.21 H new ATOM 0 HZ PHE A 108 3.739 5.344 -17.913 1.00 55.44 H new ATOM 1702 N VAL A 109 4.634 7.478 -12.841 1.00 75.23 N ATOM 1703 CA VAL A 109 3.660 8.486 -13.240 1.00 12.12 C ATOM 1704 C VAL A 109 3.820 8.790 -14.725 1.00 41.22 C ATOM 1705 O VAL A 109 4.787 9.421 -15.118 1.00 10.34 O ATOM 1706 CB VAL A 109 3.840 9.799 -12.439 1.00 53.14 C ATOM 1707 CG1 VAL A 109 2.639 10.716 -12.616 1.00 72.10 C ATOM 1708 CG2 VAL A 109 4.083 9.512 -10.968 1.00 5.31 C ATOM 0 H VAL A 109 5.600 7.710 -13.071 1.00 75.23 H new ATOM 0 HA VAL A 109 2.666 8.089 -13.035 1.00 12.12 H new ATOM 0 HB VAL A 109 4.718 10.310 -12.834 1.00 53.14 H new ATOM 0 HG11 VAL A 109 2.792 11.630 -12.043 1.00 72.10 H new ATOM 0 HG12 VAL A 109 2.523 10.964 -13.671 1.00 72.10 H new ATOM 0 HG13 VAL A 109 1.740 10.211 -12.261 1.00 72.10 H new ATOM 0 HG21 VAL A 109 4.206 10.452 -10.429 1.00 5.31 H new ATOM 0 HG22 VAL A 109 3.232 8.967 -10.558 1.00 5.31 H new ATOM 0 HG23 VAL A 109 4.985 8.911 -10.859 1.00 5.31 H new ATOM 1718 N GLY A 110 2.869 8.371 -15.543 1.00 65.14 N ATOM 1719 CA GLY A 110 3.014 8.534 -16.978 1.00 42.54 C ATOM 1720 C GLY A 110 1.887 9.336 -17.580 1.00 33.23 C ATOM 1721 O GLY A 110 0.753 9.267 -17.112 1.00 24.02 O ATOM 0 H GLY A 110 2.003 7.923 -15.244 1.00 65.14 H new ATOM 0 HA2 GLY A 110 3.962 9.027 -17.191 1.00 42.54 H new ATOM 0 HA3 GLY A 110 3.052 7.553 -17.451 1.00 42.54 H new ATOM 1725 N GLY A 111 2.194 10.096 -18.618 1.00 43.30 N ATOM 1726 CA GLY A 111 1.200 10.968 -19.204 1.00 54.43 C ATOM 1727 C GLY A 111 1.108 12.257 -18.433 1.00 63.21 C ATOM 1728 O GLY A 111 0.024 12.690 -18.040 1.00 12.43 O ATOM 0 H GLY A 111 3.111 10.125 -19.064 1.00 43.30 H new ATOM 0 HA2 GLY A 111 1.458 11.176 -20.242 1.00 54.43 H new ATOM 0 HA3 GLY A 111 0.230 10.471 -19.210 1.00 54.43 H new ATOM 1732 N ILE A 112 2.261 12.859 -18.212 1.00 1.12 N ATOM 1733 CA ILE A 112 2.369 14.041 -17.379 1.00 11.45 C ATOM 1734 C ILE A 112 2.238 15.318 -18.202 1.00 13.54 C ATOM 1735 O ILE A 112 2.016 15.273 -19.411 1.00 22.31 O ATOM 1736 CB ILE A 112 3.706 14.051 -16.602 1.00 22.15 C ATOM 1737 CG1 ILE A 112 4.894 13.896 -17.563 1.00 21.31 C ATOM 1738 CG2 ILE A 112 3.707 12.944 -15.556 1.00 64.33 C ATOM 1739 CD1 ILE A 112 6.241 13.819 -16.873 1.00 23.53 C ATOM 0 H ILE A 112 3.148 12.543 -18.604 1.00 1.12 H new ATOM 0 HA ILE A 112 1.547 14.007 -16.665 1.00 11.45 H new ATOM 0 HB ILE A 112 3.810 15.010 -16.095 1.00 22.15 H new ATOM 0 HG12 ILE A 112 4.751 12.994 -18.159 1.00 21.31 H new ATOM 0 HG13 ILE A 112 4.900 14.738 -18.255 1.00 21.31 H new ATOM 0 HG21 ILE A 112 4.652 12.957 -15.013 1.00 64.33 H new ATOM 0 HG22 ILE A 112 2.885 13.102 -14.858 1.00 64.33 H new ATOM 0 HG23 ILE A 112 3.585 11.979 -16.048 1.00 64.33 H new ATOM 0 HD11 ILE A 112 7.027 13.710 -17.620 1.00 23.53 H new ATOM 0 HD12 ILE A 112 6.409 14.731 -16.300 1.00 23.53 H new ATOM 0 HD13 ILE A 112 6.257 12.960 -16.202 1.00 23.53 H new ATOM 1751 N LYS A 113 2.375 16.448 -17.535 1.00 30.12 N ATOM 1752 CA LYS A 113 2.258 17.750 -18.172 1.00 23.44 C ATOM 1753 C LYS A 113 3.602 18.147 -18.789 1.00 1.51 C ATOM 1754 O LYS A 113 4.649 17.666 -18.349 1.00 51.53 O ATOM 1755 CB LYS A 113 1.810 18.759 -17.112 1.00 24.32 C ATOM 1756 CG LYS A 113 1.463 20.142 -17.627 1.00 70.24 C ATOM 1757 CD LYS A 113 0.938 21.002 -16.493 1.00 54.10 C ATOM 1758 CE LYS A 113 0.679 22.429 -16.921 1.00 72.52 C ATOM 1759 NZ LYS A 113 0.136 23.242 -15.805 1.00 31.30 N ATOM 0 H LYS A 113 2.571 16.491 -16.535 1.00 30.12 H new ATOM 0 HA LYS A 113 1.523 17.724 -18.976 1.00 23.44 H new ATOM 0 HB2 LYS A 113 0.939 18.354 -16.596 1.00 24.32 H new ATOM 0 HB3 LYS A 113 2.603 18.856 -16.371 1.00 24.32 H new ATOM 0 HG2 LYS A 113 2.345 20.606 -18.068 1.00 70.24 H new ATOM 0 HG3 LYS A 113 0.714 20.068 -18.415 1.00 70.24 H new ATOM 0 HD2 LYS A 113 0.015 20.568 -16.109 1.00 54.10 H new ATOM 0 HD3 LYS A 113 1.657 20.996 -15.674 1.00 54.10 H new ATOM 0 HE2 LYS A 113 1.606 22.876 -17.281 1.00 72.52 H new ATOM 0 HE3 LYS A 113 -0.023 22.438 -17.754 1.00 72.52 H new ATOM 0 HZ1 LYS A 113 -0.520 23.955 -16.182 1.00 31.30 H new ATOM 0 HZ2 LYS A 113 -0.370 22.624 -15.139 1.00 31.30 H new ATOM 0 HZ3 LYS A 113 0.917 23.718 -15.310 1.00 31.30 H new ATOM 1773 N GLU A 114 3.573 19.001 -19.814 1.00 5.21 N ATOM 1774 CA GLU A 114 4.802 19.475 -20.458 1.00 30.11 C ATOM 1775 C GLU A 114 5.702 20.189 -19.456 1.00 4.41 C ATOM 1776 O GLU A 114 6.926 20.071 -19.512 1.00 60.12 O ATOM 1777 CB GLU A 114 4.485 20.409 -21.624 1.00 53.54 C ATOM 1778 CG GLU A 114 3.869 19.702 -22.819 1.00 13.13 C ATOM 1779 CD GLU A 114 4.699 18.527 -23.287 1.00 63.11 C ATOM 1780 OE1 GLU A 114 5.803 18.745 -23.822 1.00 64.51 O ATOM 1781 OE2 GLU A 114 4.260 17.377 -23.116 1.00 4.51 O ATOM 0 H GLU A 114 2.715 19.378 -20.216 1.00 5.21 H new ATOM 0 HA GLU A 114 5.328 18.601 -20.843 1.00 30.11 H new ATOM 0 HB2 GLU A 114 3.802 21.186 -21.281 1.00 53.54 H new ATOM 0 HB3 GLU A 114 5.402 20.907 -21.940 1.00 53.54 H new ATOM 0 HG2 GLU A 114 2.869 19.355 -22.557 1.00 13.13 H new ATOM 0 HG3 GLU A 114 3.755 20.412 -23.638 1.00 13.13 H new ATOM 1788 N ASP A 115 5.089 20.928 -18.544 1.00 12.22 N ATOM 1789 CA ASP A 115 5.825 21.569 -17.470 1.00 73.43 C ATOM 1790 C ASP A 115 5.533 20.870 -16.148 1.00 74.30 C ATOM 1791 O ASP A 115 4.622 21.263 -15.422 1.00 20.51 O ATOM 1792 CB ASP A 115 5.460 23.056 -17.358 1.00 41.00 C ATOM 1793 CG ASP A 115 5.834 23.860 -18.586 1.00 20.03 C ATOM 1794 OD1 ASP A 115 6.998 24.295 -18.687 1.00 34.23 O ATOM 1795 OD2 ASP A 115 4.958 24.074 -19.450 1.00 73.44 O ATOM 0 H ASP A 115 4.083 21.098 -18.528 1.00 12.22 H new ATOM 0 HA ASP A 115 6.888 21.492 -17.698 1.00 73.43 H new ATOM 0 HB2 ASP A 115 4.388 23.148 -17.185 1.00 41.00 H new ATOM 0 HB3 ASP A 115 5.960 23.481 -16.488 1.00 41.00 H new ATOM 1800 N THR A 116 6.270 19.806 -15.861 1.00 15.21 N ATOM 1801 CA THR A 116 6.141 19.125 -14.583 1.00 71.31 C ATOM 1802 C THR A 116 7.486 19.064 -13.876 1.00 12.14 C ATOM 1803 O THR A 116 8.470 18.541 -14.401 1.00 2.03 O ATOM 1804 CB THR A 116 5.566 17.700 -14.723 1.00 25.22 C ATOM 1805 OG1 THR A 116 4.426 17.716 -15.587 1.00 13.01 O ATOM 1806 CG2 THR A 116 5.161 17.148 -13.356 1.00 32.42 C ATOM 0 H THR A 116 6.959 19.398 -16.493 1.00 15.21 H new ATOM 0 HA THR A 116 5.435 19.707 -13.990 1.00 71.31 H new ATOM 0 HB THR A 116 6.337 17.058 -15.149 1.00 25.22 H new ATOM 0 HG1 THR A 116 4.722 17.679 -16.520 1.00 13.01 H new ATOM 0 HG21 THR A 116 4.758 16.142 -13.475 1.00 32.42 H new ATOM 0 HG22 THR A 116 6.034 17.114 -12.704 1.00 32.42 H new ATOM 0 HG23 THR A 116 4.402 17.793 -12.913 1.00 32.42 H new ATOM 1814 N GLU A 117 7.497 19.606 -12.681 1.00 53.24 N ATOM 1815 CA GLU A 117 8.702 19.663 -11.884 1.00 4.25 C ATOM 1816 C GLU A 117 8.573 18.785 -10.651 1.00 50.34 C ATOM 1817 O GLU A 117 7.498 18.234 -10.369 1.00 4.12 O ATOM 1818 CB GLU A 117 9.045 21.105 -11.505 1.00 40.22 C ATOM 1819 CG GLU A 117 8.016 21.793 -10.632 1.00 34.34 C ATOM 1820 CD GLU A 117 8.421 23.207 -10.288 1.00 33.11 C ATOM 1821 OE1 GLU A 117 8.100 24.126 -11.065 1.00 41.42 O ATOM 1822 OE2 GLU A 117 9.074 23.404 -9.247 1.00 22.41 O ATOM 0 H GLU A 117 6.677 20.018 -12.235 1.00 53.24 H new ATOM 0 HA GLU A 117 9.525 19.278 -12.486 1.00 4.25 H new ATOM 0 HB2 GLU A 117 10.004 21.112 -10.987 1.00 40.22 H new ATOM 0 HB3 GLU A 117 9.173 21.686 -12.419 1.00 40.22 H new ATOM 0 HG2 GLU A 117 7.055 21.806 -11.146 1.00 34.34 H new ATOM 0 HG3 GLU A 117 7.879 21.222 -9.714 1.00 34.34 H new ATOM 1829 N GLU A 118 9.687 18.652 -9.942 1.00 43.03 N ATOM 1830 CA GLU A 118 9.742 17.880 -8.712 1.00 41.13 C ATOM 1831 C GLU A 118 8.687 18.381 -7.730 1.00 32.10 C ATOM 1832 O GLU A 118 7.899 17.599 -7.214 1.00 62.45 O ATOM 1833 CB GLU A 118 11.157 17.964 -8.118 1.00 44.14 C ATOM 1834 CG GLU A 118 11.307 17.358 -6.730 1.00 40.12 C ATOM 1835 CD GLU A 118 11.338 18.405 -5.637 1.00 64.02 C ATOM 1836 OE1 GLU A 118 12.396 19.029 -5.437 1.00 72.12 O ATOM 1837 OE2 GLU A 118 10.306 18.617 -4.982 1.00 43.33 O ATOM 0 H GLU A 118 10.576 19.077 -10.205 1.00 43.03 H new ATOM 0 HA GLU A 118 9.523 16.833 -8.922 1.00 41.13 H new ATOM 0 HB2 GLU A 118 11.849 17.462 -8.794 1.00 44.14 H new ATOM 0 HB3 GLU A 118 11.456 19.011 -8.075 1.00 44.14 H new ATOM 0 HG2 GLU A 118 10.481 16.671 -6.546 1.00 40.12 H new ATOM 0 HG3 GLU A 118 12.224 16.771 -6.691 1.00 40.12 H new ATOM 1844 N HIS A 119 8.641 19.700 -7.550 1.00 50.52 N ATOM 1845 CA HIS A 119 7.706 20.347 -6.630 1.00 13.15 C ATOM 1846 C HIS A 119 6.249 20.002 -6.962 1.00 71.23 C ATOM 1847 O HIS A 119 5.429 19.861 -6.058 1.00 11.34 O ATOM 1848 CB HIS A 119 7.927 21.867 -6.675 1.00 3.41 C ATOM 1849 CG HIS A 119 7.026 22.674 -5.782 1.00 50.25 C ATOM 1850 ND1 HIS A 119 6.801 22.567 -4.452 1.00 13.32 N flip ATOM 1851 CD2 HIS A 119 6.294 23.726 -6.276 1.00 3.44 C flip ATOM 1852 CE1 HIS A 119 5.921 23.562 -4.117 1.00 33.45 C flip ATOM 1853 NE2 HIS A 119 5.645 24.234 -5.242 1.00 4.44 N flip ATOM 0 H HIS A 119 9.253 20.353 -8.040 1.00 50.52 H new ATOM 0 HA HIS A 119 7.898 19.977 -5.623 1.00 13.15 H new ATOM 0 HB2 HIS A 119 8.962 22.075 -6.403 1.00 3.41 H new ATOM 0 HB3 HIS A 119 7.793 22.207 -7.702 1.00 3.41 H new ATOM 0 HD2 HIS A 119 6.256 24.068 -7.300 1.00 3.44 H new ATOM 0 HE1 HIS A 119 5.525 23.766 -3.133 1.00 33.45 H new ATOM 0 HE2 HIS A 119 5.015 25.035 -5.294 1.00 4.44 H new ATOM 1861 N HIS A 120 5.940 19.850 -8.251 1.00 65.40 N ATOM 1862 CA HIS A 120 4.573 19.560 -8.689 1.00 21.10 C ATOM 1863 C HIS A 120 4.074 18.241 -8.120 1.00 31.21 C ATOM 1864 O HIS A 120 3.108 18.212 -7.347 1.00 1.53 O ATOM 1865 CB HIS A 120 4.480 19.547 -10.217 1.00 24.22 C ATOM 1866 CG HIS A 120 4.512 20.916 -10.824 1.00 3.13 C ATOM 1867 ND1 HIS A 120 5.085 21.143 -12.049 1.00 31.42 N ATOM 1868 CD2 HIS A 120 4.045 22.090 -10.330 1.00 51.11 C ATOM 1869 CE1 HIS A 120 4.957 22.440 -12.274 1.00 13.35 C ATOM 1870 NE2 HIS A 120 4.335 23.050 -11.261 1.00 42.24 N ATOM 0 H HIS A 120 6.618 19.923 -9.010 1.00 65.40 H new ATOM 0 HA HIS A 120 3.934 20.356 -8.308 1.00 21.10 H new ATOM 0 HB2 HIS A 120 5.305 18.959 -10.619 1.00 24.22 H new ATOM 0 HB3 HIS A 120 3.558 19.047 -10.514 1.00 24.22 H new ATOM 0 HD2 HIS A 120 3.542 22.238 -9.386 1.00 51.11 H new ATOM 0 HE1 HIS A 120 5.310 22.942 -13.163 1.00 13.35 H new ATOM 0 HE2 HIS A 120 4.117 24.044 -11.194 1.00 42.24 H new ATOM 1878 N LEU A 121 4.758 17.153 -8.440 1.00 30.12 N ATOM 1879 CA LEU A 121 4.266 15.852 -8.027 1.00 50.51 C ATOM 1880 C LEU A 121 4.663 15.536 -6.587 1.00 73.04 C ATOM 1881 O LEU A 121 4.013 14.732 -5.931 1.00 60.31 O ATOM 1882 CB LEU A 121 4.706 14.752 -9.001 1.00 30.00 C ATOM 1883 CG LEU A 121 6.187 14.721 -9.383 1.00 44.23 C ATOM 1884 CD1 LEU A 121 7.019 14.098 -8.280 1.00 53.02 C ATOM 1885 CD2 LEU A 121 6.369 13.954 -10.679 1.00 43.44 C ATOM 0 H LEU A 121 5.630 17.144 -8.969 1.00 30.12 H new ATOM 0 HA LEU A 121 3.177 15.886 -8.056 1.00 50.51 H new ATOM 0 HB2 LEU A 121 4.448 13.788 -8.563 1.00 30.00 H new ATOM 0 HB3 LEU A 121 4.121 14.854 -9.915 1.00 30.00 H new ATOM 0 HG LEU A 121 6.529 15.746 -9.524 1.00 44.23 H new ATOM 0 HD11 LEU A 121 8.068 14.088 -8.577 1.00 53.02 H new ATOM 0 HD12 LEU A 121 6.906 14.681 -7.366 1.00 53.02 H new ATOM 0 HD13 LEU A 121 6.682 13.076 -8.103 1.00 53.02 H new ATOM 0 HD21 LEU A 121 7.426 13.936 -10.946 1.00 43.44 H new ATOM 0 HD22 LEU A 121 6.009 12.933 -10.551 1.00 43.44 H new ATOM 0 HD23 LEU A 121 5.803 14.441 -11.473 1.00 43.44 H new ATOM 1897 N ARG A 122 5.714 16.185 -6.088 1.00 73.34 N ATOM 1898 CA ARG A 122 6.148 15.987 -4.708 1.00 64.43 C ATOM 1899 C ARG A 122 5.122 16.555 -3.741 1.00 14.12 C ATOM 1900 O ARG A 122 4.688 15.865 -2.826 1.00 55.32 O ATOM 1901 CB ARG A 122 7.518 16.625 -4.471 1.00 51.14 C ATOM 1902 CG ARG A 122 8.005 16.551 -3.032 1.00 13.41 C ATOM 1903 CD ARG A 122 7.804 17.872 -2.320 1.00 43.40 C ATOM 1904 NE ARG A 122 8.640 18.922 -2.891 1.00 24.24 N ATOM 1905 CZ ARG A 122 8.614 20.198 -2.522 1.00 62.42 C ATOM 1906 NH1 ARG A 122 7.785 20.610 -1.567 1.00 63.44 N ATOM 1907 NH2 ARG A 122 9.429 21.060 -3.114 1.00 41.24 N ATOM 0 H ARG A 122 6.278 16.850 -6.617 1.00 73.34 H new ATOM 0 HA ARG A 122 6.237 14.915 -4.530 1.00 64.43 H new ATOM 0 HB2 ARG A 122 8.249 16.136 -5.115 1.00 51.14 H new ATOM 0 HB3 ARG A 122 7.475 17.671 -4.774 1.00 51.14 H new ATOM 0 HG2 ARG A 122 7.468 15.764 -2.503 1.00 13.41 H new ATOM 0 HG3 ARG A 122 9.061 16.283 -3.016 1.00 13.41 H new ATOM 0 HD2 ARG A 122 6.756 18.165 -2.384 1.00 43.40 H new ATOM 0 HD3 ARG A 122 8.038 17.755 -1.262 1.00 43.40 H new ATOM 0 HE ARG A 122 9.293 18.657 -3.628 1.00 24.24 H new ATOM 0 HH11 ARG A 122 7.162 19.944 -1.111 1.00 63.44 H new ATOM 0 HH12 ARG A 122 7.773 21.592 -1.291 1.00 63.44 H new ATOM 0 HH21 ARG A 122 10.066 20.741 -3.844 1.00 41.24 H new ATOM 0 HH22 ARG A 122 9.419 22.042 -2.840 1.00 41.24 H new ATOM 1921 N ASP A 123 4.723 17.806 -3.962 1.00 45.33 N ATOM 1922 CA ASP A 123 3.722 18.461 -3.120 1.00 31.22 C ATOM 1923 C ASP A 123 2.410 17.682 -3.148 1.00 13.21 C ATOM 1924 O ASP A 123 1.673 17.642 -2.162 1.00 22.02 O ATOM 1925 CB ASP A 123 3.498 19.903 -3.588 1.00 53.22 C ATOM 1926 CG ASP A 123 2.448 20.641 -2.776 1.00 3.33 C ATOM 1927 OD1 ASP A 123 1.256 20.592 -3.143 1.00 24.01 O ATOM 1928 OD2 ASP A 123 2.812 21.296 -1.783 1.00 21.20 O ATOM 0 H ASP A 123 5.079 18.389 -4.720 1.00 45.33 H new ATOM 0 HA ASP A 123 4.089 18.481 -2.094 1.00 31.22 H new ATOM 0 HB2 ASP A 123 4.441 20.447 -3.530 1.00 53.22 H new ATOM 0 HB3 ASP A 123 3.198 19.895 -4.636 1.00 53.22 H new ATOM 1933 N TYR A 124 2.150 17.033 -4.276 1.00 20.02 N ATOM 1934 CA TYR A 124 0.952 16.242 -4.441 1.00 34.03 C ATOM 1935 C TYR A 124 1.053 14.876 -3.737 1.00 3.12 C ATOM 1936 O TYR A 124 0.215 14.541 -2.904 1.00 71.11 O ATOM 1937 CB TYR A 124 0.685 16.056 -5.926 1.00 35.31 C ATOM 1938 CG TYR A 124 -0.528 15.227 -6.196 1.00 64.31 C ATOM 1939 CD1 TYR A 124 -1.790 15.761 -6.021 1.00 43.12 C ATOM 1940 CD2 TYR A 124 -0.413 13.907 -6.593 1.00 54.31 C ATOM 1941 CE1 TYR A 124 -2.916 15.007 -6.241 1.00 54.41 C ATOM 1942 CE2 TYR A 124 -1.536 13.140 -6.813 1.00 62.40 C ATOM 1943 CZ TYR A 124 -2.787 13.700 -6.634 1.00 33.32 C ATOM 1944 OH TYR A 124 -3.917 12.955 -6.842 1.00 14.55 O ATOM 0 H TYR A 124 2.762 17.044 -5.092 1.00 20.02 H new ATOM 0 HA TYR A 124 0.123 16.774 -3.974 1.00 34.03 H new ATOM 0 HB2 TYR A 124 0.563 17.033 -6.394 1.00 35.31 H new ATOM 0 HB3 TYR A 124 1.552 15.586 -6.390 1.00 35.31 H new ATOM 0 HD1 TYR A 124 -1.893 16.789 -5.706 1.00 43.12 H new ATOM 0 HD2 TYR A 124 0.566 13.474 -6.732 1.00 54.31 H new ATOM 0 HE1 TYR A 124 -3.896 15.440 -6.105 1.00 54.41 H new ATOM 0 HE2 TYR A 124 -1.440 12.110 -7.123 1.00 62.40 H new ATOM 0 HH TYR A 124 -3.718 12.008 -6.688 1.00 14.55 H new ATOM 1954 N PHE A 125 2.063 14.087 -4.088 1.00 44.31 N ATOM 1955 CA PHE A 125 2.223 12.732 -3.547 1.00 51.03 C ATOM 1956 C PHE A 125 2.594 12.723 -2.057 1.00 12.44 C ATOM 1957 O PHE A 125 2.338 11.740 -1.364 1.00 22.20 O ATOM 1958 CB PHE A 125 3.281 11.959 -4.342 1.00 62.21 C ATOM 1959 CG PHE A 125 2.833 11.479 -5.699 1.00 51.33 C ATOM 1960 CD1 PHE A 125 1.739 10.634 -5.842 1.00 11.13 C ATOM 1961 CD2 PHE A 125 3.527 11.858 -6.830 1.00 42.23 C ATOM 1962 CE1 PHE A 125 1.351 10.184 -7.096 1.00 73.24 C ATOM 1963 CE2 PHE A 125 3.145 11.414 -8.079 1.00 34.32 C ATOM 1964 CZ PHE A 125 2.057 10.576 -8.213 1.00 53.32 C ATOM 0 H PHE A 125 2.790 14.360 -4.749 1.00 44.31 H new ATOM 0 HA PHE A 125 1.253 12.245 -3.645 1.00 51.03 H new ATOM 0 HB2 PHE A 125 4.156 12.597 -4.469 1.00 62.21 H new ATOM 0 HB3 PHE A 125 3.597 11.097 -3.755 1.00 62.21 H new ATOM 0 HD1 PHE A 125 1.185 10.324 -4.968 1.00 11.13 H new ATOM 0 HD2 PHE A 125 4.382 12.512 -6.736 1.00 42.23 H new ATOM 0 HE1 PHE A 125 0.498 9.529 -7.196 1.00 73.24 H new ATOM 0 HE2 PHE A 125 3.698 11.723 -8.953 1.00 34.32 H new ATOM 0 HZ PHE A 125 1.759 10.228 -9.191 1.00 53.32 H new ATOM 1974 N GLU A 126 3.169 13.819 -1.559 1.00 70.45 N ATOM 1975 CA GLU A 126 3.591 13.887 -0.151 1.00 13.44 C ATOM 1976 C GLU A 126 2.385 13.905 0.781 1.00 73.41 C ATOM 1977 O GLU A 126 2.489 13.550 1.954 1.00 41.20 O ATOM 1978 CB GLU A 126 4.476 15.107 0.125 1.00 34.10 C ATOM 1979 CG GLU A 126 5.961 14.799 0.091 1.00 50.33 C ATOM 1980 CD GLU A 126 6.789 15.818 0.839 1.00 3.33 C ATOM 1981 OE1 GLU A 126 6.787 16.999 0.453 1.00 71.30 O ATOM 1982 OE2 GLU A 126 7.453 15.437 1.820 1.00 63.23 O ATOM 0 H GLU A 126 3.353 14.665 -2.099 1.00 70.45 H new ATOM 0 HA GLU A 126 4.180 12.991 0.044 1.00 13.44 H new ATOM 0 HB2 GLU A 126 4.256 15.879 -0.612 1.00 34.10 H new ATOM 0 HB3 GLU A 126 4.221 15.517 1.102 1.00 34.10 H new ATOM 0 HG2 GLU A 126 6.132 13.812 0.521 1.00 50.33 H new ATOM 0 HG3 GLU A 126 6.295 14.757 -0.946 1.00 50.33 H new ATOM 1989 N GLN A 127 1.244 14.333 0.251 1.00 4.40 N ATOM 1990 CA GLN A 127 -0.020 14.291 0.985 1.00 44.04 C ATOM 1991 C GLN A 127 -0.373 12.856 1.403 1.00 23.32 C ATOM 1992 O GLN A 127 -1.071 12.642 2.394 1.00 2.24 O ATOM 1993 CB GLN A 127 -1.146 14.880 0.127 1.00 42.14 C ATOM 1994 CG GLN A 127 -0.800 16.227 -0.496 1.00 75.20 C ATOM 1995 CD GLN A 127 -1.952 16.827 -1.277 1.00 4.32 C ATOM 1996 OE1 GLN A 127 -2.748 17.594 -0.743 1.00 61.31 O ATOM 1997 NE2 GLN A 127 -2.055 16.474 -2.548 1.00 3.34 N ATOM 0 H GLN A 127 1.167 14.716 -0.691 1.00 4.40 H new ATOM 0 HA GLN A 127 0.094 14.889 1.889 1.00 44.04 H new ATOM 0 HB2 GLN A 127 -1.393 14.175 -0.667 1.00 42.14 H new ATOM 0 HB3 GLN A 127 -2.039 14.993 0.742 1.00 42.14 H new ATOM 0 HG2 GLN A 127 -0.501 16.920 0.291 1.00 75.20 H new ATOM 0 HG3 GLN A 127 0.058 16.106 -1.158 1.00 75.20 H new ATOM 0 HE21 GLN A 127 -1.374 15.834 -2.956 1.00 3.34 H new ATOM 0 HE22 GLN A 127 -2.816 16.842 -3.119 1.00 3.34 H new ATOM 2006 N TYR A 128 0.122 11.882 0.644 1.00 3.35 N ATOM 2007 CA TYR A 128 -0.107 10.472 0.946 1.00 34.02 C ATOM 2008 C TYR A 128 0.930 9.934 1.934 1.00 55.14 C ATOM 2009 O TYR A 128 0.619 9.074 2.759 1.00 54.32 O ATOM 2010 CB TYR A 128 -0.072 9.642 -0.338 1.00 23.14 C ATOM 2011 CG TYR A 128 -1.202 9.949 -1.296 1.00 53.45 C ATOM 2012 CD1 TYR A 128 -1.082 10.954 -2.248 1.00 22.12 C ATOM 2013 CD2 TYR A 128 -2.385 9.226 -1.250 1.00 0.31 C ATOM 2014 CE1 TYR A 128 -2.113 11.231 -3.125 1.00 44.01 C ATOM 2015 CE2 TYR A 128 -3.420 9.497 -2.122 1.00 53.21 C ATOM 2016 CZ TYR A 128 -3.277 10.500 -3.058 1.00 52.55 C ATOM 2017 OH TYR A 128 -4.310 10.777 -3.924 1.00 52.11 O ATOM 0 H TYR A 128 0.687 12.045 -0.189 1.00 3.35 H new ATOM 0 HA TYR A 128 -1.092 10.390 1.406 1.00 34.02 H new ATOM 0 HB2 TYR A 128 0.878 9.814 -0.845 1.00 23.14 H new ATOM 0 HB3 TYR A 128 -0.107 8.584 -0.077 1.00 23.14 H new ATOM 0 HD1 TYR A 128 -0.169 11.528 -2.303 1.00 22.12 H new ATOM 0 HD2 TYR A 128 -2.498 8.438 -0.520 1.00 0.31 H new ATOM 0 HE1 TYR A 128 -2.006 12.016 -3.859 1.00 44.01 H new ATOM 0 HE2 TYR A 128 -4.336 8.927 -2.072 1.00 53.21 H new ATOM 0 HH TYR A 128 -5.058 10.170 -3.745 1.00 52.11 H new ATOM 2027 N GLY A 129 2.158 10.441 1.845 1.00 31.44 N ATOM 2028 CA GLY A 129 3.212 9.971 2.730 1.00 52.32 C ATOM 2029 C GLY A 129 4.549 10.639 2.493 1.00 50.42 C ATOM 2030 O GLY A 129 4.658 11.558 1.684 1.00 52.43 O ATOM 0 H GLY A 129 2.441 11.163 1.182 1.00 31.44 H new ATOM 0 HA2 GLY A 129 2.909 10.141 3.763 1.00 52.32 H new ATOM 0 HA3 GLY A 129 3.326 8.894 2.604 1.00 52.32 H new ATOM 2034 N LYS A 130 5.567 10.167 3.208 1.00 44.12 N ATOM 2035 CA LYS A 130 6.910 10.727 3.131 1.00 3.31 C ATOM 2036 C LYS A 130 7.632 10.286 1.857 1.00 45.33 C ATOM 2037 O LYS A 130 7.718 9.093 1.555 1.00 13.31 O ATOM 2038 CB LYS A 130 7.716 10.285 4.360 1.00 14.10 C ATOM 2039 CG LYS A 130 9.196 10.631 4.292 1.00 74.20 C ATOM 2040 CD LYS A 130 9.968 10.004 5.436 1.00 13.23 C ATOM 2041 CE LYS A 130 11.463 10.207 5.271 1.00 2.02 C ATOM 2042 NZ LYS A 130 12.244 9.351 6.202 1.00 53.44 N ATOM 0 H LYS A 130 5.482 9.385 3.857 1.00 44.12 H new ATOM 0 HA LYS A 130 6.825 11.813 3.108 1.00 3.31 H new ATOM 0 HB2 LYS A 130 7.286 10.748 5.248 1.00 14.10 H new ATOM 0 HB3 LYS A 130 7.611 9.207 4.481 1.00 14.10 H new ATOM 0 HG2 LYS A 130 9.607 10.287 3.343 1.00 74.20 H new ATOM 0 HG3 LYS A 130 9.319 11.714 4.319 1.00 74.20 H new ATOM 0 HD2 LYS A 130 9.642 10.441 6.380 1.00 13.23 H new ATOM 0 HD3 LYS A 130 9.747 8.938 5.485 1.00 13.23 H new ATOM 0 HE2 LYS A 130 11.749 9.981 4.244 1.00 2.02 H new ATOM 0 HE3 LYS A 130 11.709 11.254 5.448 1.00 2.02 H new ATOM 0 HZ1 LYS A 130 13.217 9.711 6.271 1.00 53.44 H new ATOM 0 HZ2 LYS A 130 11.801 9.368 7.143 1.00 53.44 H new ATOM 0 HZ3 LYS A 130 12.261 8.375 5.844 1.00 53.44 H new ATOM 2056 N ILE A 131 8.175 11.256 1.138 1.00 41.44 N ATOM 2057 CA ILE A 131 8.924 10.985 -0.077 1.00 75.51 C ATOM 2058 C ILE A 131 10.421 11.120 0.192 1.00 1.15 C ATOM 2059 O ILE A 131 10.855 12.035 0.891 1.00 52.14 O ATOM 2060 CB ILE A 131 8.507 11.935 -1.226 1.00 2.40 C ATOM 2061 CG1 ILE A 131 7.028 11.742 -1.563 1.00 11.35 C ATOM 2062 CG2 ILE A 131 9.369 11.706 -2.462 1.00 31.40 C ATOM 2063 CD1 ILE A 131 6.538 12.612 -2.701 1.00 54.24 C ATOM 0 H ILE A 131 8.109 12.245 1.378 1.00 41.44 H new ATOM 0 HA ILE A 131 8.700 9.965 -0.387 1.00 75.51 H new ATOM 0 HB ILE A 131 8.660 12.961 -0.893 1.00 2.40 H new ATOM 0 HG12 ILE A 131 6.858 10.696 -1.819 1.00 11.35 H new ATOM 0 HG13 ILE A 131 6.433 11.954 -0.675 1.00 11.35 H new ATOM 0 HG21 ILE A 131 9.056 12.385 -3.255 1.00 31.40 H new ATOM 0 HG22 ILE A 131 10.414 11.892 -2.216 1.00 31.40 H new ATOM 0 HG23 ILE A 131 9.254 10.676 -2.800 1.00 31.40 H new ATOM 0 HD11 ILE A 131 5.481 12.417 -2.879 1.00 54.24 H new ATOM 0 HD12 ILE A 131 6.674 13.662 -2.441 1.00 54.24 H new ATOM 0 HD13 ILE A 131 7.106 12.385 -3.603 1.00 54.24 H new ATOM 2075 N GLU A 132 11.198 10.193 -0.356 1.00 43.42 N ATOM 2076 CA GLU A 132 12.647 10.214 -0.199 1.00 63.50 C ATOM 2077 C GLU A 132 13.288 11.088 -1.271 1.00 54.12 C ATOM 2078 O GLU A 132 14.064 11.998 -0.968 1.00 63.04 O ATOM 2079 CB GLU A 132 13.230 8.803 -0.286 1.00 10.32 C ATOM 2080 CG GLU A 132 12.683 7.843 0.752 1.00 22.22 C ATOM 2081 CD GLU A 132 13.566 6.627 0.929 1.00 62.14 C ATOM 2082 OE1 GLU A 132 13.676 5.818 -0.013 1.00 52.41 O ATOM 2083 OE2 GLU A 132 14.174 6.482 2.007 1.00 4.43 O ATOM 0 H GLU A 132 10.847 9.415 -0.915 1.00 43.42 H new ATOM 0 HA GLU A 132 12.865 10.627 0.786 1.00 63.50 H new ATOM 0 HB2 GLU A 132 13.031 8.400 -1.279 1.00 10.32 H new ATOM 0 HB3 GLU A 132 14.313 8.861 -0.177 1.00 10.32 H new ATOM 0 HG2 GLU A 132 12.585 8.360 1.706 1.00 22.22 H new ATOM 0 HG3 GLU A 132 11.683 7.524 0.458 1.00 22.22 H new ATOM 2090 N VAL A 133 12.942 10.821 -2.523 1.00 32.14 N ATOM 2091 CA VAL A 133 13.525 11.534 -3.647 1.00 40.12 C ATOM 2092 C VAL A 133 12.577 11.474 -4.846 1.00 51.43 C ATOM 2093 O VAL A 133 11.713 10.595 -4.926 1.00 33.23 O ATOM 2094 CB VAL A 133 14.927 10.964 -4.014 1.00 34.21 C ATOM 2095 CG1 VAL A 133 14.820 9.634 -4.738 1.00 10.14 C ATOM 2096 CG2 VAL A 133 15.730 11.961 -4.838 1.00 33.14 C ATOM 0 H VAL A 133 12.257 10.112 -2.785 1.00 32.14 H new ATOM 0 HA VAL A 133 13.665 12.576 -3.361 1.00 40.12 H new ATOM 0 HB VAL A 133 15.457 10.791 -3.078 1.00 34.21 H new ATOM 0 HG11 VAL A 133 15.819 9.269 -4.977 1.00 10.14 H new ATOM 0 HG12 VAL A 133 14.313 8.911 -4.099 1.00 10.14 H new ATOM 0 HG13 VAL A 133 14.252 9.766 -5.659 1.00 10.14 H new ATOM 0 HG21 VAL A 133 16.704 11.534 -5.078 1.00 33.14 H new ATOM 0 HG22 VAL A 133 15.195 12.185 -5.760 1.00 33.14 H new ATOM 0 HG23 VAL A 133 15.868 12.879 -4.266 1.00 33.14 H new ATOM 2106 N ILE A 134 12.719 12.420 -5.758 1.00 13.21 N ATOM 2107 CA ILE A 134 11.861 12.486 -6.926 1.00 53.11 C ATOM 2108 C ILE A 134 12.677 12.279 -8.189 1.00 20.31 C ATOM 2109 O ILE A 134 13.711 12.917 -8.385 1.00 32.34 O ATOM 2110 CB ILE A 134 11.093 13.828 -7.006 1.00 3.51 C ATOM 2111 CG1 ILE A 134 9.962 13.877 -5.973 1.00 13.41 C ATOM 2112 CG2 ILE A 134 10.531 14.062 -8.402 1.00 65.21 C ATOM 2113 CD1 ILE A 134 10.393 14.348 -4.602 1.00 24.42 C ATOM 0 H ILE A 134 13.424 13.156 -5.711 1.00 13.21 H new ATOM 0 HA ILE A 134 11.124 11.688 -6.834 1.00 53.11 H new ATOM 0 HB ILE A 134 11.805 14.622 -6.783 1.00 3.51 H new ATOM 0 HG12 ILE A 134 9.177 14.538 -6.341 1.00 13.41 H new ATOM 0 HG13 ILE A 134 9.525 12.883 -5.882 1.00 13.41 H new ATOM 0 HG21 ILE A 134 9.998 15.012 -8.425 1.00 65.21 H new ATOM 0 HG22 ILE A 134 11.348 14.087 -9.124 1.00 65.21 H new ATOM 0 HG23 ILE A 134 9.845 13.255 -8.658 1.00 65.21 H new ATOM 0 HD11 ILE A 134 9.533 14.353 -3.932 1.00 24.42 H new ATOM 0 HD12 ILE A 134 11.155 13.675 -4.209 1.00 24.42 H new ATOM 0 HD13 ILE A 134 10.802 15.356 -4.675 1.00 24.42 H new ATOM 2125 N GLU A 135 12.211 11.373 -9.025 1.00 4.34 N ATOM 2126 CA GLU A 135 12.858 11.082 -10.286 1.00 70.02 C ATOM 2127 C GLU A 135 12.093 11.719 -11.448 1.00 41.13 C ATOM 2128 O GLU A 135 11.043 11.230 -11.856 1.00 52.52 O ATOM 2129 CB GLU A 135 12.925 9.565 -10.458 1.00 53.01 C ATOM 2130 CG GLU A 135 13.975 8.902 -9.588 1.00 0.20 C ATOM 2131 CD GLU A 135 14.036 7.402 -9.777 1.00 52.31 C ATOM 2132 OE1 GLU A 135 14.678 6.946 -10.743 1.00 62.32 O ATOM 2133 OE2 GLU A 135 13.467 6.668 -8.944 1.00 15.23 O ATOM 0 H GLU A 135 11.373 10.819 -8.848 1.00 4.34 H new ATOM 0 HA GLU A 135 13.865 11.500 -10.286 1.00 70.02 H new ATOM 0 HB2 GLU A 135 11.950 9.138 -10.225 1.00 53.01 H new ATOM 0 HB3 GLU A 135 13.133 9.335 -11.503 1.00 53.01 H new ATOM 0 HG2 GLU A 135 14.951 9.331 -9.814 1.00 0.20 H new ATOM 0 HG3 GLU A 135 13.765 9.123 -8.542 1.00 0.20 H new ATOM 2140 N ILE A 136 12.618 12.809 -11.983 1.00 4.14 N ATOM 2141 CA ILE A 136 12.020 13.436 -13.156 1.00 45.21 C ATOM 2142 C ILE A 136 12.691 12.887 -14.400 1.00 44.30 C ATOM 2143 O ILE A 136 13.869 13.150 -14.642 1.00 14.52 O ATOM 2144 CB ILE A 136 12.163 14.979 -13.141 1.00 63.35 C ATOM 2145 CG1 ILE A 136 11.574 15.579 -11.856 1.00 62.41 C ATOM 2146 CG2 ILE A 136 11.494 15.591 -14.370 1.00 0.21 C ATOM 2147 CD1 ILE A 136 10.072 15.415 -11.721 1.00 51.44 C ATOM 0 H ILE A 136 13.452 13.278 -11.628 1.00 4.14 H new ATOM 0 HA ILE A 136 10.954 13.206 -13.149 1.00 45.21 H new ATOM 0 HB ILE A 136 13.226 15.217 -13.167 1.00 63.35 H new ATOM 0 HG12 ILE A 136 12.057 15.113 -10.997 1.00 62.41 H new ATOM 0 HG13 ILE A 136 11.816 16.641 -11.821 1.00 62.41 H new ATOM 0 HG21 ILE A 136 11.604 16.675 -14.342 1.00 0.21 H new ATOM 0 HG22 ILE A 136 11.965 15.201 -15.273 1.00 0.21 H new ATOM 0 HG23 ILE A 136 10.435 15.334 -14.373 1.00 0.21 H new ATOM 0 HD11 ILE A 136 9.739 15.866 -10.786 1.00 51.44 H new ATOM 0 HD12 ILE A 136 9.576 15.906 -12.558 1.00 51.44 H new ATOM 0 HD13 ILE A 136 9.820 14.354 -11.721 1.00 51.44 H new ATOM 2159 N MET A 137 11.957 12.137 -15.200 1.00 41.33 N ATOM 2160 CA MET A 137 12.560 11.457 -16.326 1.00 75.33 C ATOM 2161 C MET A 137 12.602 12.384 -17.526 1.00 52.33 C ATOM 2162 O MET A 137 11.565 12.826 -18.021 1.00 72.23 O ATOM 2163 CB MET A 137 11.797 10.173 -16.653 1.00 43.03 C ATOM 2164 CG MET A 137 11.625 9.245 -15.459 1.00 54.31 C ATOM 2165 SD MET A 137 13.167 8.925 -14.584 1.00 52.35 S ATOM 2166 CE MET A 137 14.137 8.147 -15.870 1.00 62.43 C ATOM 0 H MET A 137 10.954 11.985 -15.092 1.00 41.33 H new ATOM 0 HA MET A 137 13.581 11.180 -16.065 1.00 75.33 H new ATOM 0 HB2 MET A 137 10.814 10.434 -17.044 1.00 43.03 H new ATOM 0 HB3 MET A 137 12.323 9.639 -17.444 1.00 43.03 H new ATOM 0 HG2 MET A 137 10.906 9.683 -14.767 1.00 54.31 H new ATOM 0 HG3 MET A 137 11.204 8.299 -15.800 1.00 54.31 H new ATOM 0 HE1 MET A 137 15.064 7.763 -15.445 1.00 62.43 H new ATOM 0 HE2 MET A 137 13.570 7.325 -16.306 1.00 62.43 H new ATOM 0 HE3 MET A 137 14.369 8.879 -16.644 1.00 62.43 H new ATOM 2176 N THR A 138 13.805 12.682 -17.976 1.00 63.44 N ATOM 2177 CA THR A 138 14.008 13.617 -19.064 1.00 62.43 C ATOM 2178 C THR A 138 14.979 13.050 -20.087 1.00 33.20 C ATOM 2179 O THR A 138 15.744 12.131 -19.792 1.00 3.35 O ATOM 2180 CB THR A 138 14.538 14.967 -18.540 1.00 13.31 C ATOM 2181 OG1 THR A 138 15.287 14.759 -17.336 1.00 43.11 O ATOM 2182 CG2 THR A 138 13.396 15.937 -18.274 1.00 63.11 C ATOM 0 H THR A 138 14.666 12.285 -17.599 1.00 63.44 H new ATOM 0 HA THR A 138 13.043 13.781 -19.543 1.00 62.43 H new ATOM 0 HB THR A 138 15.184 15.400 -19.303 1.00 13.31 H new ATOM 0 HG1 THR A 138 15.623 15.619 -17.007 1.00 43.11 H new ATOM 0 HG21 THR A 138 13.798 16.881 -17.905 1.00 63.11 H new ATOM 0 HG22 THR A 138 12.846 16.114 -19.198 1.00 63.11 H new ATOM 0 HG23 THR A 138 12.725 15.513 -17.528 1.00 63.11 H new ATOM 2319 N GLY A 147 8.015 11.420 -20.981 1.00 32.13 N ATOM 2320 CA GLY A 147 6.621 11.048 -21.080 1.00 14.11 C ATOM 2321 C GLY A 147 6.104 10.498 -19.775 1.00 24.12 C ATOM 2322 O GLY A 147 4.929 10.146 -19.658 1.00 34.14 O ATOM 0 HA2 GLY A 147 6.031 11.917 -21.369 1.00 14.11 H new ATOM 0 HA3 GLY A 147 6.497 10.302 -21.865 1.00 14.11 H new ATOM 2326 N PHE A 148 6.988 10.431 -18.786 1.00 53.43 N ATOM 2327 CA PHE A 148 6.655 9.892 -17.487 1.00 70.41 C ATOM 2328 C PHE A 148 7.664 10.374 -16.451 1.00 41.44 C ATOM 2329 O PHE A 148 8.705 10.940 -16.797 1.00 12.30 O ATOM 2330 CB PHE A 148 6.618 8.353 -17.523 1.00 21.15 C ATOM 2331 CG PHE A 148 7.828 7.707 -18.149 1.00 60.03 C ATOM 2332 CD1 PHE A 148 8.976 7.480 -17.408 1.00 25.12 C ATOM 2333 CD2 PHE A 148 7.809 7.320 -19.479 1.00 31.02 C ATOM 2334 CE1 PHE A 148 10.082 6.884 -17.984 1.00 11.25 C ATOM 2335 CE2 PHE A 148 8.912 6.725 -20.060 1.00 75.22 C ATOM 2336 CZ PHE A 148 10.049 6.506 -19.311 1.00 15.14 C ATOM 0 H PHE A 148 7.953 10.750 -18.869 1.00 53.43 H new ATOM 0 HA PHE A 148 5.662 10.247 -17.210 1.00 70.41 H new ATOM 0 HB2 PHE A 148 6.512 7.982 -16.504 1.00 21.15 H new ATOM 0 HB3 PHE A 148 5.730 8.037 -18.071 1.00 21.15 H new ATOM 0 HD1 PHE A 148 9.007 7.772 -16.369 1.00 25.12 H new ATOM 0 HD2 PHE A 148 6.920 7.486 -20.069 1.00 31.02 H new ATOM 0 HE1 PHE A 148 10.972 6.714 -17.396 1.00 11.25 H new ATOM 0 HE2 PHE A 148 8.884 6.432 -21.099 1.00 75.22 H new ATOM 0 HZ PHE A 148 10.912 6.039 -19.762 1.00 15.14 H new ATOM 2346 N ALA A 149 7.337 10.154 -15.195 1.00 61.34 N ATOM 2347 CA ALA A 149 8.206 10.475 -14.084 1.00 54.24 C ATOM 2348 C ALA A 149 8.140 9.351 -13.055 1.00 52.00 C ATOM 2349 O ALA A 149 7.293 8.460 -13.153 1.00 44.02 O ATOM 2350 CB ALA A 149 7.808 11.813 -13.468 1.00 34.43 C ATOM 0 H ALA A 149 6.448 9.741 -14.914 1.00 61.34 H new ATOM 0 HA ALA A 149 9.233 10.568 -14.436 1.00 54.24 H new ATOM 0 HB1 ALA A 149 8.471 12.041 -12.633 1.00 34.43 H new ATOM 0 HB2 ALA A 149 7.888 12.598 -14.220 1.00 34.43 H new ATOM 0 HB3 ALA A 149 6.780 11.757 -13.110 1.00 34.43 H new ATOM 2356 N PHE A 150 9.032 9.388 -12.085 1.00 14.21 N ATOM 2357 CA PHE A 150 9.076 8.380 -11.041 1.00 14.34 C ATOM 2358 C PHE A 150 9.177 9.044 -9.674 1.00 52.14 C ATOM 2359 O PHE A 150 9.795 10.091 -9.522 1.00 1.50 O ATOM 2360 CB PHE A 150 10.255 7.425 -11.251 1.00 73.32 C ATOM 2361 CG PHE A 150 10.019 6.374 -12.297 1.00 70.25 C ATOM 2362 CD1 PHE A 150 9.259 5.255 -12.012 1.00 25.21 C ATOM 2363 CD2 PHE A 150 10.563 6.503 -13.563 1.00 34.31 C ATOM 2364 CE1 PHE A 150 9.045 4.283 -12.971 1.00 2.05 C ATOM 2365 CE2 PHE A 150 10.354 5.536 -14.525 1.00 44.23 C ATOM 2366 CZ PHE A 150 9.592 4.424 -14.229 1.00 72.43 C ATOM 0 H PHE A 150 9.744 10.113 -11.997 1.00 14.21 H new ATOM 0 HA PHE A 150 8.154 7.800 -11.088 1.00 14.34 H new ATOM 0 HB2 PHE A 150 11.134 8.007 -11.529 1.00 73.32 H new ATOM 0 HB3 PHE A 150 10.483 6.935 -10.305 1.00 73.32 H new ATOM 0 HD1 PHE A 150 8.828 5.139 -11.029 1.00 25.21 H new ATOM 0 HD2 PHE A 150 11.159 7.372 -13.801 1.00 34.31 H new ATOM 0 HE1 PHE A 150 8.450 3.413 -12.735 1.00 2.05 H new ATOM 0 HE2 PHE A 150 10.786 5.649 -15.508 1.00 44.23 H new ATOM 0 HZ PHE A 150 9.425 3.667 -14.980 1.00 72.43 H new ATOM 2376 N VAL A 151 8.542 8.447 -8.687 1.00 55.21 N ATOM 2377 CA VAL A 151 8.546 8.995 -7.337 1.00 34.03 C ATOM 2378 C VAL A 151 8.957 7.925 -6.334 1.00 21.21 C ATOM 2379 O VAL A 151 8.432 6.811 -6.350 1.00 14.21 O ATOM 2380 CB VAL A 151 7.165 9.580 -6.947 1.00 11.24 C ATOM 2381 CG1 VAL A 151 7.234 10.291 -5.604 1.00 42.23 C ATOM 2382 CG2 VAL A 151 6.656 10.526 -8.020 1.00 64.21 C ATOM 0 H VAL A 151 8.014 7.580 -8.790 1.00 55.21 H new ATOM 0 HA VAL A 151 9.271 9.809 -7.318 1.00 34.03 H new ATOM 0 HB VAL A 151 6.465 8.749 -6.859 1.00 11.24 H new ATOM 0 HG11 VAL A 151 6.252 10.692 -5.354 1.00 42.23 H new ATOM 0 HG12 VAL A 151 7.544 9.585 -4.834 1.00 42.23 H new ATOM 0 HG13 VAL A 151 7.955 11.106 -5.661 1.00 42.23 H new ATOM 0 HG21 VAL A 151 5.685 10.924 -7.724 1.00 64.21 H new ATOM 0 HG22 VAL A 151 7.362 11.347 -8.146 1.00 64.21 H new ATOM 0 HG23 VAL A 151 6.555 9.987 -8.962 1.00 64.21 H new ATOM 2392 N THR A 152 9.909 8.269 -5.476 1.00 24.33 N ATOM 2393 CA THR A 152 10.438 7.342 -4.490 1.00 20.11 C ATOM 2394 C THR A 152 9.924 7.680 -3.092 1.00 14.14 C ATOM 2395 O THR A 152 10.168 8.769 -2.580 1.00 14.44 O ATOM 2396 CB THR A 152 11.976 7.388 -4.484 1.00 60.00 C ATOM 2397 OG1 THR A 152 12.486 7.029 -5.772 1.00 31.13 O ATOM 2398 CG2 THR A 152 12.550 6.465 -3.425 1.00 71.20 C ATOM 0 H THR A 152 10.334 9.196 -5.446 1.00 24.33 H new ATOM 0 HA THR A 152 10.102 6.341 -4.761 1.00 20.11 H new ATOM 0 HB THR A 152 12.280 8.408 -4.248 1.00 60.00 H new ATOM 0 HG1 THR A 152 13.465 7.063 -5.757 1.00 31.13 H new ATOM 0 HG21 THR A 152 13.638 6.520 -3.446 1.00 71.20 H new ATOM 0 HG22 THR A 152 12.190 6.770 -2.442 1.00 71.20 H new ATOM 0 HG23 THR A 152 12.234 5.441 -3.625 1.00 71.20 H new ATOM 2406 N PHE A 153 9.238 6.737 -2.471 1.00 3.43 N ATOM 2407 CA PHE A 153 8.682 6.933 -1.142 1.00 55.44 C ATOM 2408 C PHE A 153 9.519 6.223 -0.091 1.00 34.22 C ATOM 2409 O PHE A 153 10.290 5.316 -0.403 1.00 1.32 O ATOM 2410 CB PHE A 153 7.251 6.414 -1.085 1.00 63.34 C ATOM 2411 CG PHE A 153 6.222 7.452 -1.402 1.00 10.01 C ATOM 2412 CD1 PHE A 153 5.917 7.777 -2.712 1.00 5.32 C ATOM 2413 CD2 PHE A 153 5.554 8.099 -0.381 1.00 61.10 C ATOM 2414 CE1 PHE A 153 4.960 8.730 -2.992 1.00 63.13 C ATOM 2415 CE2 PHE A 153 4.601 9.051 -0.655 1.00 12.24 C ATOM 2416 CZ PHE A 153 4.302 9.368 -1.959 1.00 62.41 C ATOM 0 H PHE A 153 9.051 5.817 -2.871 1.00 3.43 H new ATOM 0 HA PHE A 153 8.689 8.003 -0.932 1.00 55.44 H new ATOM 0 HB2 PHE A 153 7.146 5.585 -1.785 1.00 63.34 H new ATOM 0 HB3 PHE A 153 7.058 6.016 -0.089 1.00 63.34 H new ATOM 0 HD1 PHE A 153 6.432 7.281 -3.521 1.00 5.32 H new ATOM 0 HD2 PHE A 153 5.783 7.854 0.646 1.00 61.10 H new ATOM 0 HE1 PHE A 153 4.726 8.977 -4.017 1.00 63.13 H new ATOM 0 HE2 PHE A 153 4.087 9.550 0.154 1.00 12.24 H new ATOM 0 HZ PHE A 153 3.553 10.115 -2.175 1.00 62.41 H new ATOM 2426 N ASP A 154 9.358 6.649 1.152 1.00 62.43 N ATOM 2427 CA ASP A 154 10.057 6.041 2.280 1.00 1.05 C ATOM 2428 C ASP A 154 9.367 4.749 2.706 1.00 71.51 C ATOM 2429 O ASP A 154 10.010 3.802 3.163 1.00 40.33 O ATOM 2430 CB ASP A 154 10.100 7.035 3.447 1.00 14.14 C ATOM 2431 CG ASP A 154 10.812 6.499 4.677 1.00 54.32 C ATOM 2432 OD1 ASP A 154 10.166 5.822 5.499 1.00 4.21 O ATOM 2433 OD2 ASP A 154 12.013 6.788 4.843 1.00 41.23 O ATOM 0 H ASP A 154 8.743 7.421 1.410 1.00 62.43 H new ATOM 0 HA ASP A 154 11.075 5.796 1.978 1.00 1.05 H new ATOM 0 HB2 ASP A 154 10.598 7.947 3.118 1.00 14.14 H new ATOM 0 HB3 ASP A 154 9.080 7.308 3.718 1.00 14.14 H new ATOM 2438 N ASP A 155 8.054 4.713 2.526 1.00 52.45 N ATOM 2439 CA ASP A 155 7.257 3.571 2.946 1.00 74.42 C ATOM 2440 C ASP A 155 6.371 3.080 1.806 1.00 54.34 C ATOM 2441 O ASP A 155 6.047 3.840 0.892 1.00 53.20 O ATOM 2442 CB ASP A 155 6.399 3.945 4.155 1.00 73.13 C ATOM 2443 CG ASP A 155 6.060 2.745 5.006 1.00 54.01 C ATOM 2444 OD1 ASP A 155 5.265 1.905 4.562 1.00 41.31 O ATOM 2445 OD2 ASP A 155 6.609 2.622 6.118 1.00 60.31 O ATOM 0 H ASP A 155 7.518 5.464 2.091 1.00 52.45 H new ATOM 0 HA ASP A 155 7.934 2.764 3.226 1.00 74.42 H new ATOM 0 HB2 ASP A 155 6.929 4.680 4.761 1.00 73.13 H new ATOM 0 HB3 ASP A 155 5.478 4.418 3.813 1.00 73.13 H new ATOM 2450 N HIS A 156 5.985 1.807 1.864 1.00 50.20 N ATOM 2451 CA HIS A 156 5.106 1.224 0.858 1.00 0.04 C ATOM 2452 C HIS A 156 3.665 1.666 1.102 1.00 65.12 C ATOM 2453 O HIS A 156 2.881 1.774 0.166 1.00 22.42 O ATOM 2454 CB HIS A 156 5.200 -0.320 0.845 1.00 25.14 C ATOM 2455 CG HIS A 156 4.854 -0.983 2.152 1.00 75.30 C ATOM 2456 ND1 HIS A 156 5.657 -1.630 3.020 1.00 33.22 N flip ATOM 2457 CD2 HIS A 156 3.575 -0.990 2.646 1.00 41.45 C flip ATOM 2458 CE1 HIS A 156 4.876 -2.043 4.060 1.00 4.24 C flip ATOM 2459 NE2 HIS A 156 3.636 -1.635 3.791 1.00 41.24 N flip ATOM 0 H HIS A 156 6.269 1.160 2.600 1.00 50.20 H new ATOM 0 HA HIS A 156 5.431 1.582 -0.119 1.00 0.04 H new ATOM 0 HB2 HIS A 156 4.535 -0.704 0.071 1.00 25.14 H new ATOM 0 HB3 HIS A 156 6.214 -0.606 0.565 1.00 25.14 H new ATOM 0 HD1 HIS A 156 6.660 -1.782 2.918 1.00 33.22 H new ATOM 0 HD2 HIS A 156 2.698 -0.556 2.189 1.00 41.45 H new ATOM 0 HE1 HIS A 156 5.200 -2.593 4.931 1.00 4.24 H new ATOM 2467 N ASP A 157 3.353 1.938 2.378 1.00 15.40 N ATOM 2468 CA ASP A 157 2.017 2.355 2.816 1.00 62.35 C ATOM 2469 C ASP A 157 1.453 3.470 1.949 1.00 14.50 C ATOM 2470 O ASP A 157 0.321 3.389 1.467 1.00 53.40 O ATOM 2471 CB ASP A 157 2.077 2.802 4.293 1.00 12.22 C ATOM 2472 CG ASP A 157 1.247 4.046 4.599 1.00 43.15 C ATOM 2473 OD1 ASP A 157 0.030 3.917 4.847 1.00 3.15 O ATOM 2474 OD2 ASP A 157 1.816 5.162 4.587 1.00 23.21 O ATOM 0 H ASP A 157 4.028 1.873 3.140 1.00 15.40 H new ATOM 0 HA ASP A 157 1.347 1.501 2.715 1.00 62.35 H new ATOM 0 HB2 ASP A 157 1.732 1.983 4.924 1.00 12.22 H new ATOM 0 HB3 ASP A 157 3.116 2.995 4.562 1.00 12.22 H new ATOM 2479 N SER A 158 2.264 4.488 1.726 1.00 63.12 N ATOM 2480 CA SER A 158 1.838 5.658 0.999 1.00 65.52 C ATOM 2481 C SER A 158 1.740 5.368 -0.495 1.00 13.34 C ATOM 2482 O SER A 158 0.920 5.958 -1.194 1.00 24.31 O ATOM 2483 CB SER A 158 2.823 6.778 1.273 1.00 30.50 C ATOM 2484 OG SER A 158 3.224 6.765 2.636 1.00 45.22 O ATOM 0 H SER A 158 3.232 4.522 2.045 1.00 63.12 H new ATOM 0 HA SER A 158 0.843 5.955 1.332 1.00 65.52 H new ATOM 0 HB2 SER A 158 3.696 6.668 0.630 1.00 30.50 H new ATOM 0 HB3 SER A 158 2.368 7.738 1.031 1.00 30.50 H new ATOM 0 HG SER A 158 2.554 6.289 3.170 1.00 45.22 H new ATOM 2490 N VAL A 159 2.543 4.416 -0.960 1.00 52.04 N ATOM 2491 CA VAL A 159 2.551 4.026 -2.359 1.00 12.25 C ATOM 2492 C VAL A 159 1.304 3.217 -2.680 1.00 13.41 C ATOM 2493 O VAL A 159 0.666 3.422 -3.714 1.00 63.44 O ATOM 2494 CB VAL A 159 3.831 3.222 -2.699 1.00 72.23 C ATOM 2495 CG1 VAL A 159 3.651 2.334 -3.926 1.00 33.24 C ATOM 2496 CG2 VAL A 159 4.988 4.177 -2.908 1.00 65.11 C ATOM 0 H VAL A 159 3.202 3.898 -0.379 1.00 52.04 H new ATOM 0 HA VAL A 159 2.550 4.927 -2.972 1.00 12.25 H new ATOM 0 HB VAL A 159 4.041 2.562 -1.857 1.00 72.23 H new ATOM 0 HG11 VAL A 159 4.576 1.792 -4.122 1.00 33.24 H new ATOM 0 HG12 VAL A 159 2.845 1.623 -3.745 1.00 33.24 H new ATOM 0 HG13 VAL A 159 3.403 2.952 -4.789 1.00 33.24 H new ATOM 0 HG21 VAL A 159 5.888 3.611 -3.147 1.00 65.11 H new ATOM 0 HG22 VAL A 159 4.756 4.855 -3.730 1.00 65.11 H new ATOM 0 HG23 VAL A 159 5.153 4.753 -1.998 1.00 65.11 H new ATOM 2506 N ASP A 160 0.941 2.329 -1.764 1.00 24.33 N ATOM 2507 CA ASP A 160 -0.230 1.490 -1.941 1.00 53.22 C ATOM 2508 C ASP A 160 -1.516 2.316 -1.846 1.00 35.43 C ATOM 2509 O ASP A 160 -2.546 1.928 -2.389 1.00 52.41 O ATOM 2510 CB ASP A 160 -0.223 0.337 -0.939 1.00 33.11 C ATOM 2511 CG ASP A 160 0.731 -0.770 -1.346 1.00 54.31 C ATOM 2512 OD1 ASP A 160 0.354 -1.598 -2.197 1.00 63.40 O ATOM 2513 OD2 ASP A 160 1.872 -0.804 -0.844 1.00 21.04 O ATOM 0 H ASP A 160 1.444 2.173 -0.890 1.00 24.33 H new ATOM 0 HA ASP A 160 -0.196 1.058 -2.941 1.00 53.22 H new ATOM 0 HB2 ASP A 160 0.059 0.714 0.044 1.00 33.11 H new ATOM 0 HB3 ASP A 160 -1.230 -0.069 -0.848 1.00 33.11 H new ATOM 2518 N LYS A 161 -1.444 3.470 -1.170 1.00 12.03 N ATOM 2519 CA LYS A 161 -2.548 4.443 -1.175 1.00 45.23 C ATOM 2520 C LYS A 161 -2.747 5.013 -2.574 1.00 53.22 C ATOM 2521 O LYS A 161 -3.871 5.165 -3.056 1.00 51.44 O ATOM 2522 CB LYS A 161 -2.264 5.629 -0.246 1.00 45.42 C ATOM 2523 CG LYS A 161 -2.109 5.290 1.221 1.00 44.11 C ATOM 2524 CD LYS A 161 -1.843 6.554 2.027 1.00 50.11 C ATOM 2525 CE LYS A 161 -1.427 6.242 3.451 1.00 34.11 C ATOM 2526 NZ LYS A 161 -1.255 7.472 4.269 1.00 52.12 N ATOM 0 H LYS A 161 -0.637 3.753 -0.614 1.00 12.03 H new ATOM 0 HA LYS A 161 -3.434 3.907 -0.835 1.00 45.23 H new ATOM 0 HB2 LYS A 161 -1.353 6.122 -0.584 1.00 45.42 H new ATOM 0 HB3 LYS A 161 -3.074 6.351 -0.350 1.00 45.42 H new ATOM 0 HG2 LYS A 161 -3.012 4.800 1.586 1.00 44.11 H new ATOM 0 HG3 LYS A 161 -1.288 4.585 1.354 1.00 44.11 H new ATOM 0 HD2 LYS A 161 -1.061 7.137 1.540 1.00 50.11 H new ATOM 0 HD3 LYS A 161 -2.741 7.172 2.039 1.00 50.11 H new ATOM 0 HE2 LYS A 161 -2.177 5.601 3.915 1.00 34.11 H new ATOM 0 HE3 LYS A 161 -0.492 5.682 3.440 1.00 34.11 H new ATOM 0 HZ1 LYS A 161 -0.811 7.226 5.176 1.00 52.12 H new ATOM 0 HZ2 LYS A 161 -0.650 8.147 3.759 1.00 52.12 H new ATOM 0 HZ3 LYS A 161 -2.184 7.905 4.445 1.00 52.12 H new ATOM 2540 N ILE A 162 -1.629 5.325 -3.206 1.00 33.44 N ATOM 2541 CA ILE A 162 -1.611 6.024 -4.480 1.00 11.20 C ATOM 2542 C ILE A 162 -2.050 5.122 -5.626 1.00 30.33 C ATOM 2543 O ILE A 162 -2.809 5.542 -6.494 1.00 1.13 O ATOM 2544 CB ILE A 162 -0.203 6.596 -4.747 1.00 3.43 C ATOM 2545 CG1 ILE A 162 0.015 7.814 -3.862 1.00 44.20 C ATOM 2546 CG2 ILE A 162 0.000 6.948 -6.214 1.00 65.33 C ATOM 2547 CD1 ILE A 162 1.451 8.016 -3.466 1.00 54.23 C ATOM 0 H ILE A 162 -0.701 5.099 -2.847 1.00 33.44 H new ATOM 0 HA ILE A 162 -2.326 6.845 -4.423 1.00 11.20 H new ATOM 0 HB ILE A 162 0.534 5.830 -4.505 1.00 3.43 H new ATOM 0 HG12 ILE A 162 -0.338 8.702 -4.386 1.00 44.20 H new ATOM 0 HG13 ILE A 162 -0.591 7.713 -2.962 1.00 44.20 H new ATOM 0 HG21 ILE A 162 1.004 7.347 -6.357 1.00 65.33 H new ATOM 0 HG22 ILE A 162 -0.125 6.053 -6.824 1.00 65.33 H new ATOM 0 HG23 ILE A 162 -0.734 7.696 -6.514 1.00 65.33 H new ATOM 0 HD11 ILE A 162 1.534 8.902 -2.836 1.00 54.23 H new ATOM 0 HD12 ILE A 162 1.802 7.144 -2.914 1.00 54.23 H new ATOM 0 HD13 ILE A 162 2.060 8.149 -4.360 1.00 54.23 H new ATOM 2559 N VAL A 163 -1.633 3.868 -5.592 1.00 33.02 N ATOM 2560 CA VAL A 163 -1.921 2.948 -6.688 1.00 54.44 C ATOM 2561 C VAL A 163 -3.372 2.468 -6.635 1.00 24.43 C ATOM 2562 O VAL A 163 -3.849 1.803 -7.548 1.00 14.21 O ATOM 2563 CB VAL A 163 -0.971 1.736 -6.683 1.00 5.44 C ATOM 2564 CG1 VAL A 163 0.473 2.205 -6.726 1.00 63.12 C ATOM 2565 CG2 VAL A 163 -1.222 0.863 -5.467 1.00 10.34 C ATOM 0 H VAL A 163 -1.097 3.462 -4.825 1.00 33.02 H new ATOM 0 HA VAL A 163 -1.763 3.501 -7.614 1.00 54.44 H new ATOM 0 HB VAL A 163 -1.165 1.135 -7.571 1.00 5.44 H new ATOM 0 HG11 VAL A 163 1.137 1.340 -6.722 1.00 63.12 H new ATOM 0 HG12 VAL A 163 0.640 2.786 -7.633 1.00 63.12 H new ATOM 0 HG13 VAL A 163 0.680 2.825 -5.854 1.00 63.12 H new ATOM 0 HG21 VAL A 163 -0.540 0.012 -5.483 1.00 10.34 H new ATOM 0 HG22 VAL A 163 -1.055 1.445 -4.561 1.00 10.34 H new ATOM 0 HG23 VAL A 163 -2.251 0.504 -5.483 1.00 10.34 H new ATOM 2575 N ILE A 164 -4.058 2.807 -5.544 1.00 71.35 N ATOM 2576 CA ILE A 164 -5.490 2.575 -5.418 1.00 32.01 C ATOM 2577 C ILE A 164 -6.244 3.407 -6.455 1.00 62.45 C ATOM 2578 O ILE A 164 -7.255 2.978 -7.014 1.00 63.34 O ATOM 2579 CB ILE A 164 -5.972 2.917 -3.985 1.00 43.02 C ATOM 2580 CG1 ILE A 164 -5.677 1.743 -3.052 1.00 33.51 C ATOM 2581 CG2 ILE A 164 -7.453 3.280 -3.951 1.00 25.24 C ATOM 2582 CD1 ILE A 164 -5.988 2.026 -1.596 1.00 50.25 C ATOM 0 H ILE A 164 -3.635 3.248 -4.727 1.00 71.35 H new ATOM 0 HA ILE A 164 -5.695 1.520 -5.600 1.00 32.01 H new ATOM 0 HB ILE A 164 -5.425 3.796 -3.644 1.00 43.02 H new ATOM 0 HG12 ILE A 164 -6.257 0.879 -3.376 1.00 33.51 H new ATOM 0 HG13 ILE A 164 -4.625 1.474 -3.143 1.00 33.51 H new ATOM 0 HG21 ILE A 164 -7.747 3.512 -2.927 1.00 25.24 H new ATOM 0 HG22 ILE A 164 -7.629 4.149 -4.585 1.00 25.24 H new ATOM 0 HG23 ILE A 164 -8.042 2.439 -4.316 1.00 25.24 H new ATOM 0 HD11 ILE A 164 -5.753 1.147 -0.996 1.00 50.25 H new ATOM 0 HD12 ILE A 164 -5.389 2.870 -1.253 1.00 50.25 H new ATOM 0 HD13 ILE A 164 -7.046 2.265 -1.490 1.00 50.25 H new ATOM 2594 N GLN A 165 -5.715 4.580 -6.738 1.00 33.55 N ATOM 2595 CA GLN A 165 -6.276 5.440 -7.752 1.00 12.32 C ATOM 2596 C GLN A 165 -5.321 5.451 -8.931 1.00 2.24 C ATOM 2597 O GLN A 165 -4.323 6.159 -8.917 1.00 35.13 O ATOM 2598 CB GLN A 165 -6.485 6.851 -7.204 1.00 71.12 C ATOM 2599 CG GLN A 165 -7.229 6.877 -5.878 1.00 62.52 C ATOM 2600 CD GLN A 165 -7.398 8.277 -5.321 1.00 55.20 C ATOM 2601 OE1 GLN A 165 -7.474 9.253 -6.065 1.00 21.22 O ATOM 2602 NE2 GLN A 165 -7.452 8.382 -4.005 1.00 43.30 N ATOM 0 H GLN A 165 -4.890 4.959 -6.274 1.00 33.55 H new ATOM 0 HA GLN A 165 -7.252 5.069 -8.067 1.00 12.32 H new ATOM 0 HB2 GLN A 165 -5.515 7.332 -7.078 1.00 71.12 H new ATOM 0 HB3 GLN A 165 -7.039 7.439 -7.935 1.00 71.12 H new ATOM 0 HG2 GLN A 165 -8.211 6.423 -6.010 1.00 62.52 H new ATOM 0 HG3 GLN A 165 -6.690 6.266 -5.153 1.00 62.52 H new ATOM 0 HE21 GLN A 165 -7.385 7.547 -3.424 1.00 43.30 H new ATOM 0 HE22 GLN A 165 -7.561 9.298 -3.571 1.00 43.30 H new ATOM 2611 N LYS A 166 -5.617 4.620 -9.919 1.00 51.22 N ATOM 2612 CA LYS A 166 -4.727 4.397 -11.059 1.00 51.41 C ATOM 2613 C LYS A 166 -4.386 5.688 -11.795 1.00 22.25 C ATOM 2614 O LYS A 166 -3.319 5.814 -12.382 1.00 41.02 O ATOM 2615 CB LYS A 166 -5.372 3.406 -12.018 1.00 44.02 C ATOM 2616 CG LYS A 166 -4.481 2.999 -13.174 1.00 53.31 C ATOM 2617 CD LYS A 166 -5.025 1.772 -13.865 1.00 1.24 C ATOM 2618 CE LYS A 166 -4.908 0.547 -12.971 1.00 52.22 C ATOM 2619 NZ LYS A 166 -5.138 -0.720 -13.709 1.00 31.33 N ATOM 0 H LYS A 166 -6.481 4.079 -9.957 1.00 51.22 H new ATOM 0 HA LYS A 166 -3.791 3.994 -10.673 1.00 51.41 H new ATOM 0 HB2 LYS A 166 -5.660 2.513 -11.463 1.00 44.02 H new ATOM 0 HB3 LYS A 166 -6.288 3.844 -12.415 1.00 44.02 H new ATOM 0 HG2 LYS A 166 -4.405 3.820 -13.887 1.00 53.31 H new ATOM 0 HG3 LYS A 166 -3.473 2.800 -12.809 1.00 53.31 H new ATOM 0 HD2 LYS A 166 -6.069 1.933 -14.132 1.00 1.24 H new ATOM 0 HD3 LYS A 166 -4.481 1.602 -14.794 1.00 1.24 H new ATOM 0 HE2 LYS A 166 -3.917 0.525 -12.518 1.00 52.22 H new ATOM 0 HE3 LYS A 166 -5.629 0.625 -12.157 1.00 52.22 H new ATOM 0 HZ1 LYS A 166 -5.216 -1.506 -13.033 1.00 31.33 H new ATOM 0 HZ2 LYS A 166 -6.018 -0.647 -14.258 1.00 31.33 H new ATOM 0 HZ3 LYS A 166 -4.341 -0.896 -14.354 1.00 31.33 H new ATOM 2633 N TYR A 167 -5.300 6.631 -11.785 1.00 74.51 N ATOM 2634 CA TYR A 167 -5.037 7.930 -12.375 1.00 1.54 C ATOM 2635 C TYR A 167 -5.224 9.034 -11.341 1.00 44.33 C ATOM 2636 O TYR A 167 -6.203 9.036 -10.596 1.00 21.11 O ATOM 2637 CB TYR A 167 -5.963 8.174 -13.570 1.00 32.32 C ATOM 2638 CG TYR A 167 -5.743 7.230 -14.734 1.00 54.34 C ATOM 2639 CD1 TYR A 167 -6.268 5.942 -14.729 1.00 12.15 C ATOM 2640 CD2 TYR A 167 -5.013 7.631 -15.842 1.00 64.31 C ATOM 2641 CE1 TYR A 167 -6.067 5.084 -15.791 1.00 24.54 C ATOM 2642 CE2 TYR A 167 -4.809 6.779 -16.908 1.00 21.22 C ATOM 2643 CZ TYR A 167 -5.337 5.507 -16.877 1.00 23.44 C ATOM 2644 OH TYR A 167 -5.137 4.657 -17.938 1.00 24.24 O ATOM 0 H TYR A 167 -6.229 6.527 -11.378 1.00 74.51 H new ATOM 0 HA TYR A 167 -4.004 7.943 -12.722 1.00 1.54 H new ATOM 0 HB2 TYR A 167 -6.997 8.086 -13.237 1.00 32.32 H new ATOM 0 HB3 TYR A 167 -5.826 9.198 -13.917 1.00 32.32 H new ATOM 0 HD1 TYR A 167 -6.843 5.607 -13.879 1.00 12.15 H new ATOM 0 HD2 TYR A 167 -4.597 8.627 -15.871 1.00 64.31 H new ATOM 0 HE1 TYR A 167 -6.480 4.086 -15.769 1.00 24.54 H new ATOM 0 HE2 TYR A 167 -4.238 7.108 -17.763 1.00 21.22 H new ATOM 0 HH TYR A 167 -4.189 4.412 -17.987 1.00 24.24 H new ATOM 2654 N HIS A 168 -4.281 9.964 -11.308 1.00 53.42 N ATOM 2655 CA HIS A 168 -4.346 11.115 -10.411 1.00 11.43 C ATOM 2656 C HIS A 168 -4.207 12.394 -11.215 1.00 10.01 C ATOM 2657 O HIS A 168 -3.577 12.400 -12.268 1.00 1.11 O ATOM 2658 CB HIS A 168 -3.226 11.084 -9.364 1.00 74.35 C ATOM 2659 CG HIS A 168 -3.356 10.013 -8.331 1.00 41.30 C ATOM 2660 ND1 HIS A 168 -4.074 10.192 -7.177 1.00 51.54 N ATOM 2661 CD2 HIS A 168 -2.815 8.788 -8.323 1.00 11.15 C ATOM 2662 CE1 HIS A 168 -3.945 9.066 -6.500 1.00 20.13 C ATOM 2663 NE2 HIS A 168 -3.190 8.187 -7.157 1.00 23.25 N ATOM 0 H HIS A 168 -3.450 9.945 -11.899 1.00 53.42 H new ATOM 0 HA HIS A 168 -5.308 11.076 -9.899 1.00 11.43 H new ATOM 0 HB2 HIS A 168 -2.273 10.959 -9.877 1.00 74.35 H new ATOM 0 HB3 HIS A 168 -3.193 12.051 -8.861 1.00 74.35 H new ATOM 0 HD2 HIS A 168 -2.197 8.356 -9.096 1.00 11.15 H new ATOM 0 HE1 HIS A 168 -4.395 8.881 -5.536 1.00 20.13 H new ATOM 0 HE2 HIS A 168 -2.941 7.247 -6.848 1.00 23.25 H new ATOM 2671 N THR A 169 -4.772 13.473 -10.720 1.00 24.22 N ATOM 2672 CA THR A 169 -4.633 14.752 -11.385 1.00 70.22 C ATOM 2673 C THR A 169 -3.591 15.600 -10.672 1.00 64.21 C ATOM 2674 O THR A 169 -3.823 16.104 -9.575 1.00 32.44 O ATOM 2675 CB THR A 169 -5.977 15.496 -11.468 1.00 31.11 C ATOM 2676 OG1 THR A 169 -6.960 14.638 -12.064 1.00 73.31 O ATOM 2677 CG2 THR A 169 -5.849 16.770 -12.291 1.00 62.01 C ATOM 0 H THR A 169 -5.329 13.492 -9.865 1.00 24.22 H new ATOM 0 HA THR A 169 -4.301 14.567 -12.406 1.00 70.22 H new ATOM 0 HB THR A 169 -6.282 15.770 -10.458 1.00 31.11 H new ATOM 0 HG1 THR A 169 -7.817 15.110 -12.116 1.00 73.31 H new ATOM 0 HG21 THR A 169 -6.814 17.275 -12.332 1.00 62.01 H new ATOM 0 HG22 THR A 169 -5.114 17.429 -11.829 1.00 62.01 H new ATOM 0 HG23 THR A 169 -5.527 16.519 -13.302 1.00 62.01 H new ATOM 2685 N VAL A 170 -2.427 15.720 -11.296 1.00 75.00 N ATOM 2686 CA VAL A 170 -1.326 16.494 -10.746 1.00 3.35 C ATOM 2687 C VAL A 170 -1.058 17.697 -11.639 1.00 41.13 C ATOM 2688 O VAL A 170 -1.053 17.564 -12.862 1.00 73.21 O ATOM 2689 CB VAL A 170 -0.028 15.653 -10.641 1.00 72.44 C ATOM 2690 CG1 VAL A 170 1.014 16.361 -9.789 1.00 1.42 C ATOM 2691 CG2 VAL A 170 -0.313 14.262 -10.090 1.00 21.13 C ATOM 0 H VAL A 170 -2.221 15.284 -12.195 1.00 75.00 H new ATOM 0 HA VAL A 170 -1.612 16.812 -9.743 1.00 3.35 H new ATOM 0 HB VAL A 170 0.372 15.541 -11.649 1.00 72.44 H new ATOM 0 HG11 VAL A 170 1.914 15.749 -9.732 1.00 1.42 H new ATOM 0 HG12 VAL A 170 1.258 17.324 -10.238 1.00 1.42 H new ATOM 0 HG13 VAL A 170 0.618 16.518 -8.786 1.00 1.42 H new ATOM 0 HG21 VAL A 170 0.617 13.697 -10.029 1.00 21.13 H new ATOM 0 HG22 VAL A 170 -0.752 14.347 -9.096 1.00 21.13 H new ATOM 0 HG23 VAL A 170 -1.009 13.744 -10.751 1.00 21.13 H new ATOM 2701 N ASN A 171 -0.812 18.857 -11.025 1.00 22.23 N ATOM 2702 CA ASN A 171 -0.565 20.112 -11.751 1.00 2.13 C ATOM 2703 C ASN A 171 -1.631 20.392 -12.830 1.00 55.23 C ATOM 2704 O ASN A 171 -1.343 20.947 -13.895 1.00 11.50 O ATOM 2705 CB ASN A 171 0.853 20.079 -12.346 1.00 3.22 C ATOM 2706 CG ASN A 171 1.347 21.442 -12.787 1.00 63.42 C ATOM 2707 OD1 ASN A 171 0.885 22.476 -12.308 1.00 13.11 O ATOM 2708 ND2 ASN A 171 2.307 21.451 -13.694 1.00 14.41 N ATOM 0 H ASN A 171 -0.778 18.956 -10.010 1.00 22.23 H new ATOM 0 HA ASN A 171 -0.640 20.938 -11.044 1.00 2.13 H new ATOM 0 HB2 ASN A 171 1.541 19.672 -11.605 1.00 3.22 H new ATOM 0 HB3 ASN A 171 0.866 19.401 -13.200 1.00 3.22 H new ATOM 0 HD21 ASN A 171 2.691 22.337 -14.021 1.00 14.41 H new ATOM 0 HD22 ASN A 171 2.664 20.572 -14.067 1.00 14.41 H new ATOM 2715 N GLY A 172 -2.874 20.030 -12.528 1.00 0.03 N ATOM 2716 CA GLY A 172 -3.976 20.294 -13.435 1.00 23.03 C ATOM 2717 C GLY A 172 -4.103 19.290 -14.565 1.00 62.43 C ATOM 2718 O GLY A 172 -4.937 19.468 -15.454 1.00 40.21 O ATOM 0 H GLY A 172 -3.139 19.555 -11.665 1.00 0.03 H new ATOM 0 HA2 GLY A 172 -4.906 20.304 -12.866 1.00 23.03 H new ATOM 0 HA3 GLY A 172 -3.852 21.290 -13.860 1.00 23.03 H new ATOM 2722 N HIS A 173 -3.290 18.241 -14.545 1.00 12.53 N ATOM 2723 CA HIS A 173 -3.316 17.238 -15.603 1.00 65.33 C ATOM 2724 C HIS A 173 -3.422 15.834 -15.031 1.00 72.44 C ATOM 2725 O HIS A 173 -2.727 15.485 -14.081 1.00 32.33 O ATOM 2726 CB HIS A 173 -2.072 17.350 -16.489 1.00 63.03 C ATOM 2727 CG HIS A 173 -2.190 18.401 -17.547 1.00 45.44 C ATOM 2728 ND1 HIS A 173 -2.310 18.070 -18.871 1.00 34.20 N ATOM 2729 CD2 HIS A 173 -2.208 19.748 -17.425 1.00 62.40 C ATOM 2730 CE1 HIS A 173 -2.401 19.215 -19.524 1.00 14.42 C ATOM 2731 NE2 HIS A 173 -2.344 20.258 -18.689 1.00 44.13 N ATOM 0 H HIS A 173 -2.606 18.063 -13.810 1.00 12.53 H new ATOM 0 HA HIS A 173 -4.200 17.427 -16.212 1.00 65.33 H new ATOM 0 HB2 HIS A 173 -1.207 17.571 -15.863 1.00 63.03 H new ATOM 0 HB3 HIS A 173 -1.885 16.387 -16.963 1.00 63.03 H new ATOM 0 HD2 HIS A 173 -2.130 20.313 -16.508 1.00 62.40 H new ATOM 0 HE1 HIS A 173 -2.508 19.298 -20.595 1.00 14.42 H new ATOM 0 HE2 HIS A 173 -2.393 21.244 -18.944 1.00 44.13 H new ATOM 2739 N ASN A 174 -4.300 15.037 -15.612 1.00 44.53 N ATOM 2740 CA ASN A 174 -4.513 13.674 -15.151 1.00 12.41 C ATOM 2741 C ASN A 174 -3.443 12.741 -15.704 1.00 40.44 C ATOM 2742 O ASN A 174 -3.368 12.504 -16.909 1.00 2.24 O ATOM 2743 CB ASN A 174 -5.906 13.191 -15.551 1.00 4.33 C ATOM 2744 CG ASN A 174 -6.262 11.866 -14.912 1.00 72.24 C ATOM 2745 OD1 ASN A 174 -6.037 10.804 -15.492 1.00 73.41 O ATOM 2746 ND2 ASN A 174 -6.813 11.919 -13.708 1.00 10.54 N ATOM 0 H ASN A 174 -4.879 15.309 -16.406 1.00 44.53 H new ATOM 0 HA ASN A 174 -4.440 13.664 -14.063 1.00 12.41 H new ATOM 0 HB2 ASN A 174 -6.644 13.940 -15.263 1.00 4.33 H new ATOM 0 HB3 ASN A 174 -5.956 13.094 -16.635 1.00 4.33 H new ATOM 0 HD21 ASN A 174 -7.068 11.057 -13.226 1.00 10.54 H new ATOM 0 HD22 ASN A 174 -6.982 12.821 -13.264 1.00 10.54 H new ATOM 2753 N CYS A 175 -2.603 12.241 -14.813 1.00 14.40 N ATOM 2754 CA CYS A 175 -1.537 11.322 -15.172 1.00 15.02 C ATOM 2755 C CYS A 175 -1.834 9.927 -14.629 1.00 10.21 C ATOM 2756 O CYS A 175 -2.584 9.778 -13.665 1.00 62.32 O ATOM 2757 CB CYS A 175 -0.214 11.828 -14.601 1.00 31.33 C ATOM 2758 SG CYS A 175 0.062 13.596 -14.860 1.00 63.42 S ATOM 0 H CYS A 175 -2.642 12.462 -13.818 1.00 14.40 H new ATOM 0 HA CYS A 175 -1.468 11.266 -16.258 1.00 15.02 H new ATOM 0 HB2 CYS A 175 -0.186 11.618 -13.532 1.00 31.33 H new ATOM 0 HB3 CYS A 175 0.605 11.271 -15.057 1.00 31.33 H new ATOM 0 HG CYS A 175 -1.017 14.253 -14.554 1.00 63.42 H new ATOM 2764 N GLU A 176 -1.250 8.917 -15.254 1.00 50.53 N ATOM 2765 CA GLU A 176 -1.421 7.539 -14.819 1.00 20.03 C ATOM 2766 C GLU A 176 -0.355 7.170 -13.795 1.00 32.24 C ATOM 2767 O GLU A 176 0.800 7.565 -13.925 1.00 64.31 O ATOM 2768 CB GLU A 176 -1.332 6.588 -16.015 1.00 41.14 C ATOM 2769 CG GLU A 176 -1.711 5.155 -15.686 1.00 1.24 C ATOM 2770 CD GLU A 176 -1.299 4.182 -16.768 1.00 71.15 C ATOM 2771 OE1 GLU A 176 -1.975 4.126 -17.813 1.00 54.13 O ATOM 2772 OE2 GLU A 176 -0.295 3.464 -16.578 1.00 54.41 O ATOM 0 H GLU A 176 -0.649 9.027 -16.071 1.00 50.53 H new ATOM 0 HA GLU A 176 -2.405 7.445 -14.360 1.00 20.03 H new ATOM 0 HB2 GLU A 176 -1.984 6.954 -16.808 1.00 41.14 H new ATOM 0 HB3 GLU A 176 -0.315 6.605 -16.406 1.00 41.14 H new ATOM 0 HG2 GLU A 176 -1.243 4.866 -14.745 1.00 1.24 H new ATOM 0 HG3 GLU A 176 -2.789 5.093 -15.538 1.00 1.24 H new ATOM 2779 N VAL A 177 -0.747 6.413 -12.789 1.00 62.14 N ATOM 2780 CA VAL A 177 0.184 5.963 -11.769 1.00 51.12 C ATOM 2781 C VAL A 177 0.062 4.459 -11.542 1.00 2.21 C ATOM 2782 O VAL A 177 -0.927 3.833 -11.942 1.00 34.55 O ATOM 2783 CB VAL A 177 0.015 6.704 -10.420 1.00 12.12 C ATOM 2784 CG1 VAL A 177 -0.076 8.211 -10.613 1.00 4.00 C ATOM 2785 CG2 VAL A 177 -1.177 6.174 -9.646 1.00 73.22 C ATOM 0 H VAL A 177 -1.707 6.095 -12.655 1.00 62.14 H new ATOM 0 HA VAL A 177 1.178 6.199 -12.149 1.00 51.12 H new ATOM 0 HB VAL A 177 0.909 6.507 -9.828 1.00 12.12 H new ATOM 0 HG11 VAL A 177 -0.194 8.695 -9.644 1.00 4.00 H new ATOM 0 HG12 VAL A 177 0.835 8.572 -11.091 1.00 4.00 H new ATOM 0 HG13 VAL A 177 -0.934 8.446 -11.243 1.00 4.00 H new ATOM 0 HG21 VAL A 177 -1.269 6.715 -8.704 1.00 73.22 H new ATOM 0 HG22 VAL A 177 -2.084 6.314 -10.234 1.00 73.22 H new ATOM 0 HG23 VAL A 177 -1.036 5.112 -9.443 1.00 73.22 H new ATOM 2795 N ARG A 178 1.088 3.901 -10.905 1.00 0.03 N ATOM 2796 CA ARG A 178 1.130 2.468 -10.595 1.00 32.14 C ATOM 2797 C ARG A 178 2.346 2.108 -9.751 1.00 2.03 C ATOM 2798 O ARG A 178 3.203 2.951 -9.489 1.00 14.10 O ATOM 2799 CB ARG A 178 1.126 1.639 -11.883 1.00 35.14 C ATOM 2800 CG ARG A 178 2.452 1.611 -12.617 1.00 3.42 C ATOM 2801 CD ARG A 178 2.271 1.111 -14.033 1.00 35.02 C ATOM 2802 NE ARG A 178 3.535 1.034 -14.753 1.00 52.51 N ATOM 2803 CZ ARG A 178 3.656 1.225 -16.065 1.00 21.32 C ATOM 2804 NH1 ARG A 178 2.587 1.506 -16.807 1.00 13.33 N ATOM 2805 NH2 ARG A 178 4.849 1.150 -16.633 1.00 71.03 N ATOM 0 H ARG A 178 1.908 4.420 -10.590 1.00 0.03 H new ATOM 0 HA ARG A 178 0.237 2.236 -10.015 1.00 32.14 H new ATOM 0 HB2 ARG A 178 0.838 0.616 -11.641 1.00 35.14 H new ATOM 0 HB3 ARG A 178 0.363 2.035 -12.553 1.00 35.14 H new ATOM 0 HG2 ARG A 178 2.886 2.611 -12.632 1.00 3.42 H new ATOM 0 HG3 ARG A 178 3.153 0.967 -12.086 1.00 3.42 H new ATOM 0 HD2 ARG A 178 1.806 0.126 -14.012 1.00 35.02 H new ATOM 0 HD3 ARG A 178 1.590 1.774 -14.567 1.00 35.02 H new ATOM 0 HE ARG A 178 4.378 0.821 -14.220 1.00 52.51 H new ATOM 0 HH11 ARG A 178 1.668 1.576 -16.371 1.00 13.33 H new ATOM 0 HH12 ARG A 178 2.687 1.651 -17.812 1.00 13.33 H new ATOM 0 HH21 ARG A 178 5.672 0.946 -16.066 1.00 71.03 H new ATOM 0 HH22 ARG A 178 4.945 1.296 -17.638 1.00 71.03 H new ATOM 2819 N LYS A 179 2.407 0.845 -9.337 1.00 75.00 N ATOM 2820 CA LYS A 179 3.560 0.315 -8.622 1.00 3.12 C ATOM 2821 C LYS A 179 4.759 0.260 -9.560 1.00 75.23 C ATOM 2822 O LYS A 179 4.700 -0.367 -10.617 1.00 2.31 O ATOM 2823 CB LYS A 179 3.256 -1.096 -8.099 1.00 64.33 C ATOM 2824 CG LYS A 179 2.010 -1.186 -7.229 1.00 22.11 C ATOM 2825 CD LYS A 179 2.278 -0.797 -5.783 1.00 22.31 C ATOM 2826 CE LYS A 179 2.831 -1.963 -4.987 1.00 22.35 C ATOM 2827 NZ LYS A 179 2.770 -1.713 -3.522 1.00 31.23 N ATOM 0 H LYS A 179 1.662 0.165 -9.488 1.00 75.00 H new ATOM 0 HA LYS A 179 3.783 0.967 -7.777 1.00 3.12 H new ATOM 0 HB2 LYS A 179 3.141 -1.769 -8.949 1.00 64.33 H new ATOM 0 HB3 LYS A 179 4.112 -1.451 -7.525 1.00 64.33 H new ATOM 0 HG2 LYS A 179 1.237 -0.536 -7.639 1.00 22.11 H new ATOM 0 HG3 LYS A 179 1.621 -2.204 -7.262 1.00 22.11 H new ATOM 0 HD2 LYS A 179 2.984 0.033 -5.753 1.00 22.31 H new ATOM 0 HD3 LYS A 179 1.355 -0.446 -5.322 1.00 22.31 H new ATOM 0 HE2 LYS A 179 2.267 -2.865 -5.225 1.00 22.35 H new ATOM 0 HE3 LYS A 179 3.864 -2.146 -5.281 1.00 22.35 H new ATOM 0 HZ1 LYS A 179 3.414 -2.366 -3.031 1.00 31.23 H new ATOM 0 HZ2 LYS A 179 3.055 -0.732 -3.325 1.00 31.23 H new ATOM 0 HZ3 LYS A 179 1.798 -1.866 -3.184 1.00 31.23 H new ATOM 2841 N ALA A 180 5.833 0.922 -9.182 1.00 11.01 N ATOM 2842 CA ALA A 180 7.037 0.927 -9.988 1.00 53.30 C ATOM 2843 C ALA A 180 8.148 0.184 -9.281 1.00 41.41 C ATOM 2844 O ALA A 180 8.218 0.163 -8.052 1.00 53.24 O ATOM 2845 CB ALA A 180 7.474 2.345 -10.297 1.00 61.31 C ATOM 0 H ALA A 180 5.897 1.464 -8.321 1.00 11.01 H new ATOM 0 HA ALA A 180 6.817 0.422 -10.928 1.00 53.30 H new ATOM 0 HB1 ALA A 180 8.380 2.323 -10.903 1.00 61.31 H new ATOM 0 HB2 ALA A 180 6.684 2.858 -10.845 1.00 61.31 H new ATOM 0 HB3 ALA A 180 7.673 2.875 -9.366 1.00 61.31 H new ATOM 2851 N LEU A 181 9.007 -0.431 -10.062 1.00 31.21 N ATOM 2852 CA LEU A 181 10.135 -1.163 -9.528 1.00 2.13 C ATOM 2853 C LEU A 181 11.415 -0.588 -10.109 1.00 63.11 C ATOM 2854 O LEU A 181 11.380 0.084 -11.141 1.00 44.32 O ATOM 2855 CB LEU A 181 10.022 -2.650 -9.884 1.00 40.33 C ATOM 2856 CG LEU A 181 8.620 -3.260 -9.780 1.00 52.41 C ATOM 2857 CD1 LEU A 181 8.600 -4.637 -10.413 1.00 42.11 C ATOM 2858 CD2 LEU A 181 8.169 -3.343 -8.331 1.00 30.04 C ATOM 0 H LEU A 181 8.945 -0.439 -11.080 1.00 31.21 H new ATOM 0 HA LEU A 181 10.147 -1.069 -8.442 1.00 2.13 H new ATOM 0 HB2 LEU A 181 10.382 -2.788 -10.904 1.00 40.33 H new ATOM 0 HB3 LEU A 181 10.690 -3.211 -9.231 1.00 40.33 H new ATOM 0 HG LEU A 181 7.927 -2.612 -10.316 1.00 52.41 H new ATOM 0 HD11 LEU A 181 7.599 -5.060 -10.333 1.00 42.11 H new ATOM 0 HD12 LEU A 181 8.877 -4.558 -11.464 1.00 42.11 H new ATOM 0 HD13 LEU A 181 9.310 -5.285 -9.898 1.00 42.11 H new ATOM 0 HD21 LEU A 181 7.171 -3.779 -8.285 1.00 30.04 H new ATOM 0 HD22 LEU A 181 8.864 -3.967 -7.769 1.00 30.04 H new ATOM 0 HD23 LEU A 181 8.148 -2.343 -7.899 1.00 30.04 H new