USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 117 TYR OH : rot -108:sc= -0.136 USER MOD Set 1.2: A 119 CYS SG : rot 113:sc= -1.29 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.602 K(o=-1.5,f=-2.7) USER MOD Set 2.2: A 55 GLN : amide:sc= -0.883 K(o=-1.5,f=-4.7!) USER MOD Set 3.1: A 40 ASN : amide:sc= 0.0508 K(o=-0.11,f=-4.3!) USER MOD Set 3.2: A 51 THR OG1 : rot -83:sc= -0.162 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.986 K(o=-0.99,f=-0.06) USER MOD Single : A 35 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-4.9!) USER MOD Single : A 37 CYS SG : rot -118:sc= 0.329 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0279 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -0.171 (180deg=-1.29) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.0674 (180deg=0.00905) USER MOD Single : A 56 ASN : amide:sc= 0.26 K(o=0.26,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.641 (180deg=0.592) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -168:sc= -2.58! (180deg=-3.04!) USER MOD Single : A 68 THR OG1 : rot 150:sc= 0.00158 USER MOD Single : A 71 THR OG1 : rot -23:sc= 0.123 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 100:sc= -1.24 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -110:sc= -1.06 (180deg=-3.26!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 120 ASN : amide:sc= -2.74! K(o=-2.7!,f=-0.68) USER MOD Single : A 122 GLN : amide:sc= -0.83 K(o=-0.83,f=-1.6) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 106:sc= 0.943 USER MOD Single : A 128 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -8.92! C(o=-8.9!,f=-11!) USER MOD Single : A 133 TYR OH : rot 180:sc=-0.00506 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 0.277 13.876 -12.506 1.00 0.00 N ATOM 118 CA SER A 12 0.285 12.482 -12.079 1.00 0.00 C ATOM 119 C SER A 12 1.040 12.320 -10.763 1.00 0.00 C ATOM 120 O SER A 12 1.689 13.252 -10.288 1.00 0.00 O ATOM 121 CB SER A 12 0.920 11.600 -13.156 1.00 0.00 C ATOM 122 OG SER A 12 -0.015 11.284 -14.173 1.00 0.00 O ATOM 0 HA SER A 12 -0.748 12.170 -11.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.777 12.113 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.295 10.682 -12.704 1.00 0.00 H new ATOM 0 HG SER A 12 0.416 10.721 -14.850 1.00 0.00 H new ATOM 128 N PHE A 13 0.950 11.130 -10.179 1.00 0.00 N ATOM 129 CA PHE A 13 1.623 10.845 -8.917 1.00 0.00 C ATOM 130 C PHE A 13 2.396 9.532 -8.998 1.00 0.00 C ATOM 131 O PHE A 13 2.251 8.770 -9.954 1.00 0.00 O ATOM 132 CB PHE A 13 0.606 10.781 -7.775 1.00 0.00 C ATOM 133 CG PHE A 13 -0.198 12.040 -7.618 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.318 12.265 -8.403 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.165 12.998 -6.685 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.059 13.423 -8.261 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.573 14.158 -6.538 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.687 14.370 -7.327 1.00 0.00 C ATOM 0 H PHE A 13 0.418 10.347 -10.559 1.00 0.00 H new ATOM 0 HA PHE A 13 2.330 11.651 -8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.072 9.946 -7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.131 10.576 -6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.615 11.527 -9.134 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.035 12.837 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.929 13.587 -8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.279 14.897 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.266 15.275 -7.214 1.00 0.00 H new ATOM 148 N VAL A 14 3.220 9.274 -7.987 1.00 0.00 N ATOM 149 CA VAL A 14 4.017 8.054 -7.942 1.00 0.00 C ATOM 150 C VAL A 14 4.259 7.608 -6.504 1.00 0.00 C ATOM 151 O VAL A 14 3.791 8.244 -5.558 1.00 0.00 O ATOM 152 CB VAL A 14 5.374 8.244 -8.644 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.172 8.637 -10.100 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.210 9.284 -7.914 1.00 0.00 C ATOM 0 H VAL A 14 3.353 9.894 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 14 3.449 7.286 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 14 5.912 7.296 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.142 8.767 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.615 7.854 -10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.614 9.572 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.166 9.406 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.680 10.236 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.385 8.956 -6.889 1.00 0.00 H new ATOM 164 N LEU A 15 4.992 6.512 -6.346 1.00 0.00 N ATOM 165 CA LEU A 15 5.297 5.980 -5.023 1.00 0.00 C ATOM 166 C LEU A 15 6.772 6.177 -4.684 1.00 0.00 C ATOM 167 O LEU A 15 7.648 5.915 -5.507 1.00 0.00 O ATOM 168 CB LEU A 15 4.940 4.494 -4.953 1.00 0.00 C ATOM 169 CG LEU A 15 3.528 4.122 -5.407 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.502 2.707 -5.964 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.544 4.262 -4.255 1.00 0.00 C ATOM 0 H LEU A 15 5.386 5.974 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 15 4.699 6.525 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.654 3.940 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.070 4.157 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 15 3.229 4.808 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.489 2.460 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.177 2.639 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.821 2.006 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.544 3.993 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.840 3.600 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.542 5.293 -3.902 1.00 0.00 H new ATOM 183 N ASP A 16 7.037 6.637 -3.466 1.00 0.00 N ATOM 184 CA ASP A 16 8.406 6.865 -3.017 1.00 0.00 C ATOM 185 C ASP A 16 8.946 5.644 -2.280 1.00 0.00 C ATOM 186 O ASP A 16 9.797 5.764 -1.398 1.00 0.00 O ATOM 187 CB ASP A 16 8.468 8.094 -2.108 1.00 0.00 C ATOM 188 CG ASP A 16 9.887 8.584 -1.895 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.390 9.336 -2.756 1.00 0.00 O ATOM 190 OD2 ASP A 16 10.494 8.216 -0.867 1.00 0.00 O ATOM 0 H ASP A 16 6.323 6.859 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 16 9.027 7.040 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.871 8.895 -2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.021 7.852 -1.144 1.00 0.00 H new ATOM 195 N PHE A 17 8.446 4.468 -2.646 1.00 0.00 N ATOM 196 CA PHE A 17 8.877 3.225 -2.019 1.00 0.00 C ATOM 197 C PHE A 17 8.819 2.067 -3.010 1.00 0.00 C ATOM 198 O PHE A 17 7.913 1.990 -3.840 1.00 0.00 O ATOM 199 CB PHE A 17 8.004 2.913 -0.802 1.00 0.00 C ATOM 200 CG PHE A 17 6.538 2.839 -1.119 1.00 0.00 C ATOM 201 CD1 PHE A 17 6.010 1.731 -1.763 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.687 3.877 -0.775 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.661 1.659 -2.057 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.337 3.810 -1.065 1.00 0.00 C ATOM 205 CZ PHE A 17 3.824 2.701 -1.708 1.00 0.00 C ATOM 0 H PHE A 17 7.742 4.350 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 17 9.910 3.351 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.322 1.964 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.165 3.679 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.660 0.914 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.083 4.748 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.262 0.790 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.684 4.625 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.770 2.648 -1.938 1.00 0.00 H new ATOM 215 N SER A 18 9.793 1.167 -2.918 1.00 0.00 N ATOM 216 CA SER A 18 9.857 0.014 -3.809 1.00 0.00 C ATOM 217 C SER A 18 8.838 -1.045 -3.400 1.00 0.00 C ATOM 218 O SER A 18 8.527 -1.199 -2.219 1.00 0.00 O ATOM 219 CB SER A 18 11.264 -0.586 -3.802 1.00 0.00 C ATOM 220 OG SER A 18 12.193 0.286 -4.423 1.00 0.00 O ATOM 0 H SER A 18 10.549 1.214 -2.235 1.00 0.00 H new ATOM 0 HA SER A 18 9.620 0.352 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.574 -0.782 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.257 -1.544 -4.321 1.00 0.00 H new ATOM 0 HG SER A 18 13.085 -0.119 -4.404 1.00 0.00 H new ATOM 226 N GLN A 19 8.322 -1.772 -4.385 1.00 0.00 N ATOM 227 CA GLN A 19 7.338 -2.817 -4.129 1.00 0.00 C ATOM 228 C GLN A 19 7.862 -3.819 -3.106 1.00 0.00 C ATOM 229 O GLN A 19 9.032 -4.201 -3.118 1.00 0.00 O ATOM 230 CB GLN A 19 6.977 -3.538 -5.429 1.00 0.00 C ATOM 231 CG GLN A 19 6.528 -2.602 -6.539 1.00 0.00 C ATOM 232 CD GLN A 19 5.061 -2.236 -6.436 1.00 0.00 C ATOM 233 OE1 GLN A 19 4.186 -3.018 -6.812 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.782 -1.043 -5.925 1.00 0.00 N ATOM 0 H GLN A 19 8.569 -1.657 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 19 6.443 -2.346 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.842 -4.106 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.183 -4.257 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.128 -1.693 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.714 -3.073 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.538 -0.427 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.812 -0.743 -5.831 1.00 0.00 H new ATOM 243 N PRO A 20 6.977 -4.257 -2.198 1.00 0.00 N ATOM 244 CA PRO A 20 7.327 -5.221 -1.151 1.00 0.00 C ATOM 245 C PRO A 20 7.590 -6.615 -1.711 1.00 0.00 C ATOM 246 O PRO A 20 8.585 -7.254 -1.369 1.00 0.00 O ATOM 247 CB PRO A 20 6.090 -5.231 -0.249 1.00 0.00 C ATOM 248 CG PRO A 20 4.971 -4.811 -1.138 1.00 0.00 C ATOM 249 CD PRO A 20 5.565 -3.844 -2.124 1.00 0.00 C ATOM 0 HA PRO A 20 8.246 -4.945 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.913 -6.222 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.207 -4.546 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.535 -5.670 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.172 -4.342 -0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.076 -3.909 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.465 -2.813 -1.786 1.00 0.00 H new ATOM 257 N SER A 21 6.691 -7.080 -2.572 1.00 0.00 N ATOM 258 CA SER A 21 6.824 -8.401 -3.177 1.00 0.00 C ATOM 259 C SER A 21 8.245 -8.623 -3.688 1.00 0.00 C ATOM 260 O SER A 21 8.793 -9.719 -3.571 1.00 0.00 O ATOM 261 CB SER A 21 5.826 -8.562 -4.325 1.00 0.00 C ATOM 262 OG SER A 21 6.099 -9.731 -5.078 1.00 0.00 O ATOM 0 H SER A 21 5.863 -6.562 -2.867 1.00 0.00 H new ATOM 0 HA SER A 21 6.610 -9.148 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.813 -8.611 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.871 -7.688 -4.975 1.00 0.00 H new ATOM 0 HG SER A 21 5.446 -9.812 -5.805 1.00 0.00 H new ATOM 268 N ALA A 22 8.834 -7.576 -4.254 1.00 0.00 N ATOM 269 CA ALA A 22 10.191 -7.655 -4.781 1.00 0.00 C ATOM 270 C ALA A 22 11.050 -8.597 -3.945 1.00 0.00 C ATOM 271 O ALA A 22 11.763 -9.444 -4.484 1.00 0.00 O ATOM 272 CB ALA A 22 10.819 -6.270 -4.833 1.00 0.00 C ATOM 0 H ALA A 22 8.393 -6.662 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 22 10.139 -8.056 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.832 -6.344 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.224 -5.625 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.852 -5.847 -3.829 1.00 0.00 H new ATOM 278 N ASP A 23 10.978 -8.443 -2.628 1.00 0.00 N ATOM 279 CA ASP A 23 11.750 -9.281 -1.717 1.00 0.00 C ATOM 280 C ASP A 23 10.880 -10.387 -1.128 1.00 0.00 C ATOM 281 O ASP A 23 10.105 -10.154 -0.200 1.00 0.00 O ATOM 282 CB ASP A 23 12.349 -8.433 -0.594 1.00 0.00 C ATOM 283 CG ASP A 23 13.421 -7.484 -1.094 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.042 -7.786 -2.134 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.637 -6.440 -0.444 1.00 0.00 O ATOM 0 H ASP A 23 10.393 -7.746 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 23 12.559 -9.742 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.556 -7.860 -0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.774 -9.089 0.166 1.00 0.00 H new ATOM 290 N TYR A 24 11.014 -11.591 -1.673 1.00 0.00 N ATOM 291 CA TYR A 24 10.238 -12.733 -1.203 1.00 0.00 C ATOM 292 C TYR A 24 10.501 -12.999 0.276 1.00 0.00 C ATOM 293 O TYR A 24 9.585 -13.323 1.033 1.00 0.00 O ATOM 294 CB TYR A 24 10.576 -13.978 -2.025 1.00 0.00 C ATOM 295 CG TYR A 24 9.744 -15.187 -1.662 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.483 -15.379 -2.214 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.217 -16.137 -0.766 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.719 -16.482 -1.884 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.461 -17.244 -0.432 1.00 0.00 C ATOM 300 CZ TYR A 24 8.212 -17.411 -0.993 1.00 0.00 C ATOM 301 OH TYR A 24 7.455 -18.512 -0.662 1.00 0.00 O ATOM 0 H TYR A 24 11.652 -11.802 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 24 9.181 -12.499 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.435 -13.754 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.630 -14.218 -1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.094 -14.654 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.193 -16.008 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.741 -16.616 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.846 -17.974 0.264 1.00 0.00 H new ATOM 0 HH TYR A 24 7.948 -19.068 -0.023 1.00 0.00 H new ATOM 311 N LEU A 25 11.758 -12.859 0.681 1.00 0.00 N ATOM 312 CA LEU A 25 12.144 -13.083 2.070 1.00 0.00 C ATOM 313 C LEU A 25 11.630 -11.961 2.966 1.00 0.00 C ATOM 314 O LEU A 25 10.737 -12.169 3.788 1.00 0.00 O ATOM 315 CB LEU A 25 13.665 -13.188 2.186 1.00 0.00 C ATOM 316 CG LEU A 25 14.255 -14.591 2.035 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.673 -15.530 3.080 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.003 -15.127 0.634 1.00 0.00 C ATOM 0 H LEU A 25 12.528 -12.591 0.067 1.00 0.00 H new ATOM 0 HA LEU A 25 11.695 -14.020 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.112 -12.544 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.963 -12.793 3.157 1.00 0.00 H new ATOM 0 HG LEU A 25 15.332 -14.530 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.104 -16.523 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.905 -15.154 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.591 -15.586 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.430 -16.126 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.930 -15.173 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.469 -14.467 -0.097 1.00 0.00 H new ATOM 330 N ASP A 26 12.197 -10.772 2.799 1.00 0.00 N ATOM 331 CA ASP A 26 11.793 -9.615 3.591 1.00 0.00 C ATOM 332 C ASP A 26 10.275 -9.466 3.601 1.00 0.00 C ATOM 333 O ASP A 26 9.709 -8.839 4.496 1.00 0.00 O ATOM 334 CB ASP A 26 12.439 -8.343 3.039 1.00 0.00 C ATOM 335 CG ASP A 26 12.073 -7.112 3.845 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.732 -7.262 5.037 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.129 -5.998 3.284 1.00 0.00 O ATOM 0 H ASP A 26 12.937 -10.583 2.123 1.00 0.00 H new ATOM 0 HA ASP A 26 12.131 -9.771 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.522 -8.462 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.129 -8.201 2.004 1.00 0.00 H new ATOM 342 N PHE A 27 9.622 -10.047 2.600 1.00 0.00 N ATOM 343 CA PHE A 27 8.170 -9.977 2.492 1.00 0.00 C ATOM 344 C PHE A 27 7.509 -11.065 3.334 1.00 0.00 C ATOM 345 O PHE A 27 6.752 -10.775 4.260 1.00 0.00 O ATOM 346 CB PHE A 27 7.738 -10.114 1.031 1.00 0.00 C ATOM 347 CG PHE A 27 6.252 -10.251 0.855 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.622 -11.461 1.095 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.487 -9.170 0.449 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.255 -11.591 0.934 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.120 -9.294 0.287 1.00 0.00 C ATOM 352 CZ PHE A 27 3.504 -10.506 0.529 1.00 0.00 C ATOM 0 H PHE A 27 10.076 -10.572 1.852 1.00 0.00 H new ATOM 0 HA PHE A 27 7.849 -9.006 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.083 -9.242 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.229 -10.984 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.205 -12.313 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.964 -8.220 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.776 -12.540 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.534 -8.444 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.436 -10.605 0.402 1.00 0.00 H new ATOM 362 N ARG A 28 7.801 -12.319 3.003 1.00 0.00 N ATOM 363 CA ARG A 28 7.235 -13.452 3.726 1.00 0.00 C ATOM 364 C ARG A 28 7.381 -13.262 5.233 1.00 0.00 C ATOM 365 O ARG A 28 6.530 -13.697 6.008 1.00 0.00 O ATOM 366 CB ARG A 28 7.918 -14.751 3.296 1.00 0.00 C ATOM 367 CG ARG A 28 9.182 -15.064 4.080 1.00 0.00 C ATOM 368 CD ARG A 28 9.690 -16.465 3.781 1.00 0.00 C ATOM 369 NE ARG A 28 10.677 -16.910 4.761 1.00 0.00 N ATOM 370 CZ ARG A 28 10.961 -18.187 4.991 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.337 -19.141 4.314 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.872 -18.512 5.899 1.00 0.00 N ATOM 0 H ARG A 28 8.426 -12.576 2.239 1.00 0.00 H new ATOM 0 HA ARG A 28 6.173 -13.511 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.215 -15.576 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.164 -14.688 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.954 -14.335 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.983 -14.968 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.851 -17.160 3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.133 -16.485 2.785 1.00 0.00 H new ATOM 0 HE ARG A 28 11.176 -16.201 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.637 -18.895 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.557 -20.121 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.355 -17.781 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.089 -19.493 6.075 1.00 0.00 H new ATOM 386 N ASN A 29 8.466 -12.612 5.640 1.00 0.00 N ATOM 387 CA ASN A 29 8.724 -12.366 7.054 1.00 0.00 C ATOM 388 C ASN A 29 7.568 -11.603 7.694 1.00 0.00 C ATOM 389 O ASN A 29 7.167 -11.895 8.821 1.00 0.00 O ATOM 390 CB ASN A 29 10.026 -11.580 7.227 1.00 0.00 C ATOM 391 CG ASN A 29 11.253 -12.466 7.131 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.394 -13.434 7.877 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.149 -12.136 6.208 1.00 0.00 N ATOM 0 H ASN A 29 9.181 -12.246 5.011 1.00 0.00 H new ATOM 0 HA ASN A 29 8.820 -13.330 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.082 -10.803 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.018 -11.078 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.995 -12.694 6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.991 -11.324 5.611 1.00 0.00 H new ATOM 400 N ARG A 30 7.036 -10.627 6.967 1.00 0.00 N ATOM 401 CA ARG A 30 5.926 -9.822 7.463 1.00 0.00 C ATOM 402 C ARG A 30 4.617 -10.602 7.396 1.00 0.00 C ATOM 403 O ARG A 30 3.769 -10.490 8.283 1.00 0.00 O ATOM 404 CB ARG A 30 5.804 -8.529 6.654 1.00 0.00 C ATOM 405 CG ARG A 30 7.138 -7.856 6.377 1.00 0.00 C ATOM 406 CD ARG A 30 7.812 -7.403 7.663 1.00 0.00 C ATOM 407 NE ARG A 30 7.028 -6.389 8.363 1.00 0.00 N ATOM 408 CZ ARG A 30 7.181 -6.102 9.651 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.084 -6.749 10.375 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.430 -5.167 10.218 1.00 0.00 N ATOM 0 H ARG A 30 7.356 -10.374 6.032 1.00 0.00 H new ATOM 0 HA ARG A 30 6.128 -9.573 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.314 -8.749 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.160 -7.833 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.792 -8.548 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.985 -6.997 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.960 -8.262 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.800 -7.003 7.433 1.00 0.00 H new ATOM 0 HE ARG A 30 6.325 -5.873 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.663 -7.469 9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.199 -6.527 11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.734 -4.667 9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.549 -4.948 11.207 1.00 0.00 H new ATOM 424 N LEU A 31 4.458 -11.392 6.340 1.00 0.00 N ATOM 425 CA LEU A 31 3.251 -12.191 6.157 1.00 0.00 C ATOM 426 C LEU A 31 3.265 -13.415 7.066 1.00 0.00 C ATOM 427 O LEU A 31 2.247 -14.085 7.237 1.00 0.00 O ATOM 428 CB LEU A 31 3.122 -12.628 4.696 1.00 0.00 C ATOM 429 CG LEU A 31 1.831 -13.360 4.326 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.734 -12.365 3.979 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.074 -14.316 3.167 1.00 0.00 C ATOM 0 H LEU A 31 5.149 -11.497 5.597 1.00 0.00 H new ATOM 0 HA LEU A 31 2.393 -11.574 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.209 -11.744 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.965 -13.276 4.456 1.00 0.00 H new ATOM 0 HG LEU A 31 1.505 -13.942 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.177 -12.904 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.542 -11.721 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.050 -11.756 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.145 -14.828 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.424 -13.755 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.828 -15.050 3.453 1.00 0.00 H new ATOM 443 N GLN A 32 4.426 -13.700 7.649 1.00 0.00 N ATOM 444 CA GLN A 32 4.571 -14.843 8.542 1.00 0.00 C ATOM 445 C GLN A 32 4.643 -14.391 9.997 1.00 0.00 C ATOM 446 O GLN A 32 4.237 -15.117 10.904 1.00 0.00 O ATOM 447 CB GLN A 32 5.824 -15.642 8.182 1.00 0.00 C ATOM 448 CG GLN A 32 6.156 -16.738 9.183 1.00 0.00 C ATOM 449 CD GLN A 32 4.960 -17.610 9.511 1.00 0.00 C ATOM 450 OE1 GLN A 32 4.073 -17.805 8.680 1.00 0.00 O ATOM 451 NE2 GLN A 32 4.930 -18.140 10.728 1.00 0.00 N ATOM 0 H GLN A 32 5.278 -13.155 7.519 1.00 0.00 H new ATOM 0 HA GLN A 32 3.695 -15.480 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.689 -16.090 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.671 -14.960 8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.956 -17.361 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.533 -16.285 10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.687 -17.952 11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.150 -18.736 11.006 1.00 0.00 H new ATOM 460 N ALA A 33 5.162 -13.187 10.213 1.00 0.00 N ATOM 461 CA ALA A 33 5.286 -12.637 11.557 1.00 0.00 C ATOM 462 C ALA A 33 4.120 -11.709 11.880 1.00 0.00 C ATOM 463 O ALA A 33 3.757 -11.534 13.043 1.00 0.00 O ATOM 464 CB ALA A 33 6.608 -11.899 11.706 1.00 0.00 C ATOM 0 H ALA A 33 5.504 -12.573 9.473 1.00 0.00 H new ATOM 0 HA ALA A 33 5.264 -13.465 12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.687 -11.494 12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.432 -12.589 11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.653 -11.084 10.983 1.00 0.00 H new ATOM 470 N ASP A 34 3.538 -11.116 10.844 1.00 0.00 N ATOM 471 CA ASP A 34 2.412 -10.205 11.017 1.00 0.00 C ATOM 472 C ASP A 34 1.144 -10.784 10.397 1.00 0.00 C ATOM 473 O ASP A 34 0.045 -10.275 10.618 1.00 0.00 O ATOM 474 CB ASP A 34 2.727 -8.846 10.390 1.00 0.00 C ATOM 475 CG ASP A 34 2.001 -7.708 11.081 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.953 -7.705 12.329 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.483 -6.819 10.373 1.00 0.00 O ATOM 0 H ASP A 34 3.827 -11.250 9.875 1.00 0.00 H new ATOM 0 HA ASP A 34 2.244 -10.073 12.086 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.801 -8.668 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.451 -8.863 9.336 1.00 0.00 H new ATOM 482 N HIS A 35 1.305 -11.850 9.620 1.00 0.00 N ATOM 483 CA HIS A 35 0.173 -12.498 8.967 1.00 0.00 C ATOM 484 C HIS A 35 -0.503 -11.548 7.982 1.00 0.00 C ATOM 485 O HIS A 35 -1.709 -11.631 7.752 1.00 0.00 O ATOM 486 CB HIS A 35 -0.839 -12.976 10.009 1.00 0.00 C ATOM 487 CG HIS A 35 -0.231 -13.804 11.098 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.271 -15.071 10.889 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.043 -13.539 12.412 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.739 -15.551 12.028 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.561 -14.640 12.968 1.00 0.00 N ATOM 0 H HIS A 35 2.208 -12.283 9.427 1.00 0.00 H new ATOM 0 HA HIS A 35 0.548 -13.359 8.414 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.328 -12.109 10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.614 -13.558 9.511 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.317 -12.630 12.928 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.190 -16.522 12.167 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.829 -14.738 13.947 1.00 0.00 H new ATOM 499 N VAL A 36 0.283 -10.645 7.404 1.00 0.00 N ATOM 500 CA VAL A 36 -0.239 -9.680 6.444 1.00 0.00 C ATOM 501 C VAL A 36 0.883 -8.842 5.842 1.00 0.00 C ATOM 502 O VAL A 36 1.790 -8.401 6.549 1.00 0.00 O ATOM 503 CB VAL A 36 -1.272 -8.742 7.097 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.652 -7.998 8.269 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.829 -7.767 6.070 1.00 0.00 C ATOM 0 H VAL A 36 1.284 -10.562 7.584 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.726 -10.251 5.654 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.097 -9.345 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.397 -7.340 8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.306 -8.715 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.192 -7.404 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.557 -7.112 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.016 -7.168 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.313 -8.322 5.266 1.00 0.00 H new ATOM 515 N CYS A 37 0.815 -8.625 4.533 1.00 0.00 N ATOM 516 CA CYS A 37 1.826 -7.839 3.835 1.00 0.00 C ATOM 517 C CYS A 37 1.365 -7.492 2.423 1.00 0.00 C ATOM 518 O CYS A 37 1.047 -8.376 1.627 1.00 0.00 O ATOM 519 CB CYS A 37 3.148 -8.605 3.779 1.00 0.00 C ATOM 520 SG CYS A 37 4.577 -7.582 3.352 1.00 0.00 S ATOM 0 H CYS A 37 0.071 -8.982 3.934 1.00 0.00 H new ATOM 0 HA CYS A 37 1.975 -6.911 4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.326 -9.073 4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.059 -9.409 3.048 1.00 0.00 H new ATOM 0 HG CYS A 37 5.092 -8.001 2.235 1.00 0.00 H new ATOM 526 N LEU A 38 1.329 -6.199 2.119 1.00 0.00 N ATOM 527 CA LEU A 38 0.906 -5.734 0.803 1.00 0.00 C ATOM 528 C LEU A 38 1.756 -6.361 -0.296 1.00 0.00 C ATOM 529 O LEU A 38 2.985 -6.319 -0.243 1.00 0.00 O ATOM 530 CB LEU A 38 0.996 -4.209 0.726 1.00 0.00 C ATOM 531 CG LEU A 38 0.872 -3.599 -0.670 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.590 -3.417 -1.046 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.612 -2.271 -0.740 1.00 0.00 C ATOM 0 H LEU A 38 1.588 -5.454 2.766 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.130 -6.039 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.213 -3.787 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.950 -3.899 1.152 1.00 0.00 H new ATOM 0 HG LEU A 38 1.327 -4.284 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.658 -2.982 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.091 -4.385 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.071 -2.754 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.513 -1.852 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.187 -1.579 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.667 -2.430 -0.516 1.00 0.00 H new ATOM 545 N GLU A 39 1.094 -6.940 -1.293 1.00 0.00 N ATOM 546 CA GLU A 39 1.790 -7.575 -2.405 1.00 0.00 C ATOM 547 C GLU A 39 2.371 -6.528 -3.351 1.00 0.00 C ATOM 548 O GLU A 39 3.588 -6.400 -3.480 1.00 0.00 O ATOM 549 CB GLU A 39 0.840 -8.498 -3.171 1.00 0.00 C ATOM 550 CG GLU A 39 1.533 -9.347 -4.224 1.00 0.00 C ATOM 551 CD GLU A 39 0.699 -10.539 -4.653 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.153 -11.230 -3.769 1.00 0.00 O ATOM 553 OE2 GLU A 39 0.594 -10.779 -5.874 1.00 0.00 O ATOM 0 H GLU A 39 0.077 -6.982 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 39 2.609 -8.167 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.335 -9.154 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.070 -7.895 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.754 -8.730 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.487 -9.698 -3.832 1.00 0.00 H new ATOM 560 N ASN A 40 1.492 -5.782 -4.012 1.00 0.00 N ATOM 561 CA ASN A 40 1.917 -4.747 -4.947 1.00 0.00 C ATOM 562 C ASN A 40 0.885 -3.626 -5.024 1.00 0.00 C ATOM 563 O ASN A 40 -0.321 -3.873 -4.965 1.00 0.00 O ATOM 564 CB ASN A 40 2.140 -5.347 -6.337 1.00 0.00 C ATOM 565 CG ASN A 40 0.876 -5.958 -6.912 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.517 -7.089 -6.587 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.197 -5.209 -7.773 1.00 0.00 N ATOM 0 H ASN A 40 0.481 -5.875 -3.917 1.00 0.00 H new ATOM 0 HA ASN A 40 2.856 -4.328 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.504 -4.571 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.916 -6.110 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.660 -5.566 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.533 -4.276 -8.013 1.00 0.00 H new ATOM 574 N CYS A 41 1.365 -2.395 -5.156 1.00 0.00 N ATOM 575 CA CYS A 41 0.485 -1.235 -5.242 1.00 0.00 C ATOM 576 C CYS A 41 0.898 -0.322 -6.391 1.00 0.00 C ATOM 577 O CYS A 41 2.032 0.155 -6.441 1.00 0.00 O ATOM 578 CB CYS A 41 0.502 -0.458 -3.925 1.00 0.00 C ATOM 579 SG CYS A 41 -0.527 1.028 -3.931 1.00 0.00 S ATOM 0 H CYS A 41 2.360 -2.174 -5.206 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.527 -1.591 -5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.167 -1.116 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.529 -0.175 -3.696 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.448 1.615 -2.774 1.00 0.00 H new ATOM 585 N VAL A 42 -0.029 -0.083 -7.313 1.00 0.00 N ATOM 586 CA VAL A 42 0.239 0.773 -8.463 1.00 0.00 C ATOM 587 C VAL A 42 -0.618 2.033 -8.421 1.00 0.00 C ATOM 588 O VAL A 42 -1.565 2.127 -7.640 1.00 0.00 O ATOM 589 CB VAL A 42 -0.022 0.031 -9.787 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.820 -1.233 -9.867 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.501 -0.293 -9.933 1.00 0.00 C ATOM 0 H VAL A 42 -0.972 -0.470 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 42 1.292 1.051 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 42 0.267 0.683 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.622 -1.743 -10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.876 -0.971 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.566 -1.892 -9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.667 -0.817 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.818 -0.926 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.078 0.631 -9.926 1.00 0.00 H new ATOM 601 N LEU A 43 -0.279 3.000 -9.266 1.00 0.00 N ATOM 602 CA LEU A 43 -1.018 4.257 -9.327 1.00 0.00 C ATOM 603 C LEU A 43 -1.666 4.441 -10.696 1.00 0.00 C ATOM 604 O LEU A 43 -1.098 4.062 -11.720 1.00 0.00 O ATOM 605 CB LEU A 43 -0.087 5.433 -9.028 1.00 0.00 C ATOM 606 CG LEU A 43 -0.734 6.648 -8.362 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.270 7.367 -7.474 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.295 7.596 -9.411 1.00 0.00 C ATOM 0 H LEU A 43 0.503 2.938 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.806 4.225 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.719 5.078 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.369 5.756 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.557 6.301 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.208 8.229 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.624 6.686 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.114 7.702 -8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.751 8.455 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.489 7.937 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.047 7.077 -10.006 1.00 0.00 H new ATOM 620 N LYS A 44 -2.858 5.029 -10.705 1.00 0.00 N ATOM 621 CA LYS A 44 -3.583 5.268 -11.947 1.00 0.00 C ATOM 622 C LYS A 44 -4.214 6.657 -11.950 1.00 0.00 C ATOM 623 O LYS A 44 -4.044 7.428 -11.005 1.00 0.00 O ATOM 624 CB LYS A 44 -4.666 4.204 -12.143 1.00 0.00 C ATOM 625 CG LYS A 44 -4.131 2.782 -12.130 1.00 0.00 C ATOM 626 CD LYS A 44 -5.161 1.804 -11.593 1.00 0.00 C ATOM 627 CE LYS A 44 -6.302 1.599 -12.579 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.527 1.081 -11.910 1.00 0.00 N ATOM 0 H LYS A 44 -3.342 5.349 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.871 5.209 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.414 4.309 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.173 4.384 -13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.844 2.491 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.231 2.737 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.682 0.847 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.558 2.174 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.530 2.544 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.990 0.901 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.281 0.955 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.317 0.167 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.840 1.759 -11.186 1.00 0.00 H new ATOM 642 N ASP A 45 -4.943 6.968 -13.016 1.00 0.00 N ATOM 643 CA ASP A 45 -5.602 8.263 -13.140 1.00 0.00 C ATOM 644 C ASP A 45 -6.462 8.555 -11.914 1.00 0.00 C ATOM 645 O ASP A 45 -7.452 7.869 -11.660 1.00 0.00 O ATOM 646 CB ASP A 45 -6.462 8.303 -14.404 1.00 0.00 C ATOM 647 CG ASP A 45 -5.845 7.525 -15.549 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.602 7.408 -15.585 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.605 7.033 -16.410 1.00 0.00 O ATOM 0 H ASP A 45 -5.093 6.341 -13.807 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.831 9.030 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.448 7.896 -14.182 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.606 9.339 -14.709 1.00 0.00 H new ATOM 654 N LYS A 46 -6.077 9.577 -11.157 1.00 0.00 N ATOM 655 CA LYS A 46 -6.812 9.960 -9.958 1.00 0.00 C ATOM 656 C LYS A 46 -7.366 8.732 -9.243 1.00 0.00 C ATOM 657 O LYS A 46 -8.466 8.766 -8.692 1.00 0.00 O ATOM 658 CB LYS A 46 -7.955 10.913 -10.318 1.00 0.00 C ATOM 659 CG LYS A 46 -7.562 12.379 -10.274 1.00 0.00 C ATOM 660 CD LYS A 46 -8.770 13.286 -10.435 1.00 0.00 C ATOM 661 CE LYS A 46 -9.382 13.158 -11.822 1.00 0.00 C ATOM 662 NZ LYS A 46 -10.436 12.107 -11.869 1.00 0.00 N ATOM 0 H LYS A 46 -5.260 10.155 -11.353 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.121 10.468 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.316 10.672 -11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.785 10.747 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.067 12.596 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.842 12.587 -11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.517 13.036 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.475 14.321 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.810 14.115 -12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.600 12.921 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.202 11.414 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.489 11.627 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.354 12.546 -12.084 1.00 0.00 H new ATOM 676 N ALA A 47 -6.596 7.649 -9.254 1.00 0.00 N ATOM 677 CA ALA A 47 -7.009 6.412 -8.604 1.00 0.00 C ATOM 678 C ALA A 47 -5.815 5.495 -8.360 1.00 0.00 C ATOM 679 O ALA A 47 -4.738 5.701 -8.921 1.00 0.00 O ATOM 680 CB ALA A 47 -8.060 5.700 -9.442 1.00 0.00 C ATOM 0 H ALA A 47 -5.683 7.604 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.443 6.667 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.359 4.778 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.930 6.346 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.646 5.465 -10.422 1.00 0.00 H new ATOM 686 N ILE A 48 -6.012 4.485 -7.520 1.00 0.00 N ATOM 687 CA ILE A 48 -4.951 3.537 -7.202 1.00 0.00 C ATOM 688 C ILE A 48 -5.486 2.110 -7.150 1.00 0.00 C ATOM 689 O ILE A 48 -6.695 1.892 -7.083 1.00 0.00 O ATOM 690 CB ILE A 48 -4.280 3.872 -5.857 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.089 3.284 -4.699 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.136 5.379 -5.698 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.523 3.617 -3.336 1.00 0.00 C ATOM 0 H ILE A 48 -6.897 4.302 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.210 3.615 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.285 3.428 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.113 3.652 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.133 2.201 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.660 5.600 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.523 5.773 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.121 5.844 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.147 3.168 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.509 3.225 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.505 4.699 -3.204 1.00 0.00 H new ATOM 705 N ALA A 49 -4.576 1.142 -7.177 1.00 0.00 N ATOM 706 CA ALA A 49 -4.956 -0.265 -7.129 1.00 0.00 C ATOM 707 C ALA A 49 -3.810 -1.125 -6.609 1.00 0.00 C ATOM 708 O ALA A 49 -2.663 -0.967 -7.026 1.00 0.00 O ATOM 709 CB ALA A 49 -5.394 -0.741 -8.506 1.00 0.00 C ATOM 0 H ALA A 49 -3.571 1.306 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.794 -0.366 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.675 -1.793 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.249 -0.153 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.572 -0.619 -9.212 1.00 0.00 H new ATOM 715 N GLY A 50 -4.127 -2.036 -5.694 1.00 0.00 N ATOM 716 CA GLY A 50 -3.112 -2.908 -5.131 1.00 0.00 C ATOM 717 C GLY A 50 -3.699 -4.171 -4.534 1.00 0.00 C ATOM 718 O GLY A 50 -4.885 -4.220 -4.207 1.00 0.00 O ATOM 0 H GLY A 50 -5.069 -2.186 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.396 -3.176 -5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.560 -2.368 -4.361 1.00 0.00 H new ATOM 722 N THR A 51 -2.868 -5.199 -4.392 1.00 0.00 N ATOM 723 CA THR A 51 -3.311 -6.470 -3.833 1.00 0.00 C ATOM 724 C THR A 51 -2.570 -6.790 -2.540 1.00 0.00 C ATOM 725 O THR A 51 -1.342 -6.714 -2.481 1.00 0.00 O ATOM 726 CB THR A 51 -3.104 -7.625 -4.831 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.733 -7.681 -5.238 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.994 -7.451 -6.052 1.00 0.00 C ATOM 0 H THR A 51 -1.883 -5.176 -4.657 1.00 0.00 H new ATOM 0 HA THR A 51 -4.376 -6.369 -3.622 1.00 0.00 H new ATOM 0 HB THR A 51 -3.373 -8.557 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.579 -7.035 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.830 -8.278 -6.742 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.039 -7.438 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.752 -6.511 -6.548 1.00 0.00 H new ATOM 736 N VAL A 52 -3.322 -7.151 -1.506 1.00 0.00 N ATOM 737 CA VAL A 52 -2.736 -7.485 -0.213 1.00 0.00 C ATOM 738 C VAL A 52 -2.809 -8.985 0.052 1.00 0.00 C ATOM 739 O VAL A 52 -3.829 -9.623 -0.208 1.00 0.00 O ATOM 740 CB VAL A 52 -3.441 -6.737 0.934 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.819 -7.104 2.272 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.383 -5.234 0.704 1.00 0.00 C ATOM 0 H VAL A 52 -4.339 -7.220 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.692 -7.175 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.488 -7.039 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.330 -6.566 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.917 -8.177 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.763 -6.832 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.886 -4.721 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.342 -4.913 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.879 -4.990 -0.235 1.00 0.00 H new ATOM 752 N LYS A 53 -1.721 -9.542 0.571 1.00 0.00 N ATOM 753 CA LYS A 53 -1.660 -10.967 0.874 1.00 0.00 C ATOM 754 C LYS A 53 -1.817 -11.212 2.372 1.00 0.00 C ATOM 755 O LYS A 53 -1.383 -10.403 3.192 1.00 0.00 O ATOM 756 CB LYS A 53 -0.335 -11.557 0.387 1.00 0.00 C ATOM 757 CG LYS A 53 -0.426 -13.026 0.009 1.00 0.00 C ATOM 758 CD LYS A 53 -1.008 -13.208 -1.383 1.00 0.00 C ATOM 759 CE LYS A 53 -0.452 -14.452 -2.061 1.00 0.00 C ATOM 760 NZ LYS A 53 0.884 -14.201 -2.669 1.00 0.00 N ATOM 0 H LYS A 53 -0.868 -9.028 0.791 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.483 -11.459 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.011 -10.989 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.416 -11.437 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.566 -13.476 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.046 -13.552 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.094 -13.282 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.784 -12.331 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.374 -15.259 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.146 -14.786 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.094 -14.945 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.882 -13.275 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.611 -14.208 -1.925 1.00 0.00 H new ATOM 774 N VAL A 54 -2.440 -12.333 2.721 1.00 0.00 N ATOM 775 CA VAL A 54 -2.652 -12.685 4.120 1.00 0.00 C ATOM 776 C VAL A 54 -2.441 -14.178 4.349 1.00 0.00 C ATOM 777 O VAL A 54 -2.302 -14.947 3.398 1.00 0.00 O ATOM 778 CB VAL A 54 -4.069 -12.301 4.587 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.320 -10.818 4.365 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.113 -13.141 3.867 1.00 0.00 C ATOM 0 H VAL A 54 -2.807 -13.013 2.055 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.921 -12.124 4.702 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.148 -12.502 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.326 -10.565 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.592 -10.237 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.223 -10.587 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.108 -12.856 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.037 -12.974 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.943 -14.196 4.083 1.00 0.00 H new ATOM 790 N GLN A 55 -2.418 -14.579 5.616 1.00 0.00 N ATOM 791 CA GLN A 55 -2.223 -15.980 5.969 1.00 0.00 C ATOM 792 C GLN A 55 -3.562 -16.686 6.158 1.00 0.00 C ATOM 793 O GLN A 55 -4.507 -16.110 6.696 1.00 0.00 O ATOM 794 CB GLN A 55 -1.388 -16.095 7.246 1.00 0.00 C ATOM 795 CG GLN A 55 0.092 -15.822 7.031 1.00 0.00 C ATOM 796 CD GLN A 55 0.795 -16.952 6.306 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.161 -17.755 5.621 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.113 -17.021 6.453 1.00 0.00 N ATOM 0 H GLN A 55 -2.532 -13.954 6.414 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.690 -16.464 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.774 -15.395 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.508 -17.096 7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.208 -14.901 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.572 -15.661 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.598 -16.334 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.640 -17.761 5.989 1.00 0.00 H new ATOM 807 N ASN A 56 -3.635 -17.935 5.711 1.00 0.00 N ATOM 808 CA ASN A 56 -4.860 -18.719 5.831 1.00 0.00 C ATOM 809 C ASN A 56 -4.971 -19.346 7.217 1.00 0.00 C ATOM 810 O ASN A 56 -5.245 -20.540 7.350 1.00 0.00 O ATOM 811 CB ASN A 56 -4.898 -19.811 4.760 1.00 0.00 C ATOM 812 CG ASN A 56 -3.573 -20.537 4.627 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.842 -20.345 3.655 1.00 0.00 O ATOM 814 ND2 ASN A 56 -3.257 -21.375 5.607 1.00 0.00 N ATOM 0 H ASN A 56 -2.862 -18.426 5.263 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.707 -18.048 5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.680 -20.530 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.163 -19.366 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.378 -21.891 5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.893 -21.503 6.394 1.00 0.00 H new ATOM 821 N LEU A 57 -4.757 -18.535 8.247 1.00 0.00 N ATOM 822 CA LEU A 57 -4.834 -19.009 9.624 1.00 0.00 C ATOM 823 C LEU A 57 -6.264 -19.397 9.988 1.00 0.00 C ATOM 824 O LEU A 57 -6.524 -20.522 10.411 1.00 0.00 O ATOM 825 CB LEU A 57 -4.325 -17.933 10.584 1.00 0.00 C ATOM 826 CG LEU A 57 -3.018 -17.245 10.189 1.00 0.00 C ATOM 827 CD1 LEU A 57 -2.720 -16.086 11.128 1.00 0.00 C ATOM 828 CD2 LEU A 57 -1.869 -18.243 10.190 1.00 0.00 C ATOM 0 H LEU A 57 -4.529 -17.545 8.154 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.204 -19.894 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.097 -17.171 10.686 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.192 -18.385 11.567 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.129 -16.849 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.786 -15.608 10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.531 -15.359 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.629 -16.459 12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.947 -17.736 9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.758 -18.669 11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.079 -19.040 9.477 1.00 0.00 H new ATOM 840 N ALA A 58 -7.187 -18.456 9.817 1.00 0.00 N ATOM 841 CA ALA A 58 -8.591 -18.700 10.123 1.00 0.00 C ATOM 842 C ALA A 58 -9.419 -18.818 8.848 1.00 0.00 C ATOM 843 O ALA A 58 -8.981 -18.409 7.772 1.00 0.00 O ATOM 844 CB ALA A 58 -9.139 -17.591 11.009 1.00 0.00 C ATOM 0 H ALA A 58 -6.988 -17.518 9.468 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.660 -19.647 10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.188 -17.786 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.573 -17.556 11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.049 -16.635 10.493 1.00 0.00 H new ATOM 850 N PHE A 59 -10.616 -19.380 8.975 1.00 0.00 N ATOM 851 CA PHE A 59 -11.505 -19.553 7.832 1.00 0.00 C ATOM 852 C PHE A 59 -11.893 -18.203 7.235 1.00 0.00 C ATOM 853 O PHE A 59 -11.523 -17.884 6.105 1.00 0.00 O ATOM 854 CB PHE A 59 -12.762 -20.320 8.247 1.00 0.00 C ATOM 855 CG PHE A 59 -13.525 -20.893 7.087 1.00 0.00 C ATOM 856 CD1 PHE A 59 -14.427 -20.114 6.381 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.340 -22.212 6.703 1.00 0.00 C ATOM 858 CE1 PHE A 59 -15.131 -20.639 5.314 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.041 -22.743 5.637 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.937 -21.955 4.941 1.00 0.00 C ATOM 0 H PHE A 59 -10.993 -19.724 9.858 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.972 -20.126 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.479 -21.129 8.920 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.416 -19.653 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.582 -19.084 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.640 -22.832 7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -15.832 -20.021 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.889 -23.773 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.485 -22.367 4.107 1.00 0.00 H new ATOM 870 N GLU A 60 -12.641 -17.417 8.002 1.00 0.00 N ATOM 871 CA GLU A 60 -13.080 -16.102 7.549 1.00 0.00 C ATOM 872 C GLU A 60 -12.070 -15.027 7.939 1.00 0.00 C ATOM 873 O GLU A 60 -11.460 -15.089 9.007 1.00 0.00 O ATOM 874 CB GLU A 60 -14.452 -15.767 8.138 1.00 0.00 C ATOM 875 CG GLU A 60 -15.597 -16.515 7.476 1.00 0.00 C ATOM 876 CD GLU A 60 -16.935 -15.832 7.682 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.121 -14.718 7.149 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.797 -16.412 8.375 1.00 0.00 O ATOM 0 H GLU A 60 -12.956 -17.667 8.939 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.156 -16.127 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.447 -15.997 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.627 -14.695 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.399 -16.604 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.644 -17.528 7.876 1.00 0.00 H new ATOM 885 N LYS A 61 -11.898 -14.040 7.065 1.00 0.00 N ATOM 886 CA LYS A 61 -10.964 -12.950 7.316 1.00 0.00 C ATOM 887 C LYS A 61 -11.597 -11.603 6.981 1.00 0.00 C ATOM 888 O LYS A 61 -12.674 -11.542 6.387 1.00 0.00 O ATOM 889 CB LYS A 61 -9.688 -13.144 6.494 1.00 0.00 C ATOM 890 CG LYS A 61 -9.226 -14.589 6.421 1.00 0.00 C ATOM 891 CD LYS A 61 -8.483 -14.872 5.126 1.00 0.00 C ATOM 892 CE LYS A 61 -7.813 -16.238 5.154 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.769 -17.331 4.826 1.00 0.00 N ATOM 0 H LYS A 61 -12.394 -13.974 6.176 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.711 -12.959 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.857 -12.774 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.892 -12.538 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.577 -14.808 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.088 -15.252 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.179 -14.824 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.731 -14.100 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.987 -16.252 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.386 -16.413 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.307 -18.251 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.602 -17.261 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.067 -17.245 3.833 1.00 0.00 H new ATOM 907 N THR A 62 -10.920 -10.524 7.364 1.00 0.00 N ATOM 908 CA THR A 62 -11.416 -9.179 7.104 1.00 0.00 C ATOM 909 C THR A 62 -10.280 -8.239 6.716 1.00 0.00 C ATOM 910 O THR A 62 -9.453 -7.872 7.550 1.00 0.00 O ATOM 911 CB THR A 62 -12.147 -8.603 8.332 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.240 -9.453 8.695 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.662 -7.200 8.046 1.00 0.00 C ATOM 0 H THR A 62 -10.027 -10.556 7.855 1.00 0.00 H new ATOM 0 HA THR A 62 -12.119 -9.256 6.275 1.00 0.00 H new ATOM 0 HB THR A 62 -11.438 -8.551 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.698 -9.081 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.174 -6.814 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.824 -6.548 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.357 -7.232 7.207 1.00 0.00 H new ATOM 921 N VAL A 63 -10.246 -7.853 5.444 1.00 0.00 N ATOM 922 CA VAL A 63 -9.212 -6.955 4.946 1.00 0.00 C ATOM 923 C VAL A 63 -9.809 -5.626 4.495 1.00 0.00 C ATOM 924 O VAL A 63 -10.662 -5.585 3.608 1.00 0.00 O ATOM 925 CB VAL A 63 -8.441 -7.584 3.770 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.276 -6.696 3.360 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.957 -8.978 4.136 1.00 0.00 C ATOM 0 H VAL A 63 -10.923 -8.148 4.740 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.522 -6.779 5.771 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.117 -7.671 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.743 -7.156 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.653 -5.720 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.597 -6.575 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.414 -9.408 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.296 -8.918 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.813 -9.609 4.376 1.00 0.00 H new ATOM 937 N LYS A 64 -9.355 -4.540 5.112 1.00 0.00 N ATOM 938 CA LYS A 64 -9.842 -3.208 4.774 1.00 0.00 C ATOM 939 C LYS A 64 -8.709 -2.188 4.815 1.00 0.00 C ATOM 940 O LYS A 64 -7.986 -2.089 5.807 1.00 0.00 O ATOM 941 CB LYS A 64 -10.954 -2.789 5.739 1.00 0.00 C ATOM 942 CG LYS A 64 -12.251 -3.554 5.541 1.00 0.00 C ATOM 943 CD LYS A 64 -13.095 -3.558 6.805 1.00 0.00 C ATOM 944 CE LYS A 64 -14.435 -4.242 6.578 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.444 -3.833 7.594 1.00 0.00 N ATOM 0 H LYS A 64 -8.650 -4.557 5.849 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.242 -3.241 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.609 -2.934 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.148 -1.723 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.818 -3.106 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.028 -4.580 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.555 -4.068 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.260 -2.533 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.803 -3.998 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.302 -5.323 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.343 -4.320 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.104 -4.088 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.590 -2.805 7.544 1.00 0.00 H new ATOM 959 N ILE A 65 -8.561 -1.432 3.732 1.00 0.00 N ATOM 960 CA ILE A 65 -7.517 -0.418 3.646 1.00 0.00 C ATOM 961 C ILE A 65 -8.037 0.945 4.089 1.00 0.00 C ATOM 962 O ILE A 65 -9.145 1.344 3.732 1.00 0.00 O ATOM 963 CB ILE A 65 -6.961 -0.303 2.215 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.446 -1.660 1.733 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.854 0.740 2.159 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.221 -2.142 2.480 1.00 0.00 C ATOM 0 H ILE A 65 -9.150 -1.502 2.903 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.715 -0.733 4.314 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.767 0.014 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.240 -2.399 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.211 -1.594 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.471 0.810 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.251 1.708 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.047 0.450 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.912 -3.110 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.412 -1.423 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.457 -2.241 3.540 1.00 0.00 H new ATOM 978 N ARG A 66 -7.228 1.656 4.869 1.00 0.00 N ATOM 979 CA ARG A 66 -7.606 2.975 5.360 1.00 0.00 C ATOM 980 C ARG A 66 -6.732 4.059 4.736 1.00 0.00 C ATOM 981 O ARG A 66 -5.516 4.075 4.925 1.00 0.00 O ATOM 982 CB ARG A 66 -7.491 3.028 6.885 1.00 0.00 C ATOM 983 CG ARG A 66 -6.093 2.728 7.400 1.00 0.00 C ATOM 984 CD ARG A 66 -6.072 2.611 8.917 1.00 0.00 C ATOM 985 NE ARG A 66 -6.135 3.918 9.567 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.756 4.133 10.822 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.290 3.134 11.558 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.844 5.350 11.343 1.00 0.00 N ATOM 0 H ARG A 66 -6.307 1.340 5.174 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.642 3.158 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.792 4.017 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.190 2.313 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.732 1.800 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.411 3.518 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.914 2.002 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.164 2.094 9.228 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.489 4.708 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.222 2.197 11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.000 3.302 12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.203 6.121 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.553 5.515 12.307 1.00 0.00 H new ATOM 1002 N MET A 67 -7.360 4.963 3.991 1.00 0.00 N ATOM 1003 CA MET A 67 -6.640 6.051 3.340 1.00 0.00 C ATOM 1004 C MET A 67 -7.063 7.401 3.909 1.00 0.00 C ATOM 1005 O MET A 67 -8.241 7.629 4.185 1.00 0.00 O ATOM 1006 CB MET A 67 -6.885 6.021 1.830 1.00 0.00 C ATOM 1007 CG MET A 67 -6.004 6.986 1.052 1.00 0.00 C ATOM 1008 SD MET A 67 -6.481 7.118 -0.681 1.00 0.00 S ATOM 1009 CE MET A 67 -5.167 6.187 -1.466 1.00 0.00 C ATOM 0 H MET A 67 -8.366 4.963 3.823 1.00 0.00 H new ATOM 0 HA MET A 67 -5.576 5.914 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.714 5.009 1.463 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.931 6.259 1.635 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.054 7.972 1.515 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.967 6.657 1.115 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.197 6.352 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.204 6.516 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.299 5.125 -1.258 1.00 0.00 H new ATOM 1019 N THR A 68 -6.094 8.295 4.083 1.00 0.00 N ATOM 1020 CA THR A 68 -6.366 9.622 4.621 1.00 0.00 C ATOM 1021 C THR A 68 -5.634 10.697 3.826 1.00 0.00 C ATOM 1022 O THR A 68 -4.557 10.456 3.281 1.00 0.00 O ATOM 1023 CB THR A 68 -5.953 9.723 6.101 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.384 10.976 6.645 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.445 9.590 6.253 1.00 0.00 C ATOM 0 H THR A 68 -5.114 8.124 3.859 1.00 0.00 H new ATOM 0 HA THR A 68 -7.441 9.783 4.540 1.00 0.00 H new ATOM 0 HB THR A 68 -6.430 8.908 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.569 10.871 7.602 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.178 9.665 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.124 8.623 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.952 10.387 5.696 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.226 11.886 3.765 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.630 12.999 3.036 1.00 0.00 C ATOM 1035 C PHE A 69 -5.410 14.197 3.956 1.00 0.00 C ATOM 1036 O PHE A 69 -5.141 15.306 3.496 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.522 13.403 1.860 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.083 12.232 1.104 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.356 11.634 0.088 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.338 11.731 1.410 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.869 10.556 -0.609 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.856 10.653 0.717 1.00 0.00 C ATOM 1043 CZ PHE A 69 -8.122 10.066 -0.295 1.00 0.00 C ATOM 0 H PHE A 69 -7.117 12.103 4.211 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.662 12.673 2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.345 14.014 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.947 14.026 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.377 12.014 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.918 12.188 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.291 10.098 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.834 10.270 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.527 9.226 -0.840 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.528 13.963 5.259 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.342 15.021 6.245 1.00 0.00 C ATOM 1055 C ASP A 70 -4.443 14.551 7.384 1.00 0.00 C ATOM 1056 O ASP A 70 -4.914 14.269 8.486 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.694 15.474 6.799 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.578 16.093 5.735 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.094 16.987 5.009 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.754 15.686 5.629 1.00 0.00 O ATOM 0 H ASP A 70 -5.751 13.051 5.656 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.860 15.864 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.207 14.620 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.532 16.197 7.598 1.00 0.00 H new ATOM 1065 N THR A 71 -3.145 14.466 7.110 1.00 0.00 N ATOM 1066 CA THR A 71 -2.180 14.027 8.110 1.00 0.00 C ATOM 1067 C THR A 71 -2.803 13.021 9.071 1.00 0.00 C ATOM 1068 O THR A 71 -2.664 13.143 10.288 1.00 0.00 O ATOM 1069 CB THR A 71 -1.627 15.217 8.918 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.210 16.260 8.030 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.456 14.784 9.786 1.00 0.00 C ATOM 0 H THR A 71 -2.738 14.696 6.203 1.00 0.00 H new ATOM 0 HA THR A 71 -1.361 13.551 7.571 1.00 0.00 H new ATOM 0 HB THR A 71 -2.421 15.588 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.010 15.879 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.082 15.641 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.784 14.011 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.339 14.390 9.154 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.488 12.027 8.517 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.132 10.999 9.327 1.00 0.00 C ATOM 1081 C TRP A 72 -5.189 11.608 10.241 1.00 0.00 C ATOM 1082 O TRP A 72 -5.196 11.365 11.448 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.090 10.250 10.160 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.140 9.439 9.332 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.882 9.798 8.940 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.372 8.133 8.794 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.318 8.795 8.190 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.211 7.761 8.087 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.446 7.240 8.841 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.098 6.537 7.433 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.332 6.025 8.192 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.165 5.682 7.497 1.00 0.00 C ATOM 0 H TRP A 72 -3.612 11.911 7.511 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.623 10.296 8.654 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.523 10.969 10.751 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.601 9.592 10.863 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.401 10.734 9.184 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.614 8.816 7.777 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.349 7.495 9.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.200 6.272 6.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.157 5.328 8.221 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.106 4.724 7.002 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.082 12.401 9.659 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.146 13.045 10.420 1.00 0.00 C ATOM 1105 C LYS A 73 -8.516 12.560 9.958 1.00 0.00 C ATOM 1106 O LYS A 73 -9.422 12.365 10.768 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.056 14.566 10.277 1.00 0.00 C ATOM 1108 CG LYS A 73 -5.922 15.186 11.074 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.270 16.590 11.539 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.076 17.610 10.428 1.00 0.00 C ATOM 1111 NZ LYS A 73 -5.948 18.994 10.961 1.00 0.00 N ATOM 0 H LYS A 73 -6.090 12.613 8.661 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.021 12.777 11.469 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.928 14.816 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.999 15.009 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.699 14.560 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.021 15.217 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.305 16.615 11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.646 16.857 12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.184 17.358 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.920 17.563 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.817 19.659 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.810 19.245 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.127 19.046 11.598 1.00 0.00 H new ATOM 1125 N SER A 74 -8.661 12.367 8.651 1.00 0.00 N ATOM 1126 CA SER A 74 -9.921 11.908 8.080 1.00 0.00 C ATOM 1127 C SER A 74 -9.693 10.736 7.130 1.00 0.00 C ATOM 1128 O SER A 74 -9.436 10.928 5.941 1.00 0.00 O ATOM 1129 CB SER A 74 -10.618 13.051 7.340 1.00 0.00 C ATOM 1130 OG SER A 74 -11.841 12.620 6.770 1.00 0.00 O ATOM 0 H SER A 74 -7.920 12.522 7.967 1.00 0.00 H new ATOM 0 HA SER A 74 -10.559 11.572 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.805 13.874 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.963 13.434 6.557 1.00 0.00 H new ATOM 0 HG SER A 74 -12.267 13.370 6.304 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.788 9.523 7.663 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.589 8.320 6.864 1.00 0.00 C ATOM 1138 C TYR A 75 -10.910 7.589 6.641 1.00 0.00 C ATOM 1139 O TYR A 75 -11.912 7.880 7.295 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.587 7.388 7.548 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.131 6.722 8.792 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.787 5.499 8.718 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.990 7.315 10.040 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.287 4.887 9.851 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.485 6.710 11.179 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.133 5.496 11.079 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.629 4.891 12.211 1.00 0.00 O ATOM 0 H TYR A 75 -10.002 9.347 8.645 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.192 8.620 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.277 6.619 6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.695 7.957 7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.908 5.019 7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.484 8.266 10.121 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.796 3.937 9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.365 7.184 12.142 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.436 5.450 12.992 1.00 0.00 H new ATOM 1157 N THR A 76 -10.903 6.638 5.713 1.00 0.00 N ATOM 1158 CA THR A 76 -12.099 5.865 5.402 1.00 0.00 C ATOM 1159 C THR A 76 -11.769 4.387 5.231 1.00 0.00 C ATOM 1160 O THR A 76 -10.743 4.033 4.649 1.00 0.00 O ATOM 1161 CB THR A 76 -12.782 6.379 4.121 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.123 7.762 4.268 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.035 5.572 3.815 1.00 0.00 C ATOM 0 H THR A 76 -10.082 6.384 5.163 1.00 0.00 H new ATOM 0 HA THR A 76 -12.782 5.987 6.243 1.00 0.00 H new ATOM 0 HB THR A 76 -12.083 6.264 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.555 8.081 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.500 5.953 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.768 4.525 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.736 5.659 4.645 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.645 3.527 5.740 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.447 2.086 5.642 1.00 0.00 C ATOM 1173 C ASP A 77 -13.012 1.548 4.331 1.00 0.00 C ATOM 1174 O ASP A 77 -14.218 1.614 4.090 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.107 1.377 6.826 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.211 1.334 8.048 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -11.062 0.860 7.925 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -12.658 1.776 9.127 1.00 0.00 O ATOM 0 H ASP A 77 -13.499 3.803 6.225 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.375 1.889 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.037 1.887 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.370 0.360 6.536 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.134 1.016 3.487 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.546 0.469 2.200 1.00 0.00 C ATOM 1185 C PHE A 78 -12.478 -1.055 2.210 1.00 0.00 C ATOM 1186 O PHE A 78 -11.444 -1.654 2.507 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.661 1.022 1.080 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.314 2.473 1.252 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.284 3.453 1.109 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.018 2.858 1.556 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -11.968 4.789 1.267 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.697 4.193 1.716 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.672 5.160 1.570 1.00 0.00 C ATOM 0 H PHE A 78 -11.133 0.952 3.671 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.579 0.768 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.741 0.440 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.171 0.889 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.299 3.169 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.250 2.107 1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.733 5.542 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.684 4.480 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.422 6.204 1.692 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.607 -1.699 1.880 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.703 -3.162 1.844 1.00 0.00 C ATOM 1205 C PRO A 79 -12.906 -3.767 0.693 1.00 0.00 C ATOM 1206 O PRO A 79 -13.024 -3.332 -0.453 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.200 -3.415 1.648 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.708 -2.183 0.981 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.878 -1.050 1.516 1.00 0.00 C ATOM 0 HA PRO A 79 -13.294 -3.619 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.375 -4.299 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.701 -3.585 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.613 -2.258 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.765 -2.029 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.731 -0.271 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.350 -0.579 2.378 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.094 -4.771 1.006 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.277 -5.436 -0.003 1.00 0.00 C ATOM 1219 C CYS A 80 -11.996 -6.655 -0.569 1.00 0.00 C ATOM 1220 O CYS A 80 -12.896 -7.206 0.066 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.932 -5.853 0.595 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.736 -4.505 0.734 1.00 0.00 S ATOM 0 H CYS A 80 -11.984 -5.142 1.950 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.103 -4.731 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.102 -6.277 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.502 -6.643 -0.020 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.725 -4.059 1.955 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.595 -7.070 -1.766 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.204 -8.223 -2.418 1.00 0.00 C ATOM 1230 C GLN A 81 -11.173 -9.322 -2.655 1.00 0.00 C ATOM 1231 O GLN A 81 -9.980 -9.129 -2.418 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.839 -7.808 -3.746 1.00 0.00 C ATOM 1233 CG GLN A 81 -11.875 -7.107 -4.689 1.00 0.00 C ATOM 1234 CD GLN A 81 -12.384 -7.060 -6.116 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -13.497 -6.602 -6.375 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -11.570 -7.534 -7.052 1.00 0.00 N ATOM 0 H GLN A 81 -10.851 -6.625 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.979 -8.614 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.238 -8.693 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.682 -7.147 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.702 -6.091 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.914 -7.620 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.656 -7.904 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.859 -7.528 -8.030 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.641 -10.474 -3.124 1.00 0.00 N ATOM 1246 CA TYR A 82 -10.759 -11.604 -3.390 1.00 0.00 C ATOM 1247 C TYR A 82 -10.530 -11.775 -4.888 1.00 0.00 C ATOM 1248 O TYR A 82 -11.473 -11.746 -5.680 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.350 -12.888 -2.803 1.00 0.00 C ATOM 1250 CG TYR A 82 -10.385 -14.051 -2.798 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -9.863 -14.552 -3.984 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -9.994 -14.650 -1.606 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -8.981 -15.615 -3.984 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -9.112 -15.713 -1.596 1.00 0.00 C ATOM 1255 CZ TYR A 82 -8.609 -16.192 -2.787 1.00 0.00 C ATOM 1256 OH TYR A 82 -7.730 -17.251 -2.783 1.00 0.00 O ATOM 0 H TYR A 82 -12.625 -10.649 -3.327 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.799 -11.403 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.677 -12.694 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.236 -13.164 -3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.152 -14.102 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.387 -14.278 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.585 -15.992 -4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.818 -16.166 -0.661 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.124 -17.176 -3.549 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.270 -11.954 -5.271 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.915 -12.132 -6.674 1.00 0.00 C ATOM 1268 C VAL A 83 -8.800 -13.610 -7.029 1.00 0.00 C ATOM 1269 O VAL A 83 -7.904 -14.307 -6.553 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.586 -11.430 -7.010 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.221 -11.648 -8.470 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.672 -9.946 -6.689 1.00 0.00 C ATOM 0 H VAL A 83 -8.478 -11.980 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.714 -11.681 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.799 -11.866 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.279 -11.145 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.115 -12.716 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.007 -11.240 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.724 -9.466 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.470 -9.492 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.883 -9.815 -5.628 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.848 -16.626 -0.128 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.936 -15.664 0.003 1.00 0.00 C ATOM 1417 C ASP A 93 -5.483 -14.270 -0.418 1.00 0.00 C ATOM 1418 O ASP A 93 -5.182 -13.422 0.423 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.448 -15.634 1.444 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.920 -15.282 1.528 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -8.379 -14.450 0.717 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.614 -15.839 2.404 1.00 0.00 O ATOM 0 HA ASP A 93 -6.746 -15.977 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.283 -16.608 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.871 -14.908 2.017 1.00 0.00 H new ATOM 1427 N THR A 94 -5.435 -14.038 -1.726 1.00 0.00 N ATOM 1428 CA THR A 94 -5.017 -12.748 -2.260 1.00 0.00 C ATOM 1429 C THR A 94 -6.202 -11.800 -2.399 1.00 0.00 C ATOM 1430 O THR A 94 -7.213 -12.140 -3.015 1.00 0.00 O ATOM 1431 CB THR A 94 -4.333 -12.902 -3.631 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.348 -13.940 -3.574 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.678 -11.598 -4.059 1.00 0.00 C ATOM 0 H THR A 94 -5.681 -14.728 -2.436 1.00 0.00 H new ATOM 0 HA THR A 94 -4.302 -12.330 -1.551 1.00 0.00 H new ATOM 0 HB THR A 94 -5.095 -13.165 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.919 -14.032 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.202 -11.732 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.435 -10.817 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.927 -11.309 -3.323 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.073 -10.609 -1.824 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.134 -9.611 -1.885 1.00 0.00 C ATOM 1443 C PHE A 95 -6.701 -8.405 -2.713 1.00 0.00 C ATOM 1444 O PHE A 95 -5.509 -8.181 -2.925 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.522 -9.163 -0.474 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.089 -10.267 0.372 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.253 -11.102 1.096 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.457 -10.471 0.442 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.771 -12.119 1.875 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -9.981 -11.486 1.220 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.137 -12.312 1.937 1.00 0.00 C ATOM 0 H PHE A 95 -5.244 -10.311 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.000 -10.066 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.643 -8.751 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.254 -8.359 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.184 -10.956 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.122 -9.830 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.108 -12.762 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.050 -11.633 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.544 -13.107 2.544 1.00 0.00 H new ATOM 1461 N SER A 96 -7.677 -7.633 -3.178 1.00 0.00 N ATOM 1462 CA SER A 96 -7.398 -6.452 -3.987 1.00 0.00 C ATOM 1463 C SER A 96 -8.156 -5.239 -3.457 1.00 0.00 C ATOM 1464 O SER A 96 -9.260 -5.365 -2.927 1.00 0.00 O ATOM 1465 CB SER A 96 -7.777 -6.707 -5.447 1.00 0.00 C ATOM 1466 OG SER A 96 -7.088 -5.822 -6.314 1.00 0.00 O ATOM 0 H SER A 96 -8.668 -7.804 -3.009 1.00 0.00 H new ATOM 0 HA SER A 96 -6.329 -6.245 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.542 -7.738 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.852 -6.582 -5.574 1.00 0.00 H new ATOM 0 HG SER A 96 -7.346 -6.006 -7.241 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.556 -4.063 -3.605 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.173 -2.825 -3.141 1.00 0.00 C ATOM 1474 C PHE A 97 -8.141 -1.759 -4.232 1.00 0.00 C ATOM 1475 O PHE A 97 -7.121 -1.562 -4.892 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.457 -2.312 -1.889 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.064 -1.818 -2.155 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.852 -0.559 -2.693 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -4.966 -2.613 -1.867 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.571 -0.103 -2.940 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.683 -2.162 -2.111 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.485 -0.904 -2.647 1.00 0.00 C ATOM 0 H PHE A 97 -6.643 -3.941 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.214 -3.037 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.043 -1.504 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.415 -3.113 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.697 0.073 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.115 -3.597 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.419 0.879 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.836 -2.792 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.483 -0.548 -2.836 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.265 -1.076 -4.416 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.367 -0.029 -5.426 1.00 0.00 C ATOM 1494 C ASP A 98 -9.913 1.260 -4.819 1.00 0.00 C ATOM 1495 O ASP A 98 -11.120 1.402 -4.623 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.266 -0.487 -6.576 1.00 0.00 C ATOM 1497 CG ASP A 98 -10.460 0.592 -7.623 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -9.573 0.745 -8.489 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.499 1.284 -7.577 1.00 0.00 O ATOM 0 H ASP A 98 -10.119 -1.228 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.367 0.168 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.831 -1.370 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.237 -0.783 -6.179 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.016 2.195 -4.525 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.408 3.472 -3.941 1.00 0.00 C ATOM 1506 C ILE A 99 -9.383 4.584 -4.984 1.00 0.00 C ATOM 1507 O ILE A 99 -8.453 4.676 -5.786 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.488 3.861 -2.769 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.615 2.844 -1.633 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.823 5.260 -2.275 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.424 2.827 -0.701 1.00 0.00 C ATOM 0 H ILE A 99 -8.013 2.092 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.425 3.350 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.456 3.858 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.514 3.065 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.746 1.850 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.164 5.521 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.686 5.975 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.859 5.288 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.583 2.083 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.525 2.576 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.304 3.810 -0.246 1.00 0.00 H new ATOM 1523 N SER A 100 -10.409 5.429 -4.965 1.00 0.00 N ATOM 1524 CA SER A 100 -10.505 6.535 -5.911 1.00 0.00 C ATOM 1525 C SER A 100 -10.007 7.833 -5.281 1.00 0.00 C ATOM 1526 O SER A 100 -10.673 8.417 -4.425 1.00 0.00 O ATOM 1527 CB SER A 100 -11.951 6.706 -6.382 1.00 0.00 C ATOM 1528 OG SER A 100 -12.475 5.483 -6.871 1.00 0.00 O ATOM 0 H SER A 100 -11.185 5.369 -4.306 1.00 0.00 H new ATOM 0 HA SER A 100 -9.875 6.303 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.566 7.065 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.995 7.463 -7.165 1.00 0.00 H new ATOM 0 HG SER A 100 -13.400 5.618 -7.164 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.832 8.278 -5.711 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.243 9.507 -5.191 1.00 0.00 C ATOM 1536 C LEU A 101 -9.253 10.649 -5.218 1.00 0.00 C ATOM 1537 O LEU A 101 -10.190 10.664 -6.017 1.00 0.00 O ATOM 1538 CB LEU A 101 -7.005 9.887 -6.005 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.796 8.962 -5.859 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.684 9.384 -6.807 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.299 8.957 -4.421 1.00 0.00 C ATOM 0 H LEU A 101 -8.268 7.806 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.950 9.330 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.284 9.924 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.703 10.895 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.104 7.949 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.832 8.715 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.044 9.336 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.378 10.405 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.438 8.293 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.008 9.967 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.094 8.607 -3.763 1.00 0.00 H new ATOM 1553 N PRO A 102 -9.060 11.632 -4.325 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.943 12.798 -4.228 1.00 0.00 C ATOM 1555 C PRO A 102 -9.808 13.729 -5.429 1.00 0.00 C ATOM 1556 O PRO A 102 -8.845 13.638 -6.190 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.467 13.498 -2.953 1.00 0.00 C ATOM 1558 CG PRO A 102 -8.046 13.080 -2.799 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.965 11.680 -3.342 1.00 0.00 C ATOM 0 HA PRO A 102 -10.995 12.512 -4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.554 14.581 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.063 13.199 -2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.381 13.749 -3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.741 13.111 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.999 11.485 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.097 10.936 -2.556 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.439 15.621 4.870 1.00 0.00 N ATOM 1688 CA ARG A 110 0.182 14.352 4.512 1.00 0.00 C ATOM 1689 C ARG A 110 -0.853 13.379 3.954 1.00 0.00 C ATOM 1690 O ARG A 110 -2.052 13.536 4.181 1.00 0.00 O ATOM 1691 CB ARG A 110 0.872 13.735 5.730 1.00 0.00 C ATOM 1692 CG ARG A 110 2.085 12.888 5.379 1.00 0.00 C ATOM 1693 CD ARG A 110 3.349 13.730 5.303 1.00 0.00 C ATOM 1694 NE ARG A 110 4.557 12.913 5.388 1.00 0.00 N ATOM 1695 CZ ARG A 110 5.081 12.266 4.352 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.507 12.342 3.160 1.00 0.00 N ATOM 1697 NH2 ARG A 110 6.182 11.543 4.509 1.00 0.00 N ATOM 0 HA ARG A 110 0.927 14.546 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.180 14.533 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.153 13.119 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.212 12.105 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.919 12.391 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.356 14.290 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.347 14.460 6.112 1.00 0.00 H new ATOM 0 HE ARG A 110 5.024 12.835 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.661 12.898 3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.911 11.844 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.627 11.483 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.584 11.047 3.714 1.00 0.00 H new ATOM 1711 N MET A 111 -0.380 12.375 3.223 1.00 0.00 N ATOM 1712 CA MET A 111 -1.265 11.376 2.634 1.00 0.00 C ATOM 1713 C MET A 111 -0.632 9.989 2.689 1.00 0.00 C ATOM 1714 O MET A 111 0.421 9.754 2.098 1.00 0.00 O ATOM 1715 CB MET A 111 -1.591 11.744 1.185 1.00 0.00 C ATOM 1716 CG MET A 111 -2.340 10.654 0.435 1.00 0.00 C ATOM 1717 SD MET A 111 -2.816 11.158 -1.229 1.00 0.00 S ATOM 1718 CE MET A 111 -1.224 11.608 -1.915 1.00 0.00 C ATOM 0 H MET A 111 0.610 12.231 3.024 1.00 0.00 H new ATOM 0 HA MET A 111 -2.188 11.358 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.188 12.656 1.176 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.663 11.965 0.657 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.714 9.763 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.233 10.380 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.178 12.689 -2.049 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.433 11.293 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.091 11.117 -2.879 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.282 9.075 3.402 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.781 7.712 3.534 1.00 0.00 C ATOM 1730 C GLU A 112 -1.926 6.732 3.773 1.00 0.00 C ATOM 1731 O GLU A 112 -3.065 7.136 4.006 1.00 0.00 O ATOM 1732 CB GLU A 112 0.228 7.625 4.682 1.00 0.00 C ATOM 1733 CG GLU A 112 1.397 8.584 4.539 1.00 0.00 C ATOM 1734 CD GLU A 112 2.572 8.208 5.421 1.00 0.00 C ATOM 1735 OE1 GLU A 112 3.291 7.248 5.073 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.772 8.873 6.459 1.00 0.00 O ATOM 0 H GLU A 112 -2.156 9.253 3.897 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.284 7.443 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.285 7.829 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.610 6.606 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.721 8.604 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.068 9.592 4.790 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.614 5.441 3.714 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.616 4.403 3.922 1.00 0.00 C ATOM 1745 C PHE A 113 -2.031 3.230 4.703 1.00 0.00 C ATOM 1746 O PHE A 113 -0.871 2.863 4.516 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.161 3.913 2.578 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.216 3.008 1.842 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.135 1.662 2.161 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.407 3.503 0.831 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.266 0.826 1.485 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.537 2.672 0.152 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.466 1.332 0.480 1.00 0.00 C ATOM 0 H PHE A 113 -0.676 5.089 3.524 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.432 4.833 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.100 3.385 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.388 4.775 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.758 1.261 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.457 4.550 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.213 -0.221 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.087 3.070 -0.635 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.214 0.681 -0.049 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.841 2.647 5.581 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.405 1.516 6.390 1.00 0.00 C ATOM 1765 C ALA A 114 -3.294 0.300 6.158 1.00 0.00 C ATOM 1766 O ALA A 114 -4.471 0.433 5.821 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.397 1.893 7.864 1.00 0.00 C ATOM 0 H ALA A 114 -3.803 2.940 5.750 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.391 1.255 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.069 1.039 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.714 2.728 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.402 2.183 8.171 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.724 -0.888 6.339 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.466 -2.129 6.149 1.00 0.00 C ATOM 1775 C VAL A 115 -3.990 -2.664 7.477 1.00 0.00 C ATOM 1776 O VAL A 115 -3.263 -2.709 8.470 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.594 -3.208 5.481 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.408 -4.465 5.218 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.985 -2.677 4.192 1.00 0.00 C ATOM 0 H VAL A 115 -1.751 -1.017 6.617 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.308 -1.898 5.496 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.782 -3.466 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.775 -5.216 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.791 -4.854 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.242 -4.227 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.372 -3.452 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.781 -2.390 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.365 -1.808 4.413 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.254 -3.069 7.488 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.876 -3.601 8.695 1.00 0.00 C ATOM 1791 C TYR A 116 -6.435 -4.999 8.450 1.00 0.00 C ATOM 1792 O TYR A 116 -7.533 -5.157 7.916 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.993 -2.670 9.170 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.129 -3.390 9.861 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.907 -4.138 11.011 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.425 -3.322 9.365 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.941 -4.799 11.644 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.466 -3.977 9.993 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.219 -4.715 11.132 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.253 -5.370 11.761 1.00 0.00 O ATOM 0 H TYR A 116 -5.869 -3.039 6.675 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.111 -3.666 9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.573 -1.932 9.853 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.388 -2.124 8.313 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.908 -4.203 11.417 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.622 -2.747 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.750 -5.379 12.535 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.468 -3.912 9.595 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.088 -5.208 11.274 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.670 -6.011 8.844 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.086 -7.398 8.666 1.00 0.00 C ATOM 1812 C TYR A 117 -6.563 -7.997 9.986 1.00 0.00 C ATOM 1813 O TYR A 117 -5.781 -8.166 10.921 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.933 -8.230 8.103 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.327 -9.644 7.742 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.414 -9.894 6.913 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.612 -10.731 8.229 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.778 -11.185 6.581 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.967 -12.025 7.901 1.00 0.00 C ATOM 1820 CZ TYR A 117 -6.051 -12.247 7.078 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.410 -13.534 6.749 1.00 0.00 O ATOM 0 H TYR A 117 -4.759 -5.897 9.289 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.916 -7.414 7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.537 -7.734 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.127 -8.262 8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.984 -9.065 6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.764 -10.561 8.875 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.626 -11.362 5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.399 -12.858 8.287 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.808 -13.972 7.530 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.852 -8.316 10.052 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.434 -8.896 11.257 1.00 0.00 C ATOM 1833 C GLU A 118 -8.587 -10.407 11.113 1.00 0.00 C ATOM 1834 O GLU A 118 -9.166 -10.894 10.141 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.794 -8.260 11.550 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.159 -8.255 13.025 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.479 -9.641 13.551 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.465 -10.242 13.076 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.744 -10.124 14.438 1.00 0.00 O ATOM 0 H GLU A 118 -8.512 -8.183 9.286 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.760 -8.694 12.089 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.793 -7.234 11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.564 -8.797 10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.333 -7.834 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.019 -7.604 13.181 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.064 -11.144 12.087 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.140 -12.600 12.070 1.00 0.00 C ATOM 1848 C CYS A 119 -7.788 -13.180 13.436 1.00 0.00 C ATOM 1849 O CYS A 119 -7.036 -12.577 14.201 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.202 -13.168 11.004 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.957 -13.336 9.369 1.00 0.00 S ATOM 0 H CYS A 119 -7.583 -10.757 12.899 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.165 -12.882 11.830 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -6.327 -12.522 10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.848 -14.146 11.331 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.388 -12.510 8.541 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.338 -14.352 13.735 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.083 -15.012 15.011 1.00 0.00 C ATOM 1859 C ASN A 120 -8.331 -14.058 16.176 1.00 0.00 C ATOM 1860 O ASN A 120 -7.567 -14.027 17.139 1.00 0.00 O ATOM 1861 CB ASN A 120 -6.645 -15.533 15.061 1.00 0.00 C ATOM 1862 CG ASN A 120 -6.240 -16.236 13.779 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.392 -17.450 13.650 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -5.721 -15.472 12.825 1.00 0.00 N ATOM 0 H ASN A 120 -8.963 -14.864 13.112 1.00 0.00 H new ATOM 0 HA ASN A 120 -8.770 -15.853 15.101 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -5.966 -14.701 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.540 -16.222 15.899 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.429 -15.888 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.614 -14.469 12.977 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.407 -13.283 16.080 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.737 -12.339 17.132 1.00 0.00 C ATOM 1873 C GLY A 121 -8.597 -11.388 17.437 1.00 0.00 C ATOM 1874 O GLY A 121 -8.370 -11.033 18.593 1.00 0.00 O ATOM 0 H GLY A 121 -10.056 -13.292 15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.616 -11.765 16.838 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.001 -12.886 18.037 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.878 -10.976 16.398 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.753 -10.063 16.561 1.00 0.00 C ATOM 1880 C GLN A 122 -6.822 -8.928 15.544 1.00 0.00 C ATOM 1881 O GLN A 122 -7.681 -8.920 14.663 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.430 -10.816 16.414 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.157 -11.793 17.547 1.00 0.00 C ATOM 1884 CD GLN A 122 -5.407 -11.186 18.913 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -6.138 -11.747 19.730 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -4.800 -10.033 19.170 1.00 0.00 N ATOM 0 H GLN A 122 -8.055 -11.260 15.434 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.808 -9.634 17.562 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.434 -11.360 15.469 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.615 -10.095 16.363 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.789 -12.673 17.423 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.123 -12.132 17.488 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.203 -9.603 18.464 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.931 -9.578 20.073 1.00 0.00 H new ATOM 1895 N THR A 123 -5.910 -7.969 15.673 1.00 0.00 N ATOM 1896 CA THR A 123 -5.867 -6.828 14.767 1.00 0.00 C ATOM 1897 C THR A 123 -4.443 -6.551 14.299 1.00 0.00 C ATOM 1898 O THR A 123 -3.691 -5.835 14.960 1.00 0.00 O ATOM 1899 CB THR A 123 -6.433 -5.560 15.433 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.714 -5.840 16.010 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.562 -4.430 14.423 1.00 0.00 C ATOM 0 H THR A 123 -5.191 -7.960 16.397 1.00 0.00 H new ATOM 0 HA THR A 123 -6.486 -7.084 13.907 1.00 0.00 H new ATOM 0 HB THR A 123 -5.742 -5.248 16.217 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.067 -5.029 16.433 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.964 -3.545 14.916 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.581 -4.200 14.007 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.234 -4.734 13.620 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.080 -7.120 13.155 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.745 -6.935 12.599 1.00 0.00 C ATOM 1911 C TYR A 124 -2.659 -5.632 11.809 1.00 0.00 C ATOM 1912 O TYR A 124 -3.456 -5.391 10.902 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.375 -8.115 11.700 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.564 -9.462 12.361 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.941 -9.760 13.566 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.366 -10.437 11.779 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -2.109 -10.989 14.173 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.541 -11.669 12.380 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.910 -11.940 13.576 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.082 -13.166 14.178 1.00 0.00 O ATOM 0 H TYR A 124 -4.692 -7.713 12.594 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.039 -6.884 13.428 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.981 -8.075 10.795 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.334 -8.014 11.392 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.314 -9.017 14.037 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.860 -10.228 10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.616 -11.204 15.110 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.168 -12.415 11.916 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.676 -13.720 13.629 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.688 -4.798 12.160 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.497 -3.520 11.484 1.00 0.00 C ATOM 1932 C TRP A 125 -0.238 -3.542 10.624 1.00 0.00 C ATOM 1933 O TRP A 125 0.870 -3.712 11.133 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.410 -2.386 12.507 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.712 -2.107 13.196 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.066 -2.482 14.461 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.832 -1.397 12.657 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.339 -2.047 14.741 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.830 -1.378 13.651 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.088 -0.773 11.433 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.063 -0.760 13.455 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.311 -0.161 11.241 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.286 -0.157 12.247 1.00 0.00 C ATOM 0 H TRP A 125 -1.020 -4.983 12.909 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.356 -3.349 10.835 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.658 -2.638 13.255 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.071 -1.479 12.006 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.438 -3.038 15.141 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.837 -2.198 15.618 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.343 -0.769 10.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.816 -0.757 14.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.520 0.323 10.298 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.232 0.331 12.066 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.415 -3.369 9.319 1.00 0.00 N ATOM 1955 CA ASP A 126 0.707 -3.368 8.388 1.00 0.00 C ATOM 1956 C ASP A 126 0.661 -2.141 7.483 1.00 0.00 C ATOM 1957 O ASP A 126 -0.068 -2.116 6.491 1.00 0.00 O ATOM 1958 CB ASP A 126 0.697 -4.642 7.542 1.00 0.00 C ATOM 1959 CG ASP A 126 2.078 -5.013 7.037 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.484 -4.487 5.980 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.752 -5.828 7.700 1.00 0.00 O ATOM 0 H ASP A 126 -1.326 -3.228 8.882 1.00 0.00 H new ATOM 0 HA ASP A 126 1.629 -3.334 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.297 -5.465 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.027 -4.505 6.693 1.00 0.00 H new ATOM 1966 N SER A 127 1.444 -1.125 7.831 1.00 0.00 N ATOM 1967 CA SER A 127 1.489 0.107 7.053 1.00 0.00 C ATOM 1968 C SER A 127 2.919 0.435 6.636 1.00 0.00 C ATOM 1969 O SER A 127 3.686 1.010 7.407 1.00 0.00 O ATOM 1970 CB SER A 127 0.903 1.267 7.860 1.00 0.00 C ATOM 1971 OG SER A 127 1.624 1.466 9.064 1.00 0.00 O ATOM 0 H SER A 127 2.056 -1.131 8.647 1.00 0.00 H new ATOM 0 HA SER A 127 0.891 -0.039 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 127 0.927 2.179 7.263 1.00 0.00 H new ATOM 0 HB3 SER A 127 -0.143 1.063 8.088 1.00 0.00 H new ATOM 0 HG SER A 127 2.177 2.272 8.985 1.00 0.00 H new ATOM 1977 N ASN A 128 3.271 0.063 5.409 1.00 0.00 N ATOM 1978 CA ASN A 128 4.609 0.316 4.888 1.00 0.00 C ATOM 1979 C ASN A 128 5.661 -0.424 5.708 1.00 0.00 C ATOM 1980 O ASN A 128 6.744 0.101 5.967 1.00 0.00 O ATOM 1981 CB ASN A 128 4.906 1.817 4.894 1.00 0.00 C ATOM 1982 CG ASN A 128 6.332 2.126 4.481 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.973 1.339 3.785 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.836 3.277 4.911 1.00 0.00 N ATOM 0 H ASN A 128 2.648 -0.415 4.758 1.00 0.00 H new ATOM 0 HA ASN A 128 4.648 -0.052 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 128 4.217 2.324 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.725 2.216 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.791 3.539 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.268 3.899 5.486 1.00 0.00 H new ATOM 1991 N ARG A 129 5.334 -1.647 6.114 1.00 0.00 N ATOM 1992 CA ARG A 129 6.250 -2.460 6.905 1.00 0.00 C ATOM 1993 C ARG A 129 7.116 -1.583 7.805 1.00 0.00 C ATOM 1994 O ARG A 129 8.311 -1.829 7.965 1.00 0.00 O ATOM 1995 CB ARG A 129 7.139 -3.303 5.989 1.00 0.00 C ATOM 1996 CG ARG A 129 6.383 -4.380 5.228 1.00 0.00 C ATOM 1997 CD ARG A 129 7.213 -4.942 4.085 1.00 0.00 C ATOM 1998 NE ARG A 129 7.562 -3.915 3.107 1.00 0.00 N ATOM 1999 CZ ARG A 129 8.660 -3.171 3.183 1.00 0.00 C ATOM 2000 NH1 ARG A 129 9.510 -3.339 4.186 1.00 0.00 N ATOM 2001 NH2 ARG A 129 8.909 -2.257 2.253 1.00 0.00 N ATOM 0 H ARG A 129 4.442 -2.096 5.908 1.00 0.00 H new ATOM 0 HA ARG A 129 5.656 -3.123 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.636 -2.647 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 129 7.920 -3.773 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.109 -5.185 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 129 5.455 -3.966 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.124 -5.388 4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.658 -5.739 3.591 1.00 0.00 H new ATOM 0 HE ARG A 129 6.928 -3.761 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.322 -4.041 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.352 -2.766 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 129 8.257 -2.126 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 129 9.752 -1.686 2.312 1.00 0.00 H new ATOM 2015 N GLY A 130 6.503 -0.559 8.392 1.00 0.00 N ATOM 2016 CA GLY A 130 7.233 0.338 9.268 1.00 0.00 C ATOM 2017 C GLY A 130 6.377 1.488 9.762 1.00 0.00 C ATOM 2018 O GLY A 130 5.646 1.352 10.743 1.00 0.00 O ATOM 0 H GLY A 130 5.515 -0.335 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.612 -0.222 10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.099 0.735 8.737 1.00 0.00 H new ATOM 2022 N LYS A 131 6.469 2.626 9.083 1.00 0.00 N ATOM 2023 CA LYS A 131 5.699 3.806 9.457 1.00 0.00 C ATOM 2024 C LYS A 131 4.407 3.892 8.650 1.00 0.00 C ATOM 2025 O LYS A 131 3.316 3.704 9.186 1.00 0.00 O ATOM 2026 CB LYS A 131 6.530 5.073 9.244 1.00 0.00 C ATOM 2027 CG LYS A 131 7.775 5.136 10.113 1.00 0.00 C ATOM 2028 CD LYS A 131 8.149 6.571 10.447 1.00 0.00 C ATOM 2029 CE LYS A 131 9.408 6.634 11.298 1.00 0.00 C ATOM 2030 NZ LYS A 131 9.111 6.434 12.744 1.00 0.00 N ATOM 0 H LYS A 131 7.070 2.756 8.269 1.00 0.00 H new ATOM 0 HA LYS A 131 5.443 3.720 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.825 5.132 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.908 5.944 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.605 4.579 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.605 4.653 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.303 7.132 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.325 7.049 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.111 5.872 10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.894 7.600 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.995 6.484 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.460 7.176 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.671 5.502 12.882 1.00 0.00 H new ATOM 2044 N ASN A 132 4.540 4.174 7.358 1.00 0.00 N ATOM 2045 CA ASN A 132 3.383 4.283 6.477 1.00 0.00 C ATOM 2046 C ASN A 132 3.819 4.500 5.031 1.00 0.00 C ATOM 2047 O ASN A 132 4.931 4.960 4.769 1.00 0.00 O ATOM 2048 CB ASN A 132 2.480 5.433 6.927 1.00 0.00 C ATOM 2049 CG ASN A 132 3.261 6.571 7.555 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.414 6.817 7.200 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.636 7.270 8.494 1.00 0.00 N ATOM 0 H ASN A 132 5.437 4.331 6.898 1.00 0.00 H new ATOM 0 HA ASN A 132 2.825 3.348 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.921 5.809 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 132 1.750 5.058 7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.112 8.047 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.680 7.031 8.757 1.00 0.00 H new ATOM 2058 N TYR A 133 2.936 4.166 4.096 1.00 0.00 N ATOM 2059 CA TYR A 133 3.230 4.322 2.677 1.00 0.00 C ATOM 2060 C TYR A 133 3.101 5.781 2.251 1.00 0.00 C ATOM 2061 O TYR A 133 2.005 6.340 2.235 1.00 0.00 O ATOM 2062 CB TYR A 133 2.291 3.450 1.841 1.00 0.00 C ATOM 2063 CG TYR A 133 2.586 1.971 1.945 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.745 1.433 1.399 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.704 1.110 2.588 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.018 0.082 1.491 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.970 -0.242 2.686 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.128 -0.751 2.136 1.00 0.00 C ATOM 2069 OH TYR A 133 3.395 -2.098 2.230 1.00 0.00 O ATOM 0 H TYR A 133 2.011 3.786 4.296 1.00 0.00 H new ATOM 0 HA TYR A 133 4.258 4.003 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.264 3.630 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.361 3.753 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.445 2.082 0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.795 1.505 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.923 -0.320 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.275 -0.897 3.191 1.00 0.00 H new ATOM 0 HH TYR A 133 2.669 -2.542 2.715 1.00 0.00 H new ATOM 2079 N ARG A 134 4.230 6.392 1.906 1.00 0.00 N ATOM 2080 CA ARG A 134 4.245 7.786 1.480 1.00 0.00 C ATOM 2081 C ARG A 134 3.973 7.900 -0.017 1.00 0.00 C ATOM 2082 O ARG A 134 4.676 7.304 -0.833 1.00 0.00 O ATOM 2083 CB ARG A 134 5.592 8.429 1.815 1.00 0.00 C ATOM 2084 CG ARG A 134 6.788 7.588 1.401 1.00 0.00 C ATOM 2085 CD ARG A 134 8.025 8.446 1.184 1.00 0.00 C ATOM 2086 NE ARG A 134 8.440 9.128 2.407 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.613 9.736 2.547 1.00 0.00 C ATOM 2088 NH1 ARG A 134 10.481 9.748 1.545 1.00 0.00 N ATOM 2089 NH2 ARG A 134 9.918 10.335 3.691 1.00 0.00 N ATOM 0 H ARG A 134 5.146 5.943 1.913 1.00 0.00 H new ATOM 0 HA ARG A 134 3.455 8.312 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.654 9.400 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.641 8.611 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.992 6.841 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 134 6.554 7.047 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 134 8.841 7.820 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.822 9.184 0.408 1.00 0.00 H new ATOM 0 HE ARG A 134 7.794 9.138 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 134 10.249 9.290 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 134 11.381 10.216 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 134 9.252 10.329 4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.819 10.802 3.798 1.00 0.00 H new ATOM 2103 N ILE A 135 2.948 8.669 -0.369 1.00 0.00 N ATOM 2104 CA ILE A 135 2.583 8.862 -1.767 1.00 0.00 C ATOM 2105 C ILE A 135 2.994 10.246 -2.257 1.00 0.00 C ATOM 2106 O ILE A 135 2.335 11.242 -1.956 1.00 0.00 O ATOM 2107 CB ILE A 135 1.069 8.680 -1.985 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.640 7.269 -1.581 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.706 8.957 -3.436 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.857 7.055 -1.631 1.00 0.00 C ATOM 0 H ILE A 135 2.356 9.168 0.295 1.00 0.00 H new ATOM 0 HA ILE A 135 3.117 8.104 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 135 0.537 9.394 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.124 6.548 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.994 7.066 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.367 8.824 -3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.981 9.981 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.244 8.265 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.089 6.033 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.347 7.752 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.215 7.226 -2.646 1.00 0.00 H new ATOM 2122 N ILE A 136 4.084 10.301 -3.014 1.00 0.00 N ATOM 2123 CA ILE A 136 4.580 11.563 -3.548 1.00 0.00 C ATOM 2124 C ILE A 136 4.081 11.793 -4.970 1.00 0.00 C ATOM 2125 O ILE A 136 3.566 10.878 -5.613 1.00 0.00 O ATOM 2126 CB ILE A 136 6.120 11.610 -3.543 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.687 10.581 -4.523 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.653 11.363 -2.139 1.00 0.00 C ATOM 2129 CD1 ILE A 136 8.082 10.910 -5.005 1.00 0.00 C ATOM 0 H ILE A 136 4.641 9.486 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 136 4.198 12.351 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 136 6.439 12.602 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.699 9.602 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.022 10.506 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.742 11.399 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.272 12.130 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 136 6.327 10.382 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.420 10.138 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 136 8.073 11.874 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.760 10.956 -4.153 1.00 0.00 H new ATOM 2141 N ARG A 137 4.238 13.020 -5.456 1.00 0.00 N ATOM 2142 CA ARG A 137 3.803 13.370 -6.803 1.00 0.00 C ATOM 2143 C ARG A 137 4.757 12.797 -7.848 1.00 0.00 C ATOM 2144 O ARG A 137 5.863 12.367 -7.523 1.00 0.00 O ATOM 2145 CB ARG A 137 3.717 14.890 -6.955 1.00 0.00 C ATOM 2146 CG ARG A 137 2.644 15.344 -7.931 1.00 0.00 C ATOM 2147 CD ARG A 137 2.086 16.707 -7.552 1.00 0.00 C ATOM 2148 NE ARG A 137 1.027 16.606 -6.552 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.232 16.749 -5.247 1.00 0.00 C ATOM 2150 NH1 ARG A 137 2.451 16.999 -4.788 1.00 0.00 N ATOM 2151 NH2 ARG A 137 0.217 16.643 -4.399 1.00 0.00 N ATOM 0 H ARG A 137 4.663 13.788 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 137 2.815 12.939 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.520 15.334 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.683 15.269 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.061 15.387 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.837 14.612 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 137 2.890 17.333 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.697 17.200 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 137 0.078 16.415 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 137 3.233 17.082 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.606 17.108 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.722 16.452 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.376 16.753 -3.397 1.00 0.00 H new ATOM 2165 N ALA A 138 4.319 12.796 -9.103 1.00 0.00 N ATOM 2166 CA ALA A 138 5.133 12.278 -10.195 1.00 0.00 C ATOM 2167 C ALA A 138 6.258 13.245 -10.548 1.00 0.00 C ATOM 2168 O ALA A 138 7.362 12.827 -10.893 1.00 0.00 O ATOM 2169 CB ALA A 138 4.267 12.005 -11.415 1.00 0.00 C ATOM 0 H ALA A 138 3.405 13.148 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 138 5.584 11.342 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.888 11.618 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.503 11.270 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.789 12.930 -11.736 1.00 0.00 H new ATOM 2175 N GLU A 139 5.968 14.539 -10.459 1.00 0.00 N ATOM 2176 CA GLU A 139 6.956 15.565 -10.772 1.00 0.00 C ATOM 2177 C GLU A 139 8.118 15.522 -9.782 1.00 0.00 C ATOM 2178 O GLU A 139 9.279 15.407 -10.175 1.00 0.00 O ATOM 2179 CB GLU A 139 6.308 16.951 -10.753 1.00 0.00 C ATOM 2180 CG GLU A 139 5.701 17.321 -9.410 1.00 0.00 C ATOM 2181 CD GLU A 139 4.801 18.539 -9.493 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.196 18.757 -10.564 1.00 0.00 O ATOM 2183 OE2 GLU A 139 4.702 19.274 -8.488 1.00 0.00 O ATOM 0 H GLU A 139 5.058 14.902 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 139 7.344 15.366 -11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 139 7.057 17.696 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.531 16.990 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 139 5.128 16.476 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 139 6.501 17.513 -8.694 1.00 0.00 H new