USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 962 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 68 LYS NZ :NH3+ 169:sc= -0.726 (180deg=-0.912!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.461 X(o=-1.2,f=-1) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -161:sc= -0.249 (180deg=-1.12!) USER MOD Set 2.2: A 54 TYR OH : rot 130:sc= 1.08 USER MOD Set 2.3: A 62 LYS NZ :NH3+ -153:sc= 1.4 (180deg=-0.632) USER MOD Single : A 16 GLN : amide:sc= -17.2! C(o=-17!,f=-17!) USER MOD Single : A 18 SER OG : rot 150:sc= -0.0777 USER MOD Single : A 21 TYR OH : rot -171:sc= 0.997 USER MOD Single : A 22 ASN : amide:sc= -2.68! C(o=-2.7!,f=-7.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 26 SER OG : rot -28:sc= 1.19 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.234 USER MOD Single : A 47 SER OG : rot 16:sc= 0.0529 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.061) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -5.13! C(o=-5.1!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.8!) USER MOD Single : A 77 ASN : amide:sc= -1.54 K(o=-1.5,f=0.011!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00249) USER MOD Single : A 92 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 96 TYR OH : rot 0:sc= -0.158 USER MOD Single : A 98 GLN : amide:sc= -3! C(o=-3!,f=-2.7!) USER MOD Single : A 115 SER OG : rot -27:sc= -0.0505 USER MOD Single : A 119 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.25) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 125 GLN : amide:sc= -0.972 X(o=-0.97,f=-1.5) USER MOD Single : A 126 MET CE :methyl 144:sc= -0.133 (180deg=-0.741) USER MOD Single : A 127 GLN : amide:sc= -2.96! C(o=-3!,f=-3.7!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 169:sc= -0.0829 (180deg=-0.384) USER MOD Single : A 136 SER OG : rot 0:sc= -0.338 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 16.627 9.861 1.466 1.00 0.00 N ATOM 131 CA LEU A 12 15.206 9.540 1.386 1.00 0.00 C ATOM 132 C LEU A 12 14.709 8.942 2.698 1.00 0.00 C ATOM 133 O LEU A 12 13.511 8.948 2.980 1.00 0.00 O ATOM 134 CB LEU A 12 14.948 8.564 0.237 1.00 0.00 C ATOM 135 CG LEU A 12 15.873 8.694 -0.974 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.253 10.148 -1.203 1.00 0.00 C ATOM 137 CD2 LEU A 12 17.118 7.838 -0.789 1.00 0.00 C ATOM 0 HA LEU A 12 14.659 10.464 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.030 7.548 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.920 8.695 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 12 15.338 8.337 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.911 10.220 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.353 10.736 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.768 10.532 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.764 7.943 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.654 8.164 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.828 6.793 -0.676 1.00 0.00 H new ATOM 149 N GLY A 13 15.637 8.426 3.498 1.00 0.00 N ATOM 150 CA GLY A 13 15.274 7.833 4.771 1.00 0.00 C ATOM 151 C GLY A 13 14.860 6.381 4.637 1.00 0.00 C ATOM 152 O GLY A 13 15.331 5.674 3.746 1.00 0.00 O ATOM 0 H GLY A 13 16.635 8.408 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.119 7.905 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.456 8.402 5.213 1.00 0.00 H new ATOM 156 N ARG A 14 13.978 5.934 5.526 1.00 0.00 N ATOM 157 CA ARG A 14 13.504 4.556 5.505 1.00 0.00 C ATOM 158 C ARG A 14 11.995 4.497 5.721 1.00 0.00 C ATOM 159 O ARG A 14 11.407 5.403 6.313 1.00 0.00 O ATOM 160 CB ARG A 14 14.217 3.732 6.579 1.00 0.00 C ATOM 161 CG ARG A 14 13.936 4.206 7.996 1.00 0.00 C ATOM 162 CD ARG A 14 14.996 3.714 8.968 1.00 0.00 C ATOM 163 NE ARG A 14 14.867 4.340 10.281 1.00 0.00 N ATOM 164 CZ ARG A 14 15.725 4.144 11.276 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.769 3.344 11.108 1.00 0.00 N ATOM 166 NH2 ARG A 14 15.540 4.749 12.442 1.00 0.00 N ATOM 0 H ARG A 14 13.578 6.507 6.269 1.00 0.00 H new ATOM 0 HA ARG A 14 13.730 4.135 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.913 2.689 6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.291 3.768 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.900 5.295 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.956 3.849 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.917 2.632 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.986 3.924 8.562 1.00 0.00 H new ATOM 0 HE ARG A 14 14.075 4.962 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.915 2.877 10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.426 3.195 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.738 5.365 12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.199 4.598 13.205 1.00 0.00 H new ATOM 180 N ILE A 15 11.374 3.426 5.237 1.00 0.00 N ATOM 181 CA ILE A 15 9.934 3.250 5.378 1.00 0.00 C ATOM 182 C ILE A 15 9.610 1.989 6.173 1.00 0.00 C ATOM 183 O ILE A 15 10.352 1.008 6.128 1.00 0.00 O ATOM 184 CB ILE A 15 9.240 3.170 4.006 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.730 2.999 4.184 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.815 2.025 3.187 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.937 3.284 2.927 1.00 0.00 C ATOM 0 H ILE A 15 11.846 2.668 4.744 1.00 0.00 H new ATOM 0 HA ILE A 15 9.560 4.122 5.915 1.00 0.00 H new ATOM 0 HB ILE A 15 9.421 4.101 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.524 1.980 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.388 3.663 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.314 1.982 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.882 2.186 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.661 1.085 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.875 3.143 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.113 4.312 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.251 2.602 2.136 1.00 0.00 H new ATOM 199 N GLN A 16 8.497 2.023 6.898 1.00 0.00 N ATOM 200 CA GLN A 16 8.075 0.882 7.702 1.00 0.00 C ATOM 201 C GLN A 16 6.648 0.471 7.355 1.00 0.00 C ATOM 202 O GLN A 16 5.766 1.316 7.204 1.00 0.00 O ATOM 203 CB GLN A 16 8.174 1.217 9.192 1.00 0.00 C ATOM 204 CG GLN A 16 7.556 0.161 10.095 1.00 0.00 C ATOM 205 CD GLN A 16 8.539 -0.928 10.477 1.00 0.00 C ATOM 206 OE1 GLN A 16 9.411 -1.297 9.690 1.00 0.00 O ATOM 207 NE2 GLN A 16 8.403 -1.448 11.691 1.00 0.00 N ATOM 0 H GLN A 16 7.872 2.827 6.945 1.00 0.00 H new ATOM 0 HA GLN A 16 8.739 0.047 7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.223 1.342 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.682 2.172 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.178 0.638 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.701 -0.288 9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.666 -1.112 12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.036 -2.184 12.004 1.00 0.00 H new ATOM 216 N PHE A 17 6.427 -0.834 7.231 1.00 0.00 N ATOM 217 CA PHE A 17 5.107 -1.358 6.900 1.00 0.00 C ATOM 218 C PHE A 17 5.025 -2.852 7.199 1.00 0.00 C ATOM 219 O PHE A 17 6.018 -3.573 7.093 1.00 0.00 O ATOM 220 CB PHE A 17 4.789 -1.103 5.426 1.00 0.00 C ATOM 221 CG PHE A 17 5.768 -1.741 4.481 1.00 0.00 C ATOM 222 CD1 PHE A 17 5.587 -3.046 4.053 1.00 0.00 C ATOM 223 CD2 PHE A 17 6.868 -1.034 4.022 1.00 0.00 C ATOM 224 CE1 PHE A 17 6.487 -3.635 3.185 1.00 0.00 C ATOM 225 CE2 PHE A 17 7.771 -1.618 3.154 1.00 0.00 C ATOM 226 CZ PHE A 17 7.579 -2.920 2.734 1.00 0.00 C ATOM 0 H PHE A 17 7.145 -1.548 7.355 1.00 0.00 H new ATOM 0 HA PHE A 17 4.372 -0.841 7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.789 -1.478 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.772 -0.028 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.734 -3.609 4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.021 -0.015 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.336 -4.654 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.625 -1.057 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.282 -3.378 2.054 1.00 0.00 H new ATOM 236 N SER A 18 3.835 -3.311 7.572 1.00 0.00 N ATOM 237 CA SER A 18 3.623 -4.718 7.890 1.00 0.00 C ATOM 238 C SER A 18 2.816 -5.407 6.794 1.00 0.00 C ATOM 239 O SER A 18 1.954 -4.795 6.164 1.00 0.00 O ATOM 240 CB SER A 18 2.902 -4.856 9.233 1.00 0.00 C ATOM 241 OG SER A 18 3.206 -6.095 9.850 1.00 0.00 O ATOM 0 H SER A 18 3.002 -2.729 7.661 1.00 0.00 H new ATOM 0 HA SER A 18 4.598 -5.201 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.193 -4.037 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.826 -4.776 9.081 1.00 0.00 H new ATOM 0 HG SER A 18 3.168 -5.993 10.824 1.00 0.00 H new ATOM 247 N VAL A 19 3.103 -6.686 6.573 1.00 0.00 N ATOM 248 CA VAL A 19 2.404 -7.461 5.554 1.00 0.00 C ATOM 249 C VAL A 19 1.853 -8.759 6.133 1.00 0.00 C ATOM 250 O VAL A 19 2.539 -9.460 6.875 1.00 0.00 O ATOM 251 CB VAL A 19 3.330 -7.792 4.368 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.679 -8.819 3.453 1.00 0.00 C ATOM 253 CG2 VAL A 19 3.682 -6.528 3.599 1.00 0.00 C ATOM 0 H VAL A 19 3.814 -7.207 7.086 1.00 0.00 H new ATOM 0 HA VAL A 19 1.577 -6.846 5.199 1.00 0.00 H new ATOM 0 HB VAL A 19 4.253 -8.221 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.347 -9.041 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.482 -9.733 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.740 -8.420 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.337 -6.780 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.770 -6.068 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.192 -5.829 4.262 1.00 0.00 H new ATOM 263 N GLY A 20 0.609 -9.074 5.786 1.00 0.00 N ATOM 264 CA GLY A 20 -0.014 -10.289 6.280 1.00 0.00 C ATOM 265 C GLY A 20 -1.303 -10.616 5.552 1.00 0.00 C ATOM 266 O GLY A 20 -2.246 -9.825 5.560 1.00 0.00 O ATOM 0 H GLY A 20 0.021 -8.510 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.682 -11.121 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.219 -10.182 7.345 1.00 0.00 H new ATOM 270 N TYR A 21 -1.343 -11.784 4.921 1.00 0.00 N ATOM 271 CA TYR A 21 -2.525 -12.213 4.182 1.00 0.00 C ATOM 272 C TYR A 21 -3.403 -13.121 5.038 1.00 0.00 C ATOM 273 O TYR A 21 -2.931 -13.743 5.988 1.00 0.00 O ATOM 274 CB TYR A 21 -2.115 -12.941 2.901 1.00 0.00 C ATOM 275 CG TYR A 21 -3.253 -13.136 1.925 1.00 0.00 C ATOM 276 CD1 TYR A 21 -4.135 -14.201 2.059 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.446 -12.254 0.868 1.00 0.00 C ATOM 278 CE1 TYR A 21 -5.175 -14.383 1.168 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.484 -12.428 -0.026 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.346 -13.494 0.128 1.00 0.00 C ATOM 281 OH TYR A 21 -6.382 -13.671 -0.761 1.00 0.00 O ATOM 0 H TYR A 21 -0.571 -12.451 4.906 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.100 -11.325 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.320 -12.378 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.701 -13.915 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.005 -14.898 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.773 -11.419 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.851 -15.217 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.620 -11.733 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.284 -13.043 -1.507 1.00 0.00 H new ATOM 291 N ASN A 22 -4.685 -13.191 4.692 1.00 0.00 N ATOM 292 CA ASN A 22 -5.631 -14.022 5.427 1.00 0.00 C ATOM 293 C ASN A 22 -6.261 -15.068 4.513 1.00 0.00 C ATOM 294 O ASN A 22 -6.764 -14.745 3.437 1.00 0.00 O ATOM 295 CB ASN A 22 -6.722 -13.154 6.057 1.00 0.00 C ATOM 296 CG ASN A 22 -7.495 -13.889 7.135 1.00 0.00 C ATOM 297 OD1 ASN A 22 -7.429 -15.114 7.236 1.00 0.00 O ATOM 298 ND2 ASN A 22 -8.232 -13.141 7.948 1.00 0.00 N ATOM 0 H ASN A 22 -5.092 -12.682 3.907 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.086 -14.538 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.269 -12.259 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.412 -12.822 5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.773 -13.579 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.257 -12.128 7.827 1.00 0.00 H new ATOM 305 N PHE A 23 -6.229 -16.323 4.949 1.00 0.00 N ATOM 306 CA PHE A 23 -6.797 -17.417 4.170 1.00 0.00 C ATOM 307 C PHE A 23 -8.321 -17.407 4.247 1.00 0.00 C ATOM 308 O PHE A 23 -8.998 -17.061 3.280 1.00 0.00 O ATOM 309 CB PHE A 23 -6.259 -18.760 4.669 1.00 0.00 C ATOM 310 CG PHE A 23 -4.759 -18.838 4.682 1.00 0.00 C ATOM 311 CD1 PHE A 23 -4.002 -17.994 3.885 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.106 -19.754 5.490 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.622 -18.064 3.894 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.726 -19.828 5.504 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.983 -18.981 4.705 1.00 0.00 C ATOM 0 H PHE A 23 -5.816 -16.608 5.837 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.503 -17.279 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.633 -18.940 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.651 -19.557 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.496 -17.274 3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.682 -20.419 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.043 -17.402 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.229 -20.547 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.904 -19.036 4.715 1.00 0.00 H new ATOM 325 N GLN A 24 -8.851 -17.788 5.404 1.00 0.00 N ATOM 326 CA GLN A 24 -10.295 -17.824 5.607 1.00 0.00 C ATOM 327 C GLN A 24 -10.961 -16.598 4.993 1.00 0.00 C ATOM 328 O GLN A 24 -12.013 -16.702 4.363 1.00 0.00 O ATOM 329 CB GLN A 24 -10.619 -17.902 7.100 1.00 0.00 C ATOM 330 CG GLN A 24 -10.177 -19.202 7.752 1.00 0.00 C ATOM 331 CD GLN A 24 -11.059 -19.598 8.920 1.00 0.00 C ATOM 332 OE1 GLN A 24 -12.273 -19.744 8.775 1.00 0.00 O ATOM 333 NE2 GLN A 24 -10.451 -19.774 10.088 1.00 0.00 N ATOM 0 H GLN A 24 -8.303 -18.076 6.215 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.685 -18.713 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.139 -17.067 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.694 -17.784 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.186 -19.999 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.148 -19.100 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.442 -19.642 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.993 -20.041 10.910 1.00 0.00 H new ATOM 342 N GLU A 25 -10.342 -15.437 5.182 1.00 0.00 N ATOM 343 CA GLU A 25 -10.877 -14.190 4.647 1.00 0.00 C ATOM 344 C GLU A 25 -10.441 -13.988 3.199 1.00 0.00 C ATOM 345 O GLU A 25 -11.108 -13.297 2.429 1.00 0.00 O ATOM 346 CB GLU A 25 -10.419 -13.005 5.499 1.00 0.00 C ATOM 347 CG GLU A 25 -11.348 -12.696 6.661 1.00 0.00 C ATOM 348 CD GLU A 25 -12.600 -11.959 6.227 1.00 0.00 C ATOM 349 OE1 GLU A 25 -12.509 -11.134 5.294 1.00 0.00 O ATOM 350 OE2 GLU A 25 -13.671 -12.207 6.819 1.00 0.00 O ATOM 0 H GLU A 25 -9.470 -15.334 5.701 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.965 -14.250 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.422 -13.211 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.338 -12.122 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.631 -13.627 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.815 -12.096 7.398 1.00 0.00 H new ATOM 357 N SER A 26 -9.317 -14.597 2.835 1.00 0.00 N ATOM 358 CA SER A 26 -8.788 -14.481 1.481 1.00 0.00 C ATOM 359 C SER A 26 -8.579 -13.018 1.103 1.00 0.00 C ATOM 360 O SER A 26 -9.001 -12.573 0.035 1.00 0.00 O ATOM 361 CB SER A 26 -9.737 -15.147 0.482 1.00 0.00 C ATOM 362 OG SER A 26 -10.264 -16.353 1.006 1.00 0.00 O ATOM 0 H SER A 26 -8.755 -15.176 3.459 1.00 0.00 H new ATOM 0 HA SER A 26 -7.823 -14.988 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.552 -14.465 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.206 -15.352 -0.448 1.00 0.00 H new ATOM 0 HG SER A 26 -9.627 -16.739 1.642 1.00 0.00 H new ATOM 368 N THR A 27 -7.923 -12.272 1.987 1.00 0.00 N ATOM 369 CA THR A 27 -7.658 -10.859 1.749 1.00 0.00 C ATOM 370 C THR A 27 -6.256 -10.478 2.211 1.00 0.00 C ATOM 371 O THR A 27 -5.712 -11.077 3.139 1.00 0.00 O ATOM 372 CB THR A 27 -8.685 -9.965 2.470 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.007 -10.475 2.266 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.604 -8.533 1.965 1.00 0.00 C ATOM 0 H THR A 27 -7.565 -12.624 2.875 1.00 0.00 H new ATOM 0 HA THR A 27 -7.740 -10.698 0.674 1.00 0.00 H new ATOM 0 HB THR A 27 -8.455 -9.971 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.654 -9.902 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.338 -7.921 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.605 -8.138 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.811 -8.512 0.895 1.00 0.00 H new ATOM 382 N LEU A 28 -5.676 -9.477 1.558 1.00 0.00 N ATOM 383 CA LEU A 28 -4.336 -9.014 1.902 1.00 0.00 C ATOM 384 C LEU A 28 -4.399 -7.798 2.821 1.00 0.00 C ATOM 385 O LEU A 28 -5.175 -6.870 2.590 1.00 0.00 O ATOM 386 CB LEU A 28 -3.552 -8.669 0.634 1.00 0.00 C ATOM 387 CG LEU A 28 -2.092 -8.262 0.837 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.209 -9.493 0.973 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.618 -7.387 -0.314 1.00 0.00 C ATOM 0 H LEU A 28 -6.112 -8.971 0.788 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.825 -9.819 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.579 -9.532 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.067 -7.856 0.122 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.020 -7.685 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.174 -9.184 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.535 -10.081 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.285 -10.097 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.577 -7.107 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.705 -7.939 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.232 -6.488 -0.364 1.00 0.00 H new ATOM 401 N THR A 29 -3.575 -7.808 3.865 1.00 0.00 N ATOM 402 CA THR A 29 -3.536 -6.707 4.818 1.00 0.00 C ATOM 403 C THR A 29 -2.194 -5.985 4.771 1.00 0.00 C ATOM 404 O THR A 29 -1.154 -6.569 5.074 1.00 0.00 O ATOM 405 CB THR A 29 -3.792 -7.198 6.256 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.047 -7.885 6.323 1.00 0.00 O ATOM 407 CG2 THR A 29 -3.792 -6.034 7.234 1.00 0.00 C ATOM 0 H THR A 29 -2.926 -8.567 4.071 1.00 0.00 H new ATOM 0 HA THR A 29 -4.328 -6.015 4.532 1.00 0.00 H new ATOM 0 HB THR A 29 -2.989 -7.882 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.202 -8.195 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.975 -6.406 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.825 -5.532 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.576 -5.328 6.960 1.00 0.00 H new ATOM 415 N VAL A 30 -2.225 -4.712 4.390 1.00 0.00 N ATOM 416 CA VAL A 30 -1.010 -3.910 4.305 1.00 0.00 C ATOM 417 C VAL A 30 -1.112 -2.665 5.178 1.00 0.00 C ATOM 418 O VAL A 30 -1.846 -1.728 4.861 1.00 0.00 O ATOM 419 CB VAL A 30 -0.720 -3.484 2.854 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.487 -2.560 2.800 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.505 -4.706 1.973 1.00 0.00 C ATOM 0 H VAL A 30 -3.078 -4.214 4.135 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.192 -4.535 4.663 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.584 -2.938 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.677 -2.269 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.291 -1.670 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.360 -3.078 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.301 -4.386 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.341 -5.281 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.401 -5.327 1.987 1.00 0.00 H new ATOM 431 N LYS A 31 -0.370 -2.659 6.280 1.00 0.00 N ATOM 432 CA LYS A 31 -0.374 -1.528 7.200 1.00 0.00 C ATOM 433 C LYS A 31 0.924 -0.734 7.092 1.00 0.00 C ATOM 434 O LYS A 31 2.016 -1.297 7.178 1.00 0.00 O ATOM 435 CB LYS A 31 -0.568 -2.015 8.638 1.00 0.00 C ATOM 436 CG LYS A 31 -0.321 -0.940 9.682 1.00 0.00 C ATOM 437 CD LYS A 31 -0.649 -1.435 11.081 1.00 0.00 C ATOM 438 CE LYS A 31 -2.148 -1.423 11.338 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.503 -2.162 12.581 1.00 0.00 N ATOM 0 H LYS A 31 0.243 -3.426 6.558 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.203 -0.874 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.584 -2.393 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.106 -2.852 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.722 -0.625 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.928 -0.064 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.265 -2.447 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.147 -0.807 11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.495 -0.393 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.666 -1.870 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.533 -2.131 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.195 -3.152 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.029 -1.720 13.395 1.00 0.00 H new ATOM 453 N ILE A 32 0.798 0.575 6.903 1.00 0.00 N ATOM 454 CA ILE A 32 1.961 1.445 6.786 1.00 0.00 C ATOM 455 C ILE A 32 2.239 2.171 8.098 1.00 0.00 C ATOM 456 O ILE A 32 1.792 3.299 8.302 1.00 0.00 O ATOM 457 CB ILE A 32 1.775 2.486 5.666 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.209 1.820 4.410 1.00 0.00 C ATOM 459 CG2 ILE A 32 3.096 3.174 5.358 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.086 0.715 3.865 1.00 0.00 C ATOM 0 H ILE A 32 -0.098 1.056 6.828 1.00 0.00 H new ATOM 0 HA ILE A 32 2.809 0.806 6.540 1.00 0.00 H new ATOM 0 HB ILE A 32 1.065 3.241 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.224 1.412 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.070 2.577 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.948 3.907 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.462 3.677 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.826 2.432 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.623 0.288 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.064 1.121 3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.204 -0.062 4.620 1.00 0.00 H new ATOM 472 N MET A 33 2.982 1.516 8.984 1.00 0.00 N ATOM 473 CA MET A 33 3.323 2.101 10.276 1.00 0.00 C ATOM 474 C MET A 33 3.518 3.609 10.156 1.00 0.00 C ATOM 475 O MET A 33 2.654 4.390 10.555 1.00 0.00 O ATOM 476 CB MET A 33 4.592 1.454 10.834 1.00 0.00 C ATOM 477 CG MET A 33 4.454 -0.040 11.082 1.00 0.00 C ATOM 478 SD MET A 33 3.626 -0.412 12.639 1.00 0.00 S ATOM 479 CE MET A 33 4.023 -2.148 12.828 1.00 0.00 C ATOM 0 H MET A 33 3.359 0.581 8.831 1.00 0.00 H new ATOM 0 HA MET A 33 2.496 1.913 10.961 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.413 1.624 10.138 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.860 1.946 11.769 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.896 -0.490 10.261 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.444 -0.497 11.083 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.579 -2.525 13.749 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.627 -2.706 11.980 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.105 -2.271 12.870 1.00 0.00 H new ATOM 489 N LYS A 34 4.657 4.012 9.604 1.00 0.00 N ATOM 490 CA LYS A 34 4.965 5.426 9.430 1.00 0.00 C ATOM 491 C LYS A 34 6.278 5.608 8.674 1.00 0.00 C ATOM 492 O LYS A 34 6.920 4.634 8.284 1.00 0.00 O ATOM 493 CB LYS A 34 5.047 6.122 10.790 1.00 0.00 C ATOM 494 CG LYS A 34 6.281 5.748 11.592 1.00 0.00 C ATOM 495 CD LYS A 34 6.229 4.300 12.051 1.00 0.00 C ATOM 496 CE LYS A 34 7.341 3.990 13.042 1.00 0.00 C ATOM 497 NZ LYS A 34 6.927 4.265 14.445 1.00 0.00 N ATOM 0 H LYS A 34 5.383 3.378 9.269 1.00 0.00 H new ATOM 0 HA LYS A 34 4.164 5.877 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.037 7.201 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.158 5.874 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.172 5.907 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.365 6.403 12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.262 4.098 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.315 3.640 11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.630 2.943 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.220 4.587 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.712 4.041 15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.675 5.269 14.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.104 3.677 14.686 1.00 0.00 H new ATOM 511 N ALA A 35 6.670 6.862 8.472 1.00 0.00 N ATOM 512 CA ALA A 35 7.908 7.170 7.767 1.00 0.00 C ATOM 513 C ALA A 35 8.888 7.906 8.674 1.00 0.00 C ATOM 514 O ALA A 35 8.489 8.530 9.657 1.00 0.00 O ATOM 515 CB ALA A 35 7.615 7.997 6.524 1.00 0.00 C ATOM 0 H ALA A 35 6.148 7.680 8.786 1.00 0.00 H new ATOM 0 HA ALA A 35 8.369 6.229 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.548 8.220 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.958 7.436 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.129 8.929 6.813 1.00 0.00 H new ATOM 521 N GLN A 36 10.172 7.826 8.339 1.00 0.00 N ATOM 522 CA GLN A 36 11.209 8.483 9.126 1.00 0.00 C ATOM 523 C GLN A 36 12.397 8.864 8.249 1.00 0.00 C ATOM 524 O GLN A 36 12.720 8.167 7.288 1.00 0.00 O ATOM 525 CB GLN A 36 11.670 7.571 10.263 1.00 0.00 C ATOM 526 CG GLN A 36 10.591 7.294 11.297 1.00 0.00 C ATOM 527 CD GLN A 36 10.342 8.477 12.213 1.00 0.00 C ATOM 528 OE1 GLN A 36 11.142 9.412 12.269 1.00 0.00 O ATOM 529 NE2 GLN A 36 9.229 8.442 12.937 1.00 0.00 N ATOM 0 H GLN A 36 10.519 7.313 7.528 1.00 0.00 H new ATOM 0 HA GLN A 36 10.787 9.394 9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.010 6.625 9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.527 8.027 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.664 7.032 10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.880 6.430 11.896 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.595 7.647 12.859 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.009 9.210 13.571 1.00 0.00 H new ATOM 538 N GLU A 37 13.044 9.975 8.588 1.00 0.00 N ATOM 539 CA GLU A 37 14.197 10.449 7.831 1.00 0.00 C ATOM 540 C GLU A 37 13.787 10.867 6.422 1.00 0.00 C ATOM 541 O GLU A 37 14.485 10.580 5.448 1.00 0.00 O ATOM 542 CB GLU A 37 15.270 9.361 7.759 1.00 0.00 C ATOM 543 CG GLU A 37 15.698 8.837 9.120 1.00 0.00 C ATOM 544 CD GLU A 37 16.317 7.455 9.045 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.204 7.247 8.191 1.00 0.00 O ATOM 546 OE2 GLU A 37 15.915 6.582 9.842 1.00 0.00 O ATOM 0 H GLU A 37 12.789 10.563 9.381 1.00 0.00 H new ATOM 0 HA GLU A 37 14.605 11.319 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.894 8.531 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.143 9.757 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.415 9.529 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.833 8.808 9.782 1.00 0.00 H new ATOM 553 N LEU A 38 12.650 11.547 6.320 1.00 0.00 N ATOM 554 CA LEU A 38 12.145 12.005 5.030 1.00 0.00 C ATOM 555 C LEU A 38 12.646 13.411 4.718 1.00 0.00 C ATOM 556 O LEU A 38 12.601 14.313 5.556 1.00 0.00 O ATOM 557 CB LEU A 38 10.615 11.982 5.022 1.00 0.00 C ATOM 558 CG LEU A 38 9.965 10.603 4.910 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.523 10.729 4.445 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.757 9.715 3.961 1.00 0.00 C ATOM 0 H LEU A 38 12.060 11.793 7.115 1.00 0.00 H new ATOM 0 HA LEU A 38 12.516 11.328 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.260 12.456 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.267 12.594 4.190 1.00 0.00 H new ATOM 0 HG LEU A 38 9.968 10.140 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.077 9.737 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.961 11.328 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.497 11.212 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.280 8.737 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.786 10.174 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.774 9.597 4.336 1.00 0.00 H new ATOM 572 N PRO A 39 13.133 13.606 3.484 1.00 0.00 N ATOM 573 CA PRO A 39 13.649 14.902 3.032 1.00 0.00 C ATOM 574 C PRO A 39 12.544 15.940 2.866 1.00 0.00 C ATOM 575 O PRO A 39 11.369 15.595 2.748 1.00 0.00 O ATOM 576 CB PRO A 39 14.286 14.577 1.678 1.00 0.00 C ATOM 577 CG PRO A 39 13.564 13.364 1.201 1.00 0.00 C ATOM 578 CD PRO A 39 13.217 12.577 2.434 1.00 0.00 C ATOM 0 HA PRO A 39 14.342 15.338 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.173 15.405 0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.355 14.388 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.666 13.637 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.189 12.778 0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.274 12.044 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.979 11.831 2.662 1.00 0.00 H new ATOM 586 N ALA A 40 12.930 17.211 2.856 1.00 0.00 N ATOM 587 CA ALA A 40 11.973 18.299 2.702 1.00 0.00 C ATOM 588 C ALA A 40 12.246 19.095 1.430 1.00 0.00 C ATOM 589 O ALA A 40 12.984 20.081 1.449 1.00 0.00 O ATOM 590 CB ALA A 40 12.012 19.213 3.917 1.00 0.00 C ATOM 0 H ALA A 40 13.900 17.513 2.953 1.00 0.00 H new ATOM 0 HA ALA A 40 10.977 17.864 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.292 20.021 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.760 18.642 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.012 19.632 4.025 1.00 0.00 H new ATOM 668 N THR A 46 9.363 22.010 5.443 1.00 0.00 N ATOM 669 CA THR A 46 8.469 20.869 5.601 1.00 0.00 C ATOM 670 C THR A 46 7.873 20.448 4.263 1.00 0.00 C ATOM 671 O THR A 46 7.850 21.227 3.310 1.00 0.00 O ATOM 672 CB THR A 46 7.326 21.184 6.584 1.00 0.00 C ATOM 673 OG1 THR A 46 6.631 19.980 6.929 1.00 0.00 O ATOM 674 CG2 THR A 46 6.351 22.182 5.979 1.00 0.00 C ATOM 0 HA THR A 46 9.068 20.051 6.002 1.00 0.00 H new ATOM 0 HB THR A 46 7.760 21.623 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.410 19.992 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.553 22.389 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.877 23.108 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.924 21.766 5.067 1.00 0.00 H new ATOM 682 N SER A 47 7.389 19.212 4.199 1.00 0.00 N ATOM 683 CA SER A 47 6.794 18.686 2.976 1.00 0.00 C ATOM 684 C SER A 47 5.609 17.780 3.294 1.00 0.00 C ATOM 685 O SER A 47 5.389 17.409 4.447 1.00 0.00 O ATOM 686 CB SER A 47 7.838 17.914 2.167 1.00 0.00 C ATOM 687 OG SER A 47 8.670 18.797 1.434 1.00 0.00 O ATOM 0 H SER A 47 7.397 18.556 4.980 1.00 0.00 H new ATOM 0 HA SER A 47 6.436 19.528 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.447 17.308 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.338 17.228 1.483 1.00 0.00 H new ATOM 0 HG SER A 47 8.575 19.706 1.788 1.00 0.00 H new ATOM 693 N ASP A 48 4.848 17.428 2.263 1.00 0.00 N ATOM 694 CA ASP A 48 3.685 16.564 2.431 1.00 0.00 C ATOM 695 C ASP A 48 3.959 15.170 1.874 1.00 0.00 C ATOM 696 O ASP A 48 3.594 14.844 0.744 1.00 0.00 O ATOM 697 CB ASP A 48 2.466 17.174 1.737 1.00 0.00 C ATOM 698 CG ASP A 48 2.758 17.581 0.306 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.951 17.692 -0.048 1.00 0.00 O ATOM 700 OD2 ASP A 48 1.794 17.787 -0.460 1.00 0.00 O ATOM 0 H ASP A 48 5.016 17.728 1.303 1.00 0.00 H new ATOM 0 HA ASP A 48 3.479 16.475 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.648 16.454 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.130 18.046 2.298 1.00 0.00 H new ATOM 705 N PRO A 49 4.617 14.328 2.684 1.00 0.00 N ATOM 706 CA PRO A 49 4.954 12.956 2.294 1.00 0.00 C ATOM 707 C PRO A 49 3.724 12.060 2.201 1.00 0.00 C ATOM 708 O PRO A 49 2.713 12.306 2.861 1.00 0.00 O ATOM 709 CB PRO A 49 5.876 12.483 3.421 1.00 0.00 C ATOM 710 CG PRO A 49 5.493 13.313 4.597 1.00 0.00 C ATOM 711 CD PRO A 49 5.082 14.650 4.044 1.00 0.00 C ATOM 0 HA PRO A 49 5.411 12.915 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.740 11.421 3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.925 12.625 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.675 12.852 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.328 13.417 5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.293 15.106 4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.916 15.352 4.028 1.00 0.00 H new ATOM 719 N PHE A 50 3.815 11.021 1.378 1.00 0.00 N ATOM 720 CA PHE A 50 2.708 10.089 1.198 1.00 0.00 C ATOM 721 C PHE A 50 3.183 8.802 0.529 1.00 0.00 C ATOM 722 O PHE A 50 4.034 8.830 -0.360 1.00 0.00 O ATOM 723 CB PHE A 50 1.601 10.733 0.362 1.00 0.00 C ATOM 724 CG PHE A 50 1.993 10.974 -1.068 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.659 12.134 -1.431 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.697 10.041 -2.048 1.00 0.00 C ATOM 727 CE1 PHE A 50 3.021 12.358 -2.746 1.00 0.00 C ATOM 728 CE2 PHE A 50 2.056 10.260 -3.365 1.00 0.00 C ATOM 729 CZ PHE A 50 2.720 11.420 -3.714 1.00 0.00 C ATOM 0 H PHE A 50 4.644 10.803 0.825 1.00 0.00 H new ATOM 0 HA PHE A 50 2.312 9.841 2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.719 10.092 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.318 11.682 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.898 12.871 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.180 9.132 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.539 13.266 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.818 9.525 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.003 11.593 -4.742 1.00 0.00 H new ATOM 739 N VAL A 51 2.628 7.676 0.963 1.00 0.00 N ATOM 740 CA VAL A 51 2.994 6.379 0.407 1.00 0.00 C ATOM 741 C VAL A 51 2.041 5.972 -0.712 1.00 0.00 C ATOM 742 O VAL A 51 0.838 6.225 -0.641 1.00 0.00 O ATOM 743 CB VAL A 51 2.994 5.283 1.490 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.612 4.001 0.953 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.732 5.762 2.731 1.00 0.00 C ATOM 0 H VAL A 51 1.923 7.635 1.699 1.00 0.00 H new ATOM 0 HA VAL A 51 4.002 6.481 0.004 1.00 0.00 H new ATOM 0 HB VAL A 51 1.962 5.071 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.603 3.239 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.037 3.651 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.640 4.194 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.723 4.976 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.763 6.003 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.240 6.651 3.126 1.00 0.00 H new ATOM 755 N LYS A 52 2.586 5.340 -1.745 1.00 0.00 N ATOM 756 CA LYS A 52 1.786 4.895 -2.880 1.00 0.00 C ATOM 757 C LYS A 52 1.843 3.378 -3.025 1.00 0.00 C ATOM 758 O LYS A 52 2.911 2.806 -3.245 1.00 0.00 O ATOM 759 CB LYS A 52 2.276 5.560 -4.168 1.00 0.00 C ATOM 760 CG LYS A 52 1.578 6.873 -4.478 1.00 0.00 C ATOM 761 CD LYS A 52 2.185 7.554 -5.693 1.00 0.00 C ATOM 762 CE LYS A 52 1.151 8.376 -6.447 1.00 0.00 C ATOM 763 NZ LYS A 52 -0.019 7.551 -6.859 1.00 0.00 N ATOM 0 H LYS A 52 3.580 5.124 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 52 0.751 5.186 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.349 5.738 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.127 4.873 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.518 6.690 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.648 7.536 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.005 8.200 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.609 6.802 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.812 9.199 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.612 8.819 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.533 8.035 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.311 6.624 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.653 7.417 -6.046 1.00 0.00 H new ATOM 777 N ILE A 53 0.688 2.732 -2.902 1.00 0.00 N ATOM 778 CA ILE A 53 0.608 1.282 -3.022 1.00 0.00 C ATOM 779 C ILE A 53 0.302 0.865 -4.457 1.00 0.00 C ATOM 780 O ILE A 53 -0.611 1.398 -5.088 1.00 0.00 O ATOM 781 CB ILE A 53 -0.470 0.698 -2.090 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.221 1.142 -0.647 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.488 -0.820 -2.187 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.479 1.208 0.191 1.00 0.00 C ATOM 0 H ILE A 53 -0.205 3.190 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 53 1.581 0.888 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.444 1.074 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.482 0.452 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.253 2.124 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.255 -1.218 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.707 -1.116 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.485 -1.215 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.227 1.530 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.175 1.920 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.943 0.222 0.229 1.00 0.00 H new ATOM 796 N TYR A 54 1.071 -0.091 -4.966 1.00 0.00 N ATOM 797 CA TYR A 54 0.883 -0.579 -6.327 1.00 0.00 C ATOM 798 C TYR A 54 1.125 -2.084 -6.405 1.00 0.00 C ATOM 799 O TYR A 54 2.202 -2.570 -6.056 1.00 0.00 O ATOM 800 CB TYR A 54 1.823 0.150 -7.288 1.00 0.00 C ATOM 801 CG TYR A 54 1.320 1.512 -7.711 1.00 0.00 C ATOM 802 CD1 TYR A 54 1.261 2.565 -6.806 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.904 1.745 -9.016 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.801 3.810 -7.189 1.00 0.00 C ATOM 805 CE2 TYR A 54 0.444 2.988 -9.408 1.00 0.00 C ATOM 806 CZ TYR A 54 0.394 4.016 -8.490 1.00 0.00 C ATOM 807 OH TYR A 54 -0.064 5.256 -8.875 1.00 0.00 O ATOM 0 H TYR A 54 1.830 -0.543 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.148 -0.379 -6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.798 0.263 -6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.970 -0.465 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.580 2.407 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.941 0.941 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.760 4.618 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.126 3.153 -10.427 1.00 0.00 H new ATOM 0 HH TYR A 54 0.398 5.536 -9.693 1.00 0.00 H new ATOM 817 N LEU A 55 0.117 -2.816 -6.865 1.00 0.00 N ATOM 818 CA LEU A 55 0.219 -4.265 -6.990 1.00 0.00 C ATOM 819 C LEU A 55 0.749 -4.657 -8.366 1.00 0.00 C ATOM 820 O LEU A 55 -0.018 -5.016 -9.260 1.00 0.00 O ATOM 821 CB LEU A 55 -1.146 -4.915 -6.753 1.00 0.00 C ATOM 822 CG LEU A 55 -1.531 -5.154 -5.293 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.775 -6.023 -5.205 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.377 -5.792 -4.535 1.00 0.00 C ATOM 0 H LEU A 55 -0.781 -2.430 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 55 0.920 -4.621 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.910 -4.287 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.166 -5.872 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.753 -4.191 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.034 -6.183 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.602 -5.526 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.582 -6.984 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.669 -5.955 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.124 -6.747 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.490 -5.132 -4.569 1.00 0.00 H new ATOM 836 N LEU A 56 2.066 -4.589 -8.527 1.00 0.00 N ATOM 837 CA LEU A 56 2.700 -4.940 -9.793 1.00 0.00 C ATOM 838 C LEU A 56 2.517 -6.422 -10.103 1.00 0.00 C ATOM 839 O LEU A 56 2.402 -7.259 -9.207 1.00 0.00 O ATOM 840 CB LEU A 56 4.190 -4.596 -9.752 1.00 0.00 C ATOM 841 CG LEU A 56 4.547 -3.221 -9.184 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.983 -3.206 -8.684 1.00 0.00 C ATOM 843 CD2 LEU A 56 4.334 -2.139 -10.233 1.00 0.00 C ATOM 0 H LEU A 56 2.715 -4.294 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 56 2.221 -4.362 -10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.701 -5.355 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.586 -4.662 -10.766 1.00 0.00 H new ATOM 0 HG LEU A 56 3.888 -3.016 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.219 -2.220 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.103 -3.954 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.658 -3.433 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.593 -1.168 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.967 -2.340 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.289 -2.133 -10.543 1.00 0.00 H new ATOM 855 N PRO A 57 2.492 -6.757 -11.401 1.00 0.00 N ATOM 856 CA PRO A 57 2.627 -5.770 -12.476 1.00 0.00 C ATOM 857 C PRO A 57 1.407 -4.861 -12.586 1.00 0.00 C ATOM 858 O PRO A 57 1.536 -3.638 -12.651 1.00 0.00 O ATOM 859 CB PRO A 57 2.766 -6.632 -13.734 1.00 0.00 C ATOM 860 CG PRO A 57 2.092 -7.915 -13.390 1.00 0.00 C ATOM 861 CD PRO A 57 2.328 -8.126 -11.920 1.00 0.00 C ATOM 0 HA PRO A 57 3.468 -5.098 -12.308 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.295 -6.156 -14.594 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.813 -6.791 -13.991 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.026 -7.867 -13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.502 -8.740 -13.973 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.489 -8.637 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.215 -8.734 -11.738 1.00 0.00 H new ATOM 869 N ASP A 58 0.225 -5.466 -12.605 1.00 0.00 N ATOM 870 CA ASP A 58 -1.019 -4.711 -12.705 1.00 0.00 C ATOM 871 C ASP A 58 -0.892 -3.360 -12.008 1.00 0.00 C ATOM 872 O ASP A 58 -0.531 -3.286 -10.833 1.00 0.00 O ATOM 873 CB ASP A 58 -2.174 -5.506 -12.095 1.00 0.00 C ATOM 874 CG ASP A 58 -2.146 -5.498 -10.580 1.00 0.00 C ATOM 875 OD1 ASP A 58 -2.524 -4.468 -9.985 1.00 0.00 O ATOM 876 OD2 ASP A 58 -1.745 -6.523 -9.988 1.00 0.00 O ATOM 0 H ASP A 58 0.102 -6.477 -12.552 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.226 -4.537 -13.761 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.120 -5.089 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.130 -6.535 -12.451 1.00 0.00 H new ATOM 881 N LYS A 59 -1.189 -2.292 -12.740 1.00 0.00 N ATOM 882 CA LYS A 59 -1.109 -0.942 -12.194 1.00 0.00 C ATOM 883 C LYS A 59 -2.472 -0.258 -12.230 1.00 0.00 C ATOM 884 O LYS A 59 -2.587 0.935 -11.948 1.00 0.00 O ATOM 885 CB LYS A 59 -0.089 -0.112 -12.977 1.00 0.00 C ATOM 886 CG LYS A 59 1.344 -0.584 -12.800 1.00 0.00 C ATOM 887 CD LYS A 59 2.334 0.405 -13.392 1.00 0.00 C ATOM 888 CE LYS A 59 3.748 -0.155 -13.393 1.00 0.00 C ATOM 889 NZ LYS A 59 4.024 -0.959 -14.616 1.00 0.00 N ATOM 0 H LYS A 59 -1.488 -2.335 -13.714 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.787 -1.016 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.345 -0.143 -14.036 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.161 0.929 -12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.555 -0.720 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.470 -1.556 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.038 0.651 -14.412 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.309 1.333 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.464 0.665 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.894 -0.776 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.997 -1.323 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.358 -1.756 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.910 -0.360 -15.458 1.00 0.00 H new ATOM 903 N LYS A 60 -3.502 -1.021 -12.578 1.00 0.00 N ATOM 904 CA LYS A 60 -4.859 -0.491 -12.649 1.00 0.00 C ATOM 905 C LYS A 60 -5.452 -0.327 -11.253 1.00 0.00 C ATOM 906 O LYS A 60 -5.971 0.735 -10.909 1.00 0.00 O ATOM 907 CB LYS A 60 -5.746 -1.413 -13.487 1.00 0.00 C ATOM 908 CG LYS A 60 -5.194 -1.693 -14.874 1.00 0.00 C ATOM 909 CD LYS A 60 -5.308 -0.476 -15.777 1.00 0.00 C ATOM 910 CE LYS A 60 -6.720 -0.317 -16.321 1.00 0.00 C ATOM 911 NZ LYS A 60 -6.975 1.069 -16.803 1.00 0.00 N ATOM 0 H LYS A 60 -3.423 -2.010 -12.816 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.815 0.489 -13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.875 -2.358 -12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.735 -0.964 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.149 -1.993 -14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.733 -2.529 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.028 0.419 -15.221 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.606 -0.569 -16.606 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.876 -1.021 -17.139 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.440 -0.569 -15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.947 1.137 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.851 1.738 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.305 1.301 -17.564 1.00 0.00 H new ATOM 925 N HIS A 61 -5.371 -1.385 -10.453 1.00 0.00 N ATOM 926 CA HIS A 61 -5.899 -1.358 -9.093 1.00 0.00 C ATOM 927 C HIS A 61 -4.819 -0.937 -8.100 1.00 0.00 C ATOM 928 O HIS A 61 -4.216 -1.776 -7.431 1.00 0.00 O ATOM 929 CB HIS A 61 -6.454 -2.730 -8.711 1.00 0.00 C ATOM 930 CG HIS A 61 -7.539 -2.672 -7.681 1.00 0.00 C ATOM 931 ND1 HIS A 61 -8.021 -3.788 -7.031 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.236 -1.621 -7.188 1.00 0.00 C ATOM 933 CE1 HIS A 61 -8.968 -3.427 -6.184 1.00 0.00 C ATOM 934 NE2 HIS A 61 -9.118 -2.117 -6.260 1.00 0.00 N ATOM 0 H HIS A 61 -4.945 -2.272 -10.722 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.706 -0.626 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.840 -3.219 -9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.640 -3.350 -8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.120 -0.585 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.525 -4.090 -5.539 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.781 -1.564 -5.717 1.00 0.00 H new ATOM 943 N LYS A 62 -4.581 0.367 -8.010 1.00 0.00 N ATOM 944 CA LYS A 62 -3.575 0.899 -7.099 1.00 0.00 C ATOM 945 C LYS A 62 -4.222 1.758 -6.016 1.00 0.00 C ATOM 946 O LYS A 62 -5.298 2.322 -6.217 1.00 0.00 O ATOM 947 CB LYS A 62 -2.544 1.726 -7.871 1.00 0.00 C ATOM 948 CG LYS A 62 -3.063 3.081 -8.319 1.00 0.00 C ATOM 949 CD LYS A 62 -3.684 3.010 -9.704 1.00 0.00 C ATOM 950 CE LYS A 62 -2.658 3.290 -10.791 1.00 0.00 C ATOM 951 NZ LYS A 62 -2.106 4.670 -10.690 1.00 0.00 N ATOM 0 H LYS A 62 -5.071 1.075 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.073 0.058 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.665 1.872 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.221 1.163 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.803 3.442 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.245 3.802 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.119 2.022 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.498 3.731 -9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.845 2.567 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.119 3.154 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.796 4.989 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.841 5.312 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.295 4.673 -10.038 1.00 0.00 H new ATOM 965 N LEU A 63 -3.559 1.853 -4.869 1.00 0.00 N ATOM 966 CA LEU A 63 -4.068 2.644 -3.754 1.00 0.00 C ATOM 967 C LEU A 63 -2.975 3.536 -3.175 1.00 0.00 C ATOM 968 O LEU A 63 -1.800 3.386 -3.505 1.00 0.00 O ATOM 969 CB LEU A 63 -4.624 1.726 -2.664 1.00 0.00 C ATOM 970 CG LEU A 63 -6.104 1.359 -2.785 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.290 0.213 -3.767 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.676 0.995 -1.423 1.00 0.00 C ATOM 0 H LEU A 63 -2.668 1.392 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.870 3.280 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.041 0.805 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.467 2.206 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.645 2.226 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.349 -0.035 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.918 0.510 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.737 -0.659 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.730 0.737 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.132 0.142 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.576 1.845 -0.748 1.00 0.00 H new ATOM 984 N GLU A 64 -3.372 4.464 -2.309 1.00 0.00 N ATOM 985 CA GLU A 64 -2.425 5.379 -1.683 1.00 0.00 C ATOM 986 C GLU A 64 -2.903 5.790 -0.293 1.00 0.00 C ATOM 987 O GLU A 64 -4.087 5.677 0.028 1.00 0.00 O ATOM 988 CB GLU A 64 -2.231 6.621 -2.555 1.00 0.00 C ATOM 989 CG GLU A 64 -1.694 7.821 -1.794 1.00 0.00 C ATOM 990 CD GLU A 64 -1.716 9.093 -2.619 1.00 0.00 C ATOM 991 OE1 GLU A 64 -1.546 9.004 -3.853 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.903 10.179 -2.030 1.00 0.00 O ATOM 0 H GLU A 64 -4.342 4.602 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.471 4.861 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.546 6.380 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.185 6.887 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.286 7.968 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.672 7.617 -1.475 1.00 0.00 H new ATOM 999 N THR A 65 -1.973 6.266 0.529 1.00 0.00 N ATOM 1000 CA THR A 65 -2.297 6.692 1.884 1.00 0.00 C ATOM 1001 C THR A 65 -2.527 8.198 1.947 1.00 0.00 C ATOM 1002 O THR A 65 -2.007 8.951 1.123 1.00 0.00 O ATOM 1003 CB THR A 65 -1.180 6.313 2.875 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.061 6.893 2.458 1.00 0.00 O ATOM 1005 CG2 THR A 65 -1.033 4.802 2.971 1.00 0.00 C ATOM 0 H THR A 65 -0.989 6.366 0.279 1.00 0.00 H new ATOM 0 HA THR A 65 -3.214 6.175 2.167 1.00 0.00 H new ATOM 0 HB THR A 65 -1.449 6.699 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.766 6.649 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.239 4.558 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.971 4.366 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.784 4.398 1.990 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.308 8.632 2.930 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.606 10.049 3.103 1.00 0.00 C ATOM 1015 C LYS A 66 -2.364 10.900 2.859 1.00 0.00 C ATOM 1016 O LYS A 66 -1.241 10.395 2.875 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.147 10.310 4.511 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.657 10.185 4.615 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.361 11.330 3.908 1.00 0.00 C ATOM 1020 CE LYS A 66 -7.786 11.504 4.410 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.623 10.304 4.130 1.00 0.00 N ATOM 0 H LYS A 66 -3.747 8.022 3.620 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.365 10.326 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.684 9.608 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.851 11.311 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.975 9.237 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.950 10.169 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.804 12.253 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.373 11.144 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.772 11.695 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.234 12.378 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.603 10.488 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.602 10.096 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.249 9.489 4.657 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.572 12.193 2.634 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.469 13.114 2.389 1.00 0.00 C ATOM 1037 C VAL A 67 -1.177 13.962 3.621 1.00 0.00 C ATOM 1038 O VAL A 67 -1.784 15.014 3.823 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.768 14.044 1.198 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.722 15.144 1.103 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.835 13.248 -0.096 1.00 0.00 C ATOM 0 H VAL A 67 -3.495 12.627 2.616 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.595 12.506 2.155 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.739 14.512 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.950 15.791 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.728 15.732 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.263 14.698 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.047 13.921 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.880 12.750 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.626 12.501 -0.023 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.243 13.498 4.444 1.00 0.00 N ATOM 1052 CA LYS A 68 0.133 14.214 5.658 1.00 0.00 C ATOM 1053 C LYS A 68 0.903 15.487 5.322 1.00 0.00 C ATOM 1054 O LYS A 68 1.862 15.458 4.551 1.00 0.00 O ATOM 1055 CB LYS A 68 0.980 13.316 6.562 1.00 0.00 C ATOM 1056 CG LYS A 68 0.275 12.037 6.982 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.718 12.291 8.104 1.00 0.00 C ATOM 1058 CE LYS A 68 -0.906 11.055 8.971 1.00 0.00 C ATOM 1059 NZ LYS A 68 0.055 11.024 10.108 1.00 0.00 N ATOM 0 H LYS A 68 0.268 12.628 4.293 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.780 14.491 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.903 13.058 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.262 13.875 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.245 11.608 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.013 11.303 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.369 13.119 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.677 12.590 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.925 11.033 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.777 10.161 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.221 10.276 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.012 10.832 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.046 11.943 10.595 1.00 0.00 H new ATOM 1073 N ARG A 69 0.478 16.602 5.908 1.00 0.00 N ATOM 1074 CA ARG A 69 1.129 17.885 5.670 1.00 0.00 C ATOM 1075 C ARG A 69 1.787 18.405 6.945 1.00 0.00 C ATOM 1076 O ARG A 69 1.355 18.087 8.054 1.00 0.00 O ATOM 1077 CB ARG A 69 0.115 18.907 5.153 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.925 18.313 4.218 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.454 18.340 2.772 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.564 18.209 1.832 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.520 19.120 1.692 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.501 20.224 2.426 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.497 18.929 0.815 1.00 0.00 N ATOM 0 H ARG A 69 -0.313 16.643 6.550 1.00 0.00 H new ATOM 0 HA ARG A 69 1.903 17.738 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.392 19.365 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.647 19.703 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.137 17.286 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.858 18.870 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.075 19.274 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.258 17.531 2.607 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.607 17.372 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.751 20.375 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.237 20.922 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.514 18.082 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.231 19.629 0.708 1.00 0.00 H new ATOM 1097 N LYS A 70 2.834 19.206 6.780 1.00 0.00 N ATOM 1098 CA LYS A 70 3.551 19.771 7.917 1.00 0.00 C ATOM 1099 C LYS A 70 4.200 18.672 8.753 1.00 0.00 C ATOM 1100 O LYS A 70 4.231 18.750 9.980 1.00 0.00 O ATOM 1101 CB LYS A 70 2.601 20.596 8.788 1.00 0.00 C ATOM 1102 CG LYS A 70 2.024 21.809 8.079 1.00 0.00 C ATOM 1103 CD LYS A 70 2.959 23.004 8.168 1.00 0.00 C ATOM 1104 CE LYS A 70 2.682 24.012 7.063 1.00 0.00 C ATOM 1105 NZ LYS A 70 3.535 25.225 7.194 1.00 0.00 N ATOM 0 H LYS A 70 3.205 19.479 5.870 1.00 0.00 H new ATOM 0 HA LYS A 70 4.336 20.421 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.783 19.958 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.134 20.926 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.840 21.567 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.061 22.066 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.844 23.486 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.993 22.664 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.859 23.546 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.632 24.302 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.317 25.888 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.348 25.684 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.537 24.952 7.142 1.00 0.00 H new ATOM 1119 N ASN A 71 4.716 17.650 8.079 1.00 0.00 N ATOM 1120 CA ASN A 71 5.365 16.535 8.760 1.00 0.00 C ATOM 1121 C ASN A 71 6.060 15.616 7.760 1.00 0.00 C ATOM 1122 O ASN A 71 5.427 15.079 6.850 1.00 0.00 O ATOM 1123 CB ASN A 71 4.340 15.741 9.573 1.00 0.00 C ATOM 1124 CG ASN A 71 3.035 15.545 8.824 1.00 0.00 C ATOM 1125 OD1 ASN A 71 2.929 15.874 7.643 1.00 0.00 O ATOM 1126 ND2 ASN A 71 2.034 15.007 9.511 1.00 0.00 N ATOM 0 H ASN A 71 4.698 17.570 7.062 1.00 0.00 H new ATOM 0 HA ASN A 71 6.118 16.943 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.759 14.768 9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.143 16.260 10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.132 14.851 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.167 14.749 10.489 1.00 0.00 H new ATOM 1133 N LEU A 72 7.364 15.439 7.935 1.00 0.00 N ATOM 1134 CA LEU A 72 8.146 14.585 7.049 1.00 0.00 C ATOM 1135 C LEU A 72 8.119 13.136 7.525 1.00 0.00 C ATOM 1136 O LEU A 72 8.207 12.207 6.724 1.00 0.00 O ATOM 1137 CB LEU A 72 9.591 15.081 6.973 1.00 0.00 C ATOM 1138 CG LEU A 72 9.775 16.567 6.661 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.188 17.013 7.001 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.462 16.848 5.199 1.00 0.00 C ATOM 0 H LEU A 72 7.903 15.876 8.683 1.00 0.00 H new ATOM 0 HA LEU A 72 7.700 14.631 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.078 14.867 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.113 14.503 6.211 1.00 0.00 H new ATOM 0 HG LEU A 72 9.079 17.136 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.300 18.073 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.376 16.849 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.903 16.437 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.598 17.910 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.133 16.268 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.430 16.567 4.987 1.00 0.00 H new ATOM 1152 N ASN A 73 7.994 12.952 8.836 1.00 0.00 N ATOM 1153 CA ASN A 73 7.954 11.616 9.419 1.00 0.00 C ATOM 1154 C ASN A 73 6.621 11.369 10.120 1.00 0.00 C ATOM 1155 O ASN A 73 6.568 10.971 11.284 1.00 0.00 O ATOM 1156 CB ASN A 73 9.105 11.434 10.410 1.00 0.00 C ATOM 1157 CG ASN A 73 10.435 11.891 9.841 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.781 11.567 8.705 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.187 12.647 10.631 1.00 0.00 N ATOM 0 H ASN A 73 7.919 13.711 9.514 1.00 0.00 H new ATOM 0 HA ASN A 73 8.061 10.891 8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.890 11.995 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.175 10.384 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.092 12.984 10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.860 12.891 11.566 1.00 0.00 H new ATOM 1166 N PRO A 74 5.518 11.610 9.396 1.00 0.00 N ATOM 1167 CA PRO A 74 4.165 11.420 9.928 1.00 0.00 C ATOM 1168 C PRO A 74 3.826 9.948 10.135 1.00 0.00 C ATOM 1169 O PRO A 74 4.508 9.064 9.617 1.00 0.00 O ATOM 1170 CB PRO A 74 3.270 12.028 8.845 1.00 0.00 C ATOM 1171 CG PRO A 74 4.069 11.926 7.592 1.00 0.00 C ATOM 1172 CD PRO A 74 5.507 12.087 8.003 1.00 0.00 C ATOM 0 HA PRO A 74 4.043 11.880 10.909 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.328 11.486 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.021 13.065 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.908 10.965 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.778 12.698 6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.174 11.500 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.832 13.125 7.931 1.00 0.00 H new ATOM 1180 N HIS A 75 2.766 9.691 10.896 1.00 0.00 N ATOM 1181 CA HIS A 75 2.335 8.325 11.171 1.00 0.00 C ATOM 1182 C HIS A 75 0.995 8.033 10.504 1.00 0.00 C ATOM 1183 O HIS A 75 -0.022 8.638 10.841 1.00 0.00 O ATOM 1184 CB HIS A 75 2.228 8.096 12.679 1.00 0.00 C ATOM 1185 CG HIS A 75 1.798 9.312 13.441 1.00 0.00 C ATOM 1186 ND1 HIS A 75 2.582 9.914 14.402 1.00 0.00 N ATOM 1187 CD2 HIS A 75 0.658 10.039 13.378 1.00 0.00 C ATOM 1188 CE1 HIS A 75 1.943 10.959 14.898 1.00 0.00 C ATOM 1189 NE2 HIS A 75 0.772 11.056 14.293 1.00 0.00 N ATOM 0 H HIS A 75 2.190 10.411 11.333 1.00 0.00 H new ATOM 0 HA HIS A 75 3.081 7.645 10.759 1.00 0.00 H new ATOM 0 HB2 HIS A 75 1.518 7.290 12.866 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.195 7.763 13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.185 9.853 12.729 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.314 11.621 15.667 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.067 11.770 14.476 1.00 0.00 H new ATOM 1198 N TRP A 76 1.003 7.104 9.555 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.213 6.733 8.839 1.00 0.00 C ATOM 1200 C TRP A 76 -1.002 5.684 9.615 1.00 0.00 C ATOM 1201 O TRP A 76 -2.157 5.905 9.977 1.00 0.00 O ATOM 1202 CB TRP A 76 0.132 6.203 7.447 1.00 0.00 C ATOM 1203 CG TRP A 76 0.693 7.251 6.534 1.00 0.00 C ATOM 1204 CD1 TRP A 76 0.013 8.290 5.964 1.00 0.00 C ATOM 1205 CD2 TRP A 76 2.048 7.362 6.086 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.865 9.039 5.188 1.00 0.00 N ATOM 1207 CE2 TRP A 76 2.119 8.491 5.247 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.209 6.618 6.313 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.304 8.891 4.636 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.385 7.016 5.705 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.425 8.144 4.875 1.00 0.00 C ATOM 0 H TRP A 76 1.837 6.594 9.263 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.832 7.625 8.737 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.853 5.392 7.544 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.765 5.780 6.995 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.039 8.493 6.103 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.605 9.869 4.654 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.188 5.748 6.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.337 9.760 3.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.288 6.448 5.873 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.359 8.430 4.415 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.372 4.541 9.866 1.00 0.00 N ATOM 1223 CA ASN A 77 -1.017 3.458 10.599 1.00 0.00 C ATOM 1224 C ASN A 77 -2.333 3.061 9.937 1.00 0.00 C ATOM 1225 O ASN A 77 -3.270 2.628 10.607 1.00 0.00 O ATOM 1226 CB ASN A 77 -1.268 3.874 12.050 1.00 0.00 C ATOM 1227 CG ASN A 77 -1.567 2.689 12.947 1.00 0.00 C ATOM 1228 OD1 ASN A 77 -2.636 2.084 12.860 1.00 0.00 O ATOM 1229 ND2 ASN A 77 -0.621 2.352 13.817 1.00 0.00 N ATOM 0 H ASN A 77 0.584 4.341 9.573 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.350 2.596 10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.394 4.403 12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.104 4.573 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.766 1.563 14.448 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.250 2.882 13.854 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.394 3.211 8.617 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.595 2.869 7.865 1.00 0.00 C ATOM 1238 C GLU A 78 -3.589 1.394 7.472 1.00 0.00 C ATOM 1239 O GLU A 78 -2.547 0.835 7.128 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.706 3.741 6.613 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.339 5.098 6.871 1.00 0.00 C ATOM 1242 CD GLU A 78 -4.409 5.956 5.623 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -3.503 5.842 4.772 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -5.372 6.742 5.497 1.00 0.00 O ATOM 0 H GLU A 78 -1.626 3.567 8.047 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.458 3.054 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.711 3.888 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.294 3.212 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.345 4.956 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.766 5.622 7.636 1.00 0.00 H new ATOM 1251 N THR A 79 -4.761 0.768 7.524 1.00 0.00 N ATOM 1252 CA THR A 79 -4.891 -0.641 7.176 1.00 0.00 C ATOM 1253 C THR A 79 -5.634 -0.814 5.856 1.00 0.00 C ATOM 1254 O THR A 79 -6.816 -0.486 5.749 1.00 0.00 O ATOM 1255 CB THR A 79 -5.632 -1.425 8.276 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.034 -1.164 9.550 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.598 -2.919 7.991 1.00 0.00 C ATOM 0 H THR A 79 -5.634 1.215 7.804 1.00 0.00 H new ATOM 0 HA THR A 79 -3.880 -1.037 7.076 1.00 0.00 H new ATOM 0 HB THR A 79 -6.671 -1.097 8.289 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.512 -1.664 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.127 -3.452 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.079 -3.118 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.563 -3.259 7.954 1.00 0.00 H new ATOM 1265 N PHE A 80 -4.934 -1.332 4.852 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.528 -1.549 3.538 1.00 0.00 C ATOM 1267 C PHE A 80 -5.950 -3.005 3.366 1.00 0.00 C ATOM 1268 O PHE A 80 -5.297 -3.917 3.875 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.539 -1.159 2.438 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.270 0.317 2.369 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -3.440 0.927 3.295 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -4.847 1.094 1.378 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -3.190 2.285 3.235 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -4.601 2.452 1.312 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.772 3.049 2.242 1.00 0.00 C ATOM 0 H PHE A 80 -3.955 -1.609 4.923 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.415 -0.921 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.598 -1.684 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.927 -1.495 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.983 0.334 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.497 0.633 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.541 2.748 3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.057 3.046 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.579 4.111 2.193 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.046 -3.216 2.645 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.557 -4.561 2.405 1.00 0.00 C ATOM 1287 C LEU A 81 -7.923 -4.750 0.936 1.00 0.00 C ATOM 1288 O LEU A 81 -8.684 -3.966 0.369 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.779 -4.828 3.285 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.527 -4.852 4.793 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -9.842 -4.784 5.555 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.747 -6.099 5.184 1.00 0.00 C ATOM 0 H LEU A 81 -7.598 -2.473 2.217 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.771 -5.272 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.528 -4.064 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.210 -5.786 2.993 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.932 -3.978 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.643 -4.802 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.364 -3.862 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.463 -5.639 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.577 -6.099 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.316 -6.986 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.788 -6.106 4.665 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.378 -5.797 0.326 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.648 -6.091 -1.076 1.00 0.00 C ATOM 1306 C PHE A 82 -8.542 -7.319 -1.213 1.00 0.00 C ATOM 1307 O PHE A 82 -8.076 -8.453 -1.107 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.338 -6.313 -1.834 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.588 -5.044 -2.121 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.960 -4.228 -3.177 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.512 -4.666 -1.335 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.271 -3.059 -3.444 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.819 -3.499 -1.596 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.201 -2.694 -2.652 1.00 0.00 C ATOM 0 H PHE A 82 -6.746 -6.456 0.781 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.169 -5.235 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.700 -6.979 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.554 -6.819 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.798 -4.508 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.211 -5.291 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.570 -2.432 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.981 -3.217 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.663 -1.780 -2.858 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.830 -7.084 -1.446 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.790 -8.172 -1.595 1.00 0.00 C ATOM 1326 C GLU A 83 -11.011 -8.504 -3.068 1.00 0.00 C ATOM 1327 O GLU A 83 -11.071 -7.614 -3.915 1.00 0.00 O ATOM 1328 CB GLU A 83 -12.121 -7.800 -0.940 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.967 -7.151 0.426 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.294 -6.964 1.135 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -14.263 -7.665 0.775 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.364 -6.117 2.050 1.00 0.00 O ATOM 0 H GLU A 83 -10.232 -6.151 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.383 -9.053 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.662 -7.119 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.730 -8.698 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.312 -7.765 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.481 -6.182 0.311 1.00 0.00 H new ATOM 1339 N GLY A 84 -11.130 -9.795 -3.366 1.00 0.00 N ATOM 1340 CA GLY A 84 -11.342 -10.224 -4.736 1.00 0.00 C ATOM 1341 C GLY A 84 -10.096 -10.828 -5.354 1.00 0.00 C ATOM 1342 O GLY A 84 -10.100 -11.216 -6.522 1.00 0.00 O ATOM 0 H GLY A 84 -11.083 -10.551 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.149 -10.956 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.664 -9.372 -5.335 1.00 0.00 H new ATOM 1346 N PHE A 85 -9.027 -10.907 -4.569 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.768 -11.466 -5.046 1.00 0.00 C ATOM 1348 C PHE A 85 -7.348 -12.663 -4.199 1.00 0.00 C ATOM 1349 O PHE A 85 -7.034 -12.538 -3.015 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.670 -10.399 -5.022 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.649 -9.533 -6.249 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.751 -8.766 -6.590 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.527 -9.485 -7.060 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.734 -7.968 -7.719 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -5.504 -8.689 -8.190 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.609 -7.929 -8.519 1.00 0.00 C ATOM 0 H PHE A 85 -9.008 -10.591 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.915 -11.804 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.807 -9.768 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.702 -10.888 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.633 -8.792 -5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.660 -10.077 -6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.600 -7.376 -7.975 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.623 -8.662 -8.814 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.593 -7.305 -9.400 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.343 -13.853 -4.818 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.964 -15.096 -4.140 1.00 0.00 C ATOM 1368 C PRO A 86 -5.475 -15.149 -3.815 1.00 0.00 C ATOM 1369 O PRO A 86 -4.643 -14.691 -4.598 1.00 0.00 O ATOM 1370 CB PRO A 86 -7.328 -16.180 -5.158 1.00 0.00 C ATOM 1371 CG PRO A 86 -7.272 -15.493 -6.479 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.706 -14.076 -6.228 1.00 0.00 C ATOM 0 HA PRO A 86 -7.468 -15.206 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.628 -17.014 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.321 -16.587 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.264 -15.525 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.928 -15.980 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.196 -13.376 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.776 -13.948 -6.393 1.00 0.00 H new ATOM 1380 N TYR A 87 -5.147 -15.711 -2.657 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.758 -15.821 -2.228 1.00 0.00 C ATOM 1382 C TYR A 87 -2.886 -16.386 -3.345 1.00 0.00 C ATOM 1383 O TYR A 87 -1.836 -15.831 -3.668 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.655 -16.710 -0.987 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.266 -17.256 -0.747 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.816 -18.384 -1.423 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.404 -16.646 0.155 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.548 -18.888 -1.207 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.134 -17.142 0.377 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.290 -18.263 -0.306 1.00 0.00 C ATOM 1391 OH TYR A 87 1.554 -18.760 -0.087 1.00 0.00 O ATOM 0 H TYR A 87 -5.824 -16.097 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.400 -14.821 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.967 -16.138 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.351 -17.543 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.469 -18.875 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.732 -15.769 0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.214 -19.766 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.524 -16.655 1.082 1.00 0.00 H new ATOM 0 HH TYR A 87 2.014 -18.203 0.575 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.330 -17.493 -3.932 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.591 -18.133 -5.013 1.00 0.00 C ATOM 1403 C GLU A 88 -2.181 -17.112 -6.071 1.00 0.00 C ATOM 1404 O GLU A 88 -1.209 -17.312 -6.799 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.434 -19.237 -5.654 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.659 -18.719 -6.389 1.00 0.00 C ATOM 1407 CD GLU A 88 -5.089 -19.630 -7.522 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -4.265 -19.885 -8.424 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -6.251 -20.088 -7.505 1.00 0.00 O ATOM 0 H GLU A 88 -4.198 -17.965 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.689 -18.575 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.812 -19.798 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.753 -19.934 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.482 -18.610 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.447 -17.727 -6.787 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.930 -16.018 -6.150 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.646 -14.964 -7.117 1.00 0.00 C ATOM 1418 C LYS A 89 -1.853 -13.833 -6.472 1.00 0.00 C ATOM 1419 O LYS A 89 -0.763 -13.486 -6.928 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.950 -14.417 -7.704 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.556 -15.308 -8.774 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.640 -14.584 -9.555 1.00 0.00 C ATOM 1423 CE LYS A 89 -6.614 -15.561 -10.195 1.00 0.00 C ATOM 1424 NZ LYS A 89 -5.957 -16.392 -11.242 1.00 0.00 N ATOM 0 H LYS A 89 -3.739 -15.838 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.046 -15.393 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.674 -14.286 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.762 -13.431 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.775 -15.640 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.975 -16.201 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.182 -13.912 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.182 -13.967 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.035 -16.210 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.444 -15.010 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.661 -17.021 -11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.548 -15.773 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.203 -16.963 -10.810 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.406 -13.261 -5.407 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.749 -12.170 -4.697 1.00 0.00 C ATOM 1440 C VAL A 90 -0.253 -12.429 -4.554 1.00 0.00 C ATOM 1441 O VAL A 90 0.555 -11.501 -4.585 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.358 -11.963 -3.298 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.685 -12.872 -2.281 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.245 -10.505 -2.878 1.00 0.00 C ATOM 0 H VAL A 90 -3.308 -13.535 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.904 -11.269 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.415 -12.225 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.129 -12.711 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.823 -13.912 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.620 -12.645 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.680 -10.377 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.195 -10.214 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.779 -9.878 -3.592 1.00 0.00 H new ATOM 1454 N VAL A 91 0.109 -13.699 -4.398 1.00 0.00 N ATOM 1455 CA VAL A 91 1.509 -14.082 -4.252 1.00 0.00 C ATOM 1456 C VAL A 91 2.297 -13.776 -5.521 1.00 0.00 C ATOM 1457 O VAL A 91 3.420 -13.277 -5.459 1.00 0.00 O ATOM 1458 CB VAL A 91 1.649 -15.580 -3.922 1.00 0.00 C ATOM 1459 CG1 VAL A 91 0.938 -15.908 -2.618 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.108 -16.429 -5.062 1.00 0.00 C ATOM 0 H VAL A 91 -0.547 -14.479 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 91 1.914 -13.496 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 91 2.707 -15.810 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.048 -16.971 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.376 -15.325 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.120 -15.664 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.215 -17.485 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.054 -16.198 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.667 -16.214 -5.973 1.00 0.00 H new ATOM 1470 N GLN A 92 1.701 -14.080 -6.669 1.00 0.00 N ATOM 1471 CA GLN A 92 2.348 -13.838 -7.953 1.00 0.00 C ATOM 1472 C GLN A 92 2.623 -12.351 -8.152 1.00 0.00 C ATOM 1473 O GLN A 92 3.394 -11.964 -9.031 1.00 0.00 O ATOM 1474 CB GLN A 92 1.478 -14.365 -9.095 1.00 0.00 C ATOM 1475 CG GLN A 92 0.950 -15.771 -8.858 1.00 0.00 C ATOM 1476 CD GLN A 92 0.360 -16.392 -10.109 1.00 0.00 C ATOM 1477 OE1 GLN A 92 1.036 -17.126 -10.830 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.908 -16.099 -10.374 1.00 0.00 N ATOM 0 H GLN A 92 0.771 -14.494 -6.736 1.00 0.00 H new ATOM 0 HA GLN A 92 3.300 -14.369 -7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.635 -13.689 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.058 -14.354 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.760 -16.402 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.189 -15.743 -8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.431 -15.486 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.359 -16.487 -11.203 1.00 0.00 H new ATOM 1487 N ARG A 93 1.987 -11.522 -7.331 1.00 0.00 N ATOM 1488 CA ARG A 93 2.161 -10.077 -7.419 1.00 0.00 C ATOM 1489 C ARG A 93 3.342 -9.619 -6.567 1.00 0.00 C ATOM 1490 O ARG A 93 3.994 -10.429 -5.907 1.00 0.00 O ATOM 1491 CB ARG A 93 0.887 -9.360 -6.970 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.377 -9.899 -7.619 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.277 -9.877 -9.136 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.530 -10.273 -9.774 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.626 -10.623 -11.051 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -0.548 -10.627 -11.824 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -2.802 -10.971 -11.558 1.00 0.00 N ATOM 0 H ARG A 93 1.347 -11.826 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 93 2.365 -9.824 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.794 -9.446 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.978 -8.298 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.555 -10.919 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.233 -9.304 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.003 -8.875 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.520 -10.548 -9.456 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.378 -10.281 -9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.358 -10.361 -11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.625 -10.896 -12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.633 -10.970 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.875 -11.240 -12.539 1.00 0.00 H new ATOM 1511 N ILE A 94 3.611 -8.318 -6.588 1.00 0.00 N ATOM 1512 CA ILE A 94 4.712 -7.754 -5.818 1.00 0.00 C ATOM 1513 C ILE A 94 4.309 -6.434 -5.169 1.00 0.00 C ATOM 1514 O ILE A 94 3.777 -5.541 -5.830 1.00 0.00 O ATOM 1515 CB ILE A 94 5.954 -7.521 -6.699 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.645 -8.852 -7.006 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.918 -6.564 -6.014 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.408 -8.849 -8.313 1.00 0.00 C ATOM 0 H ILE A 94 3.082 -7.635 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 94 4.958 -8.478 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 94 5.635 -7.073 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.332 -9.091 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.896 -9.643 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.790 -6.410 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.421 -5.609 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.234 -6.987 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.872 -9.823 -8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.722 -8.641 -9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.180 -8.080 -8.282 1.00 0.00 H new ATOM 1530 N LEU A 95 4.568 -6.317 -3.871 1.00 0.00 N ATOM 1531 CA LEU A 95 4.234 -5.105 -3.131 1.00 0.00 C ATOM 1532 C LEU A 95 5.214 -3.982 -3.456 1.00 0.00 C ATOM 1533 O LEU A 95 6.411 -4.092 -3.189 1.00 0.00 O ATOM 1534 CB LEU A 95 4.241 -5.384 -1.627 1.00 0.00 C ATOM 1535 CG LEU A 95 3.560 -4.336 -0.747 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.063 -4.308 -1.011 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.839 -4.612 0.724 1.00 0.00 C ATOM 0 H LEU A 95 5.008 -7.046 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 95 3.235 -4.789 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.757 -6.345 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.276 -5.486 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 95 3.970 -3.358 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.595 -3.556 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.883 -4.062 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.636 -5.286 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.347 -3.856 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.457 -5.598 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.914 -4.580 0.903 1.00 0.00 H new ATOM 1549 N TYR A 96 4.697 -2.901 -4.030 1.00 0.00 N ATOM 1550 CA TYR A 96 5.526 -1.758 -4.392 1.00 0.00 C ATOM 1551 C TYR A 96 5.055 -0.496 -3.676 1.00 0.00 C ATOM 1552 O TYR A 96 3.876 -0.140 -3.729 1.00 0.00 O ATOM 1553 CB TYR A 96 5.499 -1.539 -5.905 1.00 0.00 C ATOM 1554 CG TYR A 96 6.211 -0.281 -6.349 1.00 0.00 C ATOM 1555 CD1 TYR A 96 5.653 0.972 -6.127 1.00 0.00 C ATOM 1556 CD2 TYR A 96 7.442 -0.346 -6.990 1.00 0.00 C ATOM 1557 CE1 TYR A 96 6.301 2.124 -6.531 1.00 0.00 C ATOM 1558 CE2 TYR A 96 8.098 0.800 -7.395 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.523 2.033 -7.164 1.00 0.00 C ATOM 1560 OH TYR A 96 8.171 3.177 -7.568 1.00 0.00 O ATOM 0 H TYR A 96 3.708 -2.793 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 96 6.549 -1.971 -4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.957 -2.398 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.462 -1.496 -6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.697 1.047 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.894 -1.309 -7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.853 3.090 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.056 0.731 -7.890 1.00 0.00 H new ATOM 0 HH TYR A 96 7.631 3.960 -7.332 1.00 0.00 H new ATOM 1570 N LEU A 97 5.983 0.179 -3.006 1.00 0.00 N ATOM 1571 CA LEU A 97 5.665 1.402 -2.279 1.00 0.00 C ATOM 1572 C LEU A 97 6.568 2.549 -2.722 1.00 0.00 C ATOM 1573 O LEU A 97 7.727 2.337 -3.076 1.00 0.00 O ATOM 1574 CB LEU A 97 5.810 1.177 -0.773 1.00 0.00 C ATOM 1575 CG LEU A 97 5.041 -0.012 -0.196 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.768 -0.583 1.012 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.624 0.399 0.178 1.00 0.00 C ATOM 0 H LEU A 97 6.962 -0.101 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 97 4.632 1.669 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.868 1.045 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.483 2.080 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 97 4.983 -0.787 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.206 -1.428 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.762 -0.916 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.858 0.186 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.092 -0.460 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.660 1.192 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.104 0.759 -0.709 1.00 0.00 H new ATOM 1589 N GLN A 98 6.029 3.764 -2.697 1.00 0.00 N ATOM 1590 CA GLN A 98 6.787 4.944 -3.094 1.00 0.00 C ATOM 1591 C GLN A 98 6.447 6.135 -2.203 1.00 0.00 C ATOM 1592 O GLN A 98 5.320 6.628 -2.212 1.00 0.00 O ATOM 1593 CB GLN A 98 6.503 5.289 -4.557 1.00 0.00 C ATOM 1594 CG GLN A 98 6.796 6.739 -4.908 1.00 0.00 C ATOM 1595 CD GLN A 98 6.292 7.120 -6.286 1.00 0.00 C ATOM 1596 OE1 GLN A 98 5.121 6.917 -6.609 1.00 0.00 O ATOM 1597 NE2 GLN A 98 7.175 7.676 -7.107 1.00 0.00 N ATOM 0 H GLN A 98 5.071 3.956 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 98 7.847 4.719 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.101 4.641 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.457 5.075 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.335 7.389 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.871 6.911 -4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.135 7.826 -6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.893 7.954 -8.047 1.00 0.00 H new ATOM 1606 N VAL A 99 7.431 6.591 -1.434 1.00 0.00 N ATOM 1607 CA VAL A 99 7.237 7.725 -0.538 1.00 0.00 C ATOM 1608 C VAL A 99 7.761 9.014 -1.160 1.00 0.00 C ATOM 1609 O VAL A 99 8.970 9.207 -1.289 1.00 0.00 O ATOM 1610 CB VAL A 99 7.939 7.498 0.814 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.745 8.700 1.725 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.424 6.228 1.475 1.00 0.00 C ATOM 0 H VAL A 99 8.370 6.193 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 99 6.164 7.816 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 99 9.007 7.378 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.248 8.521 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.167 9.587 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.681 8.855 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.931 6.083 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.351 6.315 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.621 5.375 0.826 1.00 0.00 H new ATOM 1622 N LEU A 100 6.843 9.894 -1.545 1.00 0.00 N ATOM 1623 CA LEU A 100 7.212 11.167 -2.154 1.00 0.00 C ATOM 1624 C LEU A 100 6.289 12.285 -1.680 1.00 0.00 C ATOM 1625 O LEU A 100 5.310 12.039 -0.975 1.00 0.00 O ATOM 1626 CB LEU A 100 7.161 11.059 -3.679 1.00 0.00 C ATOM 1627 CG LEU A 100 5.767 10.946 -4.297 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.790 11.391 -5.751 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.246 9.521 -4.182 1.00 0.00 C ATOM 0 H LEU A 100 5.838 9.749 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 100 8.230 11.407 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.654 11.934 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.742 10.188 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 100 5.093 11.603 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.789 11.304 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.119 12.429 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.478 10.760 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.253 9.460 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.921 8.844 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.191 9.238 -3.131 1.00 0.00 H new ATOM 1641 N ASP A 101 6.606 13.514 -2.074 1.00 0.00 N ATOM 1642 CA ASP A 101 5.804 14.670 -1.693 1.00 0.00 C ATOM 1643 C ASP A 101 4.944 15.143 -2.861 1.00 0.00 C ATOM 1644 O ASP A 101 5.356 15.069 -4.018 1.00 0.00 O ATOM 1645 CB ASP A 101 6.706 15.808 -1.214 1.00 0.00 C ATOM 1646 CG ASP A 101 7.790 15.329 -0.269 1.00 0.00 C ATOM 1647 OD1 ASP A 101 7.451 14.695 0.752 1.00 0.00 O ATOM 1648 OD2 ASP A 101 8.979 15.586 -0.552 1.00 0.00 O ATOM 0 H ASP A 101 7.413 13.735 -2.657 1.00 0.00 H new ATOM 0 HA ASP A 101 5.145 14.372 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.167 16.290 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.099 16.563 -0.714 1.00 0.00 H new ATOM 1791 N PRO A 110 9.384 12.294 -7.031 1.00 0.00 N ATOM 1792 CA PRO A 110 9.527 11.107 -6.183 1.00 0.00 C ATOM 1793 C PRO A 110 10.791 11.154 -5.330 1.00 0.00 C ATOM 1794 O PRO A 110 11.860 11.536 -5.809 1.00 0.00 O ATOM 1795 CB PRO A 110 9.604 9.958 -7.191 1.00 0.00 C ATOM 1796 CG PRO A 110 10.122 10.583 -8.440 1.00 0.00 C ATOM 1797 CD PRO A 110 9.576 11.985 -8.458 1.00 0.00 C ATOM 0 HA PRO A 110 8.707 11.013 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.267 9.167 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.625 9.506 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.212 10.588 -8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.797 10.026 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.270 12.681 -8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.639 12.044 -9.012 1.00 0.00 H new ATOM 1805 N ILE A 111 10.662 10.762 -4.067 1.00 0.00 N ATOM 1806 CA ILE A 111 11.794 10.758 -3.150 1.00 0.00 C ATOM 1807 C ILE A 111 12.417 9.369 -3.051 1.00 0.00 C ATOM 1808 O ILE A 111 13.638 9.221 -3.082 1.00 0.00 O ATOM 1809 CB ILE A 111 11.380 11.224 -1.742 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.597 12.536 -1.825 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.606 11.388 -0.855 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.820 12.857 -0.567 1.00 0.00 C ATOM 0 H ILE A 111 9.785 10.443 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 111 12.529 11.455 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 111 10.735 10.465 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.291 13.351 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.906 12.484 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.296 11.718 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 111 13.127 10.434 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.274 12.130 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.290 13.800 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 111 9.102 12.061 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.508 12.941 0.274 1.00 0.00 H new ATOM 1824 N GLY A 112 11.567 8.353 -2.933 1.00 0.00 N ATOM 1825 CA GLY A 112 12.052 6.989 -2.833 1.00 0.00 C ATOM 1826 C GLY A 112 10.947 5.967 -3.005 1.00 0.00 C ATOM 1827 O GLY A 112 9.766 6.311 -2.983 1.00 0.00 O ATOM 0 H GLY A 112 10.552 8.450 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.818 6.823 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.527 6.846 -1.863 1.00 0.00 H new ATOM 1831 N GLU A 113 11.330 4.706 -3.180 1.00 0.00 N ATOM 1832 CA GLU A 113 10.361 3.631 -3.360 1.00 0.00 C ATOM 1833 C GLU A 113 11.000 2.272 -3.088 1.00 0.00 C ATOM 1834 O GLU A 113 12.202 2.089 -3.278 1.00 0.00 O ATOM 1835 CB GLU A 113 9.788 3.663 -4.778 1.00 0.00 C ATOM 1836 CG GLU A 113 10.728 3.092 -5.827 1.00 0.00 C ATOM 1837 CD GLU A 113 10.683 1.578 -5.888 1.00 0.00 C ATOM 1838 OE1 GLU A 113 9.692 0.994 -5.401 1.00 0.00 O ATOM 1839 OE2 GLU A 113 11.639 0.976 -6.421 1.00 0.00 O ATOM 0 H GLU A 113 12.304 4.404 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 113 9.552 3.782 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.853 3.102 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.547 4.693 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.467 3.499 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.747 3.413 -5.610 1.00 0.00 H new ATOM 1846 N VAL A 114 10.185 1.321 -2.641 1.00 0.00 N ATOM 1847 CA VAL A 114 10.669 -0.022 -2.344 1.00 0.00 C ATOM 1848 C VAL A 114 9.813 -1.080 -3.031 1.00 0.00 C ATOM 1849 O VAL A 114 8.659 -0.828 -3.380 1.00 0.00 O ATOM 1850 CB VAL A 114 10.679 -0.291 -0.827 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.652 -1.411 -0.490 1.00 0.00 C ATOM 1852 CG2 VAL A 114 11.028 0.977 -0.063 1.00 0.00 C ATOM 0 H VAL A 114 9.187 1.456 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 114 11.689 -0.082 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 114 9.680 -0.606 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.646 -1.587 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.352 -2.322 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.656 -1.128 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.030 0.768 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 114 12.015 1.325 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.289 1.748 -0.281 1.00 0.00 H new ATOM 1862 N SER A 115 10.385 -2.264 -3.221 1.00 0.00 N ATOM 1863 CA SER A 115 9.675 -3.360 -3.870 1.00 0.00 C ATOM 1864 C SER A 115 9.939 -4.680 -3.151 1.00 0.00 C ATOM 1865 O SER A 115 11.086 -5.022 -2.861 1.00 0.00 O ATOM 1866 CB SER A 115 10.096 -3.472 -5.336 1.00 0.00 C ATOM 1867 OG SER A 115 9.555 -2.412 -6.105 1.00 0.00 O ATOM 0 H SER A 115 11.338 -2.489 -2.935 1.00 0.00 H new ATOM 0 HA SER A 115 8.607 -3.147 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.184 -3.459 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.762 -4.427 -5.742 1.00 0.00 H new ATOM 0 HG SER A 115 8.721 -2.102 -5.694 1.00 0.00 H new ATOM 1873 N ILE A 116 8.870 -5.416 -2.867 1.00 0.00 N ATOM 1874 CA ILE A 116 8.986 -6.698 -2.183 1.00 0.00 C ATOM 1875 C ILE A 116 7.903 -7.667 -2.644 1.00 0.00 C ATOM 1876 O ILE A 116 6.707 -7.386 -2.560 1.00 0.00 O ATOM 1877 CB ILE A 116 8.893 -6.531 -0.655 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.065 -5.694 -0.139 1.00 0.00 C ATOM 1879 CG2 ILE A 116 8.866 -7.892 0.026 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.026 -5.456 1.355 1.00 0.00 C ATOM 0 H ILE A 116 7.914 -5.147 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 116 9.965 -7.104 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 116 7.966 -6.009 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.999 -6.195 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.068 -4.732 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.800 -7.757 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.001 -8.456 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.777 -8.438 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.887 -4.856 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.109 -4.928 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.054 -6.413 1.877 1.00 0.00 H new ATOM 1892 N PRO A 117 8.329 -8.837 -3.143 1.00 0.00 N ATOM 1893 CA PRO A 117 7.411 -9.873 -3.626 1.00 0.00 C ATOM 1894 C PRO A 117 6.630 -10.529 -2.492 1.00 0.00 C ATOM 1895 O PRO A 117 7.214 -11.039 -1.536 1.00 0.00 O ATOM 1896 CB PRO A 117 8.342 -10.890 -4.291 1.00 0.00 C ATOM 1897 CG PRO A 117 9.655 -10.701 -3.614 1.00 0.00 C ATOM 1898 CD PRO A 117 9.740 -9.239 -3.274 1.00 0.00 C ATOM 0 HA PRO A 117 6.653 -9.466 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.973 -11.908 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.420 -10.713 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.723 -11.315 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.476 -10.998 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.293 -9.073 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.248 -8.674 -4.055 1.00 0.00 H new ATOM 1906 N LEU A 118 5.306 -10.513 -2.606 1.00 0.00 N ATOM 1907 CA LEU A 118 4.444 -11.107 -1.590 1.00 0.00 C ATOM 1908 C LEU A 118 4.673 -12.612 -1.494 1.00 0.00 C ATOM 1909 O LEU A 118 4.227 -13.258 -0.547 1.00 0.00 O ATOM 1910 CB LEU A 118 2.975 -10.822 -1.910 1.00 0.00 C ATOM 1911 CG LEU A 118 2.512 -9.379 -1.708 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.188 -9.139 -2.417 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.389 -9.061 -0.225 1.00 0.00 C ATOM 0 H LEU A 118 4.807 -10.095 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 118 4.694 -10.658 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.789 -11.100 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.356 -11.471 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 118 3.259 -8.714 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.874 -8.107 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.308 -9.326 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.432 -9.812 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.058 -8.030 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.663 -9.733 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.358 -9.192 0.257 1.00 0.00 H new ATOM 1925 N ASN A 119 5.372 -13.163 -2.481 1.00 0.00 N ATOM 1926 CA ASN A 119 5.662 -14.592 -2.507 1.00 0.00 C ATOM 1927 C ASN A 119 6.802 -14.933 -1.552 1.00 0.00 C ATOM 1928 O ASN A 119 6.905 -16.061 -1.068 1.00 0.00 O ATOM 1929 CB ASN A 119 6.021 -15.035 -3.927 1.00 0.00 C ATOM 1930 CG ASN A 119 6.507 -16.471 -3.979 1.00 0.00 C ATOM 1931 OD1 ASN A 119 5.916 -17.360 -3.366 1.00 0.00 O ATOM 1932 ND2 ASN A 119 7.588 -16.703 -4.713 1.00 0.00 N ATOM 0 H ASN A 119 5.748 -12.642 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 119 4.768 -15.125 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.148 -14.926 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.794 -14.378 -4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.961 -17.649 -4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.045 -15.935 -5.204 1.00 0.00 H new ATOM 1939 N LYS A 120 7.657 -13.952 -1.285 1.00 0.00 N ATOM 1940 CA LYS A 120 8.789 -14.145 -0.387 1.00 0.00 C ATOM 1941 C LYS A 120 8.374 -13.935 1.065 1.00 0.00 C ATOM 1942 O LYS A 120 8.728 -14.722 1.943 1.00 0.00 O ATOM 1943 CB LYS A 120 9.923 -13.184 -0.749 1.00 0.00 C ATOM 1944 CG LYS A 120 10.653 -13.557 -2.028 1.00 0.00 C ATOM 1945 CD LYS A 120 11.696 -14.634 -1.781 1.00 0.00 C ATOM 1946 CE LYS A 120 12.578 -14.846 -3.001 1.00 0.00 C ATOM 1947 NZ LYS A 120 11.895 -15.658 -4.046 1.00 0.00 N ATOM 0 H LYS A 120 7.587 -13.014 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 120 9.140 -15.171 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.516 -12.178 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.639 -13.155 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.935 -13.908 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.134 -12.672 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.314 -14.354 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.200 -15.570 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.859 -13.879 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.500 -15.343 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.530 -15.780 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.650 -16.590 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.028 -15.172 -4.352 1.00 0.00 H new ATOM 1961 N VAL A 121 7.620 -12.868 1.312 1.00 0.00 N ATOM 1962 CA VAL A 121 7.155 -12.556 2.658 1.00 0.00 C ATOM 1963 C VAL A 121 6.174 -13.610 3.158 1.00 0.00 C ATOM 1964 O VAL A 121 5.202 -13.941 2.479 1.00 0.00 O ATOM 1965 CB VAL A 121 6.476 -11.174 2.711 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.340 -11.098 1.703 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.974 -10.881 4.116 1.00 0.00 C ATOM 0 H VAL A 121 7.318 -12.206 0.597 1.00 0.00 H new ATOM 0 HA VAL A 121 8.034 -12.546 3.302 1.00 0.00 H new ATOM 0 HB VAL A 121 7.214 -10.416 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.873 -10.115 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.733 -11.260 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.599 -11.864 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.497 -9.901 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.251 -11.642 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.813 -10.890 4.811 1.00 0.00 H new ATOM 1977 N ASP A 122 6.435 -14.134 4.351 1.00 0.00 N ATOM 1978 CA ASP A 122 5.575 -15.151 4.944 1.00 0.00 C ATOM 1979 C ASP A 122 4.196 -14.580 5.258 1.00 0.00 C ATOM 1980 O ASP A 122 3.900 -14.237 6.404 1.00 0.00 O ATOM 1981 CB ASP A 122 6.212 -15.708 6.218 1.00 0.00 C ATOM 1982 CG ASP A 122 7.520 -16.425 5.946 1.00 0.00 C ATOM 1983 OD1 ASP A 122 8.511 -15.744 5.607 1.00 0.00 O ATOM 1984 OD2 ASP A 122 7.553 -17.667 6.072 1.00 0.00 O ATOM 0 H ASP A 122 7.235 -13.871 4.926 1.00 0.00 H new ATOM 0 HA ASP A 122 5.458 -15.959 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.387 -14.892 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.516 -16.397 6.697 1.00 0.00 H new ATOM 1989 N LEU A 123 3.356 -14.480 4.234 1.00 0.00 N ATOM 1990 CA LEU A 123 2.007 -13.949 4.400 1.00 0.00 C ATOM 1991 C LEU A 123 1.221 -14.767 5.420 1.00 0.00 C ATOM 1992 O LEU A 123 0.160 -14.348 5.884 1.00 0.00 O ATOM 1993 CB LEU A 123 1.271 -13.943 3.059 1.00 0.00 C ATOM 1994 CG LEU A 123 1.852 -13.029 1.979 1.00 0.00 C ATOM 1995 CD1 LEU A 123 1.202 -13.314 0.634 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.670 -11.568 2.363 1.00 0.00 C ATOM 0 H LEU A 123 3.585 -14.759 3.280 1.00 0.00 H new ATOM 0 HA LEU A 123 2.089 -12.926 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.252 -14.962 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.236 -13.650 3.236 1.00 0.00 H new ATOM 0 HG LEU A 123 2.920 -13.231 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.627 -12.655 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.384 -14.352 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.128 -13.140 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.089 -10.932 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.608 -11.351 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.183 -11.373 3.305 1.00 0.00 H new ATOM 2008 N THR A 124 1.751 -15.936 5.768 1.00 0.00 N ATOM 2009 CA THR A 124 1.101 -16.812 6.734 1.00 0.00 C ATOM 2010 C THR A 124 0.805 -16.074 8.035 1.00 0.00 C ATOM 2011 O THR A 124 -0.064 -16.480 8.806 1.00 0.00 O ATOM 2012 CB THR A 124 1.967 -18.048 7.044 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.148 -17.653 7.752 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.355 -18.771 5.764 1.00 0.00 C ATOM 0 H THR A 124 2.629 -16.297 5.395 1.00 0.00 H new ATOM 0 HA THR A 124 0.164 -17.138 6.283 1.00 0.00 H new ATOM 0 HB THR A 124 1.383 -18.728 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.692 -18.444 7.947 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.966 -19.640 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.455 -19.095 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.923 -18.097 5.123 1.00 0.00 H new ATOM 2022 N GLN A 125 1.533 -14.987 8.272 1.00 0.00 N ATOM 2023 CA GLN A 125 1.348 -14.192 9.480 1.00 0.00 C ATOM 2024 C GLN A 125 1.850 -12.767 9.276 1.00 0.00 C ATOM 2025 O GLN A 125 2.622 -12.496 8.357 1.00 0.00 O ATOM 2026 CB GLN A 125 2.079 -14.839 10.658 1.00 0.00 C ATOM 2027 CG GLN A 125 3.526 -15.192 10.357 1.00 0.00 C ATOM 2028 CD GLN A 125 4.283 -15.652 11.587 1.00 0.00 C ATOM 2029 OE1 GLN A 125 4.129 -15.090 12.672 1.00 0.00 O ATOM 2030 NE2 GLN A 125 5.107 -16.681 11.425 1.00 0.00 N ATOM 0 H GLN A 125 2.256 -14.637 7.643 1.00 0.00 H new ATOM 0 HA GLN A 125 0.281 -14.154 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.049 -14.160 11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.547 -15.744 10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.555 -15.978 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.027 -14.323 9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.204 -17.117 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.643 -17.035 12.218 1.00 0.00 H new ATOM 2039 N MET A 126 1.405 -11.859 10.139 1.00 0.00 N ATOM 2040 CA MET A 126 1.811 -10.461 10.054 1.00 0.00 C ATOM 2041 C MET A 126 3.291 -10.302 10.387 1.00 0.00 C ATOM 2042 O MET A 126 3.759 -10.790 11.415 1.00 0.00 O ATOM 2043 CB MET A 126 0.968 -9.605 11.001 1.00 0.00 C ATOM 2044 CG MET A 126 1.190 -8.111 10.830 1.00 0.00 C ATOM 2045 SD MET A 126 -0.221 -7.131 11.378 1.00 0.00 S ATOM 2046 CE MET A 126 -0.730 -6.378 9.835 1.00 0.00 C ATOM 0 H MET A 126 0.764 -12.066 10.905 1.00 0.00 H new ATOM 0 HA MET A 126 1.650 -10.124 9.030 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.086 -9.828 10.838 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.197 -9.883 12.030 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.075 -7.813 11.392 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.391 -7.895 9.781 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.817 -6.300 9.809 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.293 -5.383 9.754 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.391 -6.992 9.001 1.00 0.00 H new ATOM 2056 N GLN A 127 4.020 -9.618 9.512 1.00 0.00 N ATOM 2057 CA GLN A 127 5.447 -9.397 9.714 1.00 0.00 C ATOM 2058 C GLN A 127 5.854 -8.004 9.244 1.00 0.00 C ATOM 2059 O GLN A 127 5.494 -7.578 8.146 1.00 0.00 O ATOM 2060 CB GLN A 127 6.259 -10.458 8.970 1.00 0.00 C ATOM 2061 CG GLN A 127 5.667 -11.854 9.063 1.00 0.00 C ATOM 2062 CD GLN A 127 6.075 -12.578 10.332 1.00 0.00 C ATOM 2063 OE1 GLN A 127 6.245 -11.962 11.384 1.00 0.00 O ATOM 2064 NE2 GLN A 127 6.236 -13.893 10.238 1.00 0.00 N ATOM 0 H GLN A 127 3.646 -9.207 8.656 1.00 0.00 H new ATOM 0 HA GLN A 127 5.654 -9.475 10.781 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.336 -10.174 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.272 -10.475 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.580 -11.787 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.984 -12.437 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.084 -14.363 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.511 -14.433 11.058 1.00 0.00 H new ATOM 2073 N THR A 128 6.607 -7.299 10.082 1.00 0.00 N ATOM 2074 CA THR A 128 7.062 -5.954 9.753 1.00 0.00 C ATOM 2075 C THR A 128 8.340 -5.993 8.923 1.00 0.00 C ATOM 2076 O THR A 128 9.072 -6.984 8.938 1.00 0.00 O ATOM 2077 CB THR A 128 7.314 -5.119 11.023 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.425 -5.534 12.066 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.120 -3.637 10.744 1.00 0.00 C ATOM 0 H THR A 128 6.915 -7.637 10.994 1.00 0.00 H new ATOM 0 HA THR A 128 6.268 -5.486 9.171 1.00 0.00 H new ATOM 0 HB THR A 128 8.345 -5.281 11.339 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.592 -5.000 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.303 -3.068 11.656 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.818 -3.318 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.099 -3.461 10.406 1.00 0.00 H new ATOM 2087 N PHE A 129 8.604 -4.910 8.199 1.00 0.00 N ATOM 2088 CA PHE A 129 9.795 -4.822 7.362 1.00 0.00 C ATOM 2089 C PHE A 129 10.378 -3.412 7.393 1.00 0.00 C ATOM 2090 O PHE A 129 9.647 -2.425 7.313 1.00 0.00 O ATOM 2091 CB PHE A 129 9.462 -5.216 5.922 1.00 0.00 C ATOM 2092 CG PHE A 129 9.303 -6.697 5.727 1.00 0.00 C ATOM 2093 CD1 PHE A 129 10.394 -7.487 5.400 1.00 0.00 C ATOM 2094 CD2 PHE A 129 8.064 -7.300 5.872 1.00 0.00 C ATOM 2095 CE1 PHE A 129 10.251 -8.850 5.219 1.00 0.00 C ATOM 2096 CE2 PHE A 129 7.915 -8.662 5.693 1.00 0.00 C ATOM 2097 CZ PHE A 129 9.010 -9.438 5.368 1.00 0.00 C ATOM 0 H PHE A 129 8.009 -4.082 8.175 1.00 0.00 H new ATOM 0 HA PHE A 129 10.539 -5.513 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.541 -4.717 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.251 -4.853 5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 129 11.367 -7.032 5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 129 7.204 -6.698 6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 129 11.108 -9.454 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 129 6.943 -9.119 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.896 -10.503 5.231 1.00 0.00 H new ATOM 2107 N TRP A 130 11.698 -3.327 7.512 1.00 0.00 N ATOM 2108 CA TRP A 130 12.380 -2.039 7.554 1.00 0.00 C ATOM 2109 C TRP A 130 13.337 -1.890 6.377 1.00 0.00 C ATOM 2110 O TRP A 130 14.420 -2.477 6.366 1.00 0.00 O ATOM 2111 CB TRP A 130 13.144 -1.886 8.871 1.00 0.00 C ATOM 2112 CG TRP A 130 12.289 -1.397 10.000 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.808 -2.135 11.044 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.812 -0.061 10.198 1.00 0.00 C ATOM 2115 NE1 TRP A 130 11.061 -1.339 11.878 1.00 0.00 N ATOM 2116 CE2 TRP A 130 11.049 -0.062 11.382 1.00 0.00 C ATOM 2117 CE3 TRP A 130 11.957 1.136 9.491 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.434 1.087 11.871 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.346 2.275 9.978 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.592 2.245 11.159 1.00 0.00 C ATOM 0 H TRP A 130 12.317 -4.135 7.581 1.00 0.00 H new ATOM 0 HA TRP A 130 11.626 -1.255 7.486 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.579 -2.847 9.144 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.971 -1.192 8.724 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.988 -3.189 11.192 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.591 -1.649 12.729 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.536 1.170 8.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.852 1.065 12.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.451 3.205 9.439 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.127 3.153 11.514 1.00 0.00 H new ATOM 2131 N LYS A 131 12.932 -1.103 5.386 1.00 0.00 N ATOM 2132 CA LYS A 131 13.755 -0.876 4.204 1.00 0.00 C ATOM 2133 C LYS A 131 14.106 0.602 4.061 1.00 0.00 C ATOM 2134 O LYS A 131 13.423 1.468 4.608 1.00 0.00 O ATOM 2135 CB LYS A 131 13.025 -1.361 2.949 1.00 0.00 C ATOM 2136 CG LYS A 131 12.595 -2.816 3.020 1.00 0.00 C ATOM 2137 CD LYS A 131 13.793 -3.749 3.072 1.00 0.00 C ATOM 2138 CE LYS A 131 13.392 -5.188 2.784 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.292 -6.161 3.462 1.00 0.00 N ATOM 0 H LYS A 131 12.038 -0.611 5.378 1.00 0.00 H new ATOM 0 HA LYS A 131 14.680 -1.441 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.145 -0.738 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.675 -1.225 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.974 -2.970 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.982 -3.058 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.539 -3.426 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.259 -3.690 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.366 -5.352 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.413 -5.362 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.985 -7.130 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.267 -6.022 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.253 -6.012 4.490 1.00 0.00 H new ATOM 2153 N ASP A 132 15.175 0.882 3.323 1.00 0.00 N ATOM 2154 CA ASP A 132 15.615 2.256 3.107 1.00 0.00 C ATOM 2155 C ASP A 132 15.131 2.775 1.757 1.00 0.00 C ATOM 2156 O ASP A 132 15.671 2.413 0.710 1.00 0.00 O ATOM 2157 CB ASP A 132 17.140 2.343 3.184 1.00 0.00 C ATOM 2158 CG ASP A 132 17.824 1.336 2.280 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.946 0.162 2.686 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.237 1.722 1.166 1.00 0.00 O ATOM 0 H ASP A 132 15.752 0.177 2.865 1.00 0.00 H new ATOM 0 HA ASP A 132 15.183 2.878 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.458 3.349 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.459 2.178 4.213 1.00 0.00 H new ATOM 2165 N LEU A 133 14.109 3.624 1.787 1.00 0.00 N ATOM 2166 CA LEU A 133 13.551 4.193 0.565 1.00 0.00 C ATOM 2167 C LEU A 133 14.640 4.417 -0.478 1.00 0.00 C ATOM 2168 O LEU A 133 15.350 5.422 -0.444 1.00 0.00 O ATOM 2169 CB LEU A 133 12.842 5.514 0.872 1.00 0.00 C ATOM 2170 CG LEU A 133 11.571 5.413 1.716 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.184 6.779 2.262 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.433 4.823 0.897 1.00 0.00 C ATOM 0 H LEU A 133 13.650 3.933 2.644 1.00 0.00 H new ATOM 0 HA LEU A 133 12.828 3.485 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.545 6.169 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.590 5.996 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 133 11.768 4.750 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.277 6.688 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.992 7.164 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.005 7.465 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.536 4.758 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.236 5.461 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.710 3.826 0.554 1.00 0.00 H new ATOM 2184 N LYS A 134 14.765 3.476 -1.407 1.00 0.00 N ATOM 2185 CA LYS A 134 15.765 3.571 -2.464 1.00 0.00 C ATOM 2186 C LYS A 134 15.633 4.889 -3.221 1.00 0.00 C ATOM 2187 O LYS A 134 14.566 5.500 -3.271 1.00 0.00 O ATOM 2188 CB LYS A 134 15.623 2.397 -3.436 1.00 0.00 C ATOM 2189 CG LYS A 134 16.076 1.069 -2.855 1.00 0.00 C ATOM 2190 CD LYS A 134 17.589 0.932 -2.889 1.00 0.00 C ATOM 2191 CE LYS A 134 18.053 0.177 -4.125 1.00 0.00 C ATOM 2192 NZ LYS A 134 18.233 1.083 -5.293 1.00 0.00 N ATOM 0 H LYS A 134 14.186 2.638 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 134 16.751 3.535 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.580 2.313 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.203 2.608 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.725 0.982 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.623 0.252 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 134 18.045 1.922 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.928 0.410 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 134 18.994 -0.329 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 134 17.325 -0.595 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 18.723 0.573 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 17.303 1.402 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 18.799 1.908 -5.009 1.00 0.00 H new ATOM 2206 N PRO A 135 16.743 5.339 -3.825 1.00 0.00 N ATOM 2207 CA PRO A 135 16.776 6.588 -4.591 1.00 0.00 C ATOM 2208 C PRO A 135 15.989 6.490 -5.893 1.00 0.00 C ATOM 2209 O PRO A 135 16.513 6.046 -6.915 1.00 0.00 O ATOM 2210 CB PRO A 135 18.266 6.787 -4.880 1.00 0.00 C ATOM 2211 CG PRO A 135 18.848 5.416 -4.835 1.00 0.00 C ATOM 2212 CD PRO A 135 18.051 4.662 -3.806 1.00 0.00 C ATOM 0 HA PRO A 135 16.320 7.414 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 135 18.422 7.251 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.729 7.438 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.784 4.932 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.903 5.449 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.961 3.606 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.516 4.713 -2.821 1.00 0.00 H new ATOM 2220 N SER A 136 14.728 6.909 -5.850 1.00 0.00 N ATOM 2221 CA SER A 136 13.868 6.865 -7.027 1.00 0.00 C ATOM 2222 C SER A 136 14.187 8.015 -7.977 1.00 0.00 C ATOM 2223 O SER A 136 14.265 9.172 -7.565 1.00 0.00 O ATOM 2224 CB SER A 136 12.397 6.925 -6.611 1.00 0.00 C ATOM 2225 OG SER A 136 12.052 5.821 -5.792 1.00 0.00 O ATOM 0 H SER A 136 14.280 7.282 -5.013 1.00 0.00 H new ATOM 0 HA SER A 136 14.054 5.926 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.206 7.854 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.765 6.934 -7.499 1.00 0.00 H new ATOM 0 HG SER A 136 12.837 5.248 -5.667 1.00 0.00 H new