USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HE2:sc= -7.63! C(o=-9!,f=-9.2!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.852 F(o=-11!,f=-9) USER MOD Set 1.3: A 122 GLN :FLIP amide:sc= -0.561 F(o=-9.8,f=-9) USER MOD Set 1.4: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -165:sc= 0.123 (180deg=0) USER MOD Set 2.2: A 94 THR OG1 : rot 180:sc= 0.119 USER MOD Set 3.1: A 40 ASN : amide:sc= -0.117 K(o=-0.0057,f=-3.1!) USER MOD Set 3.2: A 51 THR OG1 : rot -88:sc= 0.111 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.064) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.432 F(o=-1.9,f=-0.43) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 37 CYS SG : rot -121:sc= 0.341 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= -3.04 (180deg=-5.42!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.13) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-0.676) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -124:sc= 0 (180deg=-0.174) USER MOD Single : A 68 THR OG1 : rot 34:sc= 0.758 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -170:sc= -1.47 USER MOD Single : A 81 GLN : amide:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 21:sc= 0.765 USER MOD Single : A 111 MET CE :methyl -113:sc= -1.17 (180deg=-3.88!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 117 TYR OH : rot 112:sc= 0.628 USER MOD Single : A 119 CYS SG : rot -131:sc= -0.276 USER MOD Single : A 120 ASN : amide:sc= -0.86 X(o=-0.86,f=-1.3) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -14:sc= 0.827 USER MOD Single : A 128 ASN : amide:sc= -7.17! C(o=-7.2!,f=-9.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.74) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.018 12.280 -12.982 1.00 0.00 N ATOM 118 CA SER A 12 -0.208 11.143 -12.089 1.00 0.00 C ATOM 119 C SER A 12 0.723 11.236 -10.884 1.00 0.00 C ATOM 120 O SER A 12 1.548 12.145 -10.791 1.00 0.00 O ATOM 121 CB SER A 12 0.039 9.832 -12.839 1.00 0.00 C ATOM 122 OG SER A 12 -0.393 8.719 -12.076 1.00 0.00 O ATOM 0 HA SER A 12 -1.238 11.161 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.489 9.850 -13.793 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.101 9.733 -13.064 1.00 0.00 H new ATOM 0 HG SER A 12 -0.226 7.894 -12.578 1.00 0.00 H new ATOM 128 N PHE A 13 0.584 10.289 -9.962 1.00 0.00 N ATOM 129 CA PHE A 13 1.411 10.264 -8.762 1.00 0.00 C ATOM 130 C PHE A 13 2.285 9.013 -8.729 1.00 0.00 C ATOM 131 O PHE A 13 2.104 8.095 -9.529 1.00 0.00 O ATOM 132 CB PHE A 13 0.532 10.317 -7.510 1.00 0.00 C ATOM 133 CG PHE A 13 -0.048 11.677 -7.243 1.00 0.00 C ATOM 134 CD1 PHE A 13 -0.767 12.342 -8.223 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.125 12.289 -6.013 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.301 13.594 -7.981 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.408 13.540 -5.764 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.123 14.193 -6.749 1.00 0.00 C ATOM 0 H PHE A 13 -0.094 9.529 -10.023 1.00 0.00 H new ATOM 0 HA PHE A 13 2.060 11.140 -8.781 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.281 9.598 -7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.122 10.007 -6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.912 11.877 -9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.683 11.783 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.857 14.103 -8.754 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.265 14.006 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.542 15.170 -6.556 1.00 0.00 H new ATOM 148 N VAL A 14 3.234 8.986 -7.800 1.00 0.00 N ATOM 149 CA VAL A 14 4.137 7.849 -7.662 1.00 0.00 C ATOM 150 C VAL A 14 4.301 7.452 -6.199 1.00 0.00 C ATOM 151 O VAL A 14 3.873 8.173 -5.297 1.00 0.00 O ATOM 152 CB VAL A 14 5.524 8.158 -8.258 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.419 8.405 -9.755 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.151 9.353 -7.555 1.00 0.00 C ATOM 0 H VAL A 14 3.398 9.738 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 14 3.690 7.021 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 14 6.169 7.293 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.408 8.622 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.015 7.518 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.759 9.253 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.130 9.557 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.510 10.226 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.263 9.133 -6.493 1.00 0.00 H new ATOM 164 N LEU A 15 4.925 6.301 -5.971 1.00 0.00 N ATOM 165 CA LEU A 15 5.147 5.807 -4.616 1.00 0.00 C ATOM 166 C LEU A 15 6.564 6.121 -4.148 1.00 0.00 C ATOM 167 O LEU A 15 7.533 5.886 -4.870 1.00 0.00 O ATOM 168 CB LEU A 15 4.899 4.299 -4.555 1.00 0.00 C ATOM 169 CG LEU A 15 3.584 3.810 -5.163 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.736 2.393 -5.695 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.464 3.878 -4.135 1.00 0.00 C ATOM 0 H LEU A 15 5.286 5.693 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 15 4.445 6.311 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.721 3.795 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.931 3.988 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 15 3.326 4.463 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.790 2.062 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.509 2.374 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.018 1.727 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.535 3.526 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.715 3.248 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.338 4.908 -3.802 1.00 0.00 H new ATOM 183 N ASP A 16 6.678 6.650 -2.935 1.00 0.00 N ATOM 184 CA ASP A 16 7.977 6.992 -2.369 1.00 0.00 C ATOM 185 C ASP A 16 8.569 5.807 -1.612 1.00 0.00 C ATOM 186 O ASP A 16 9.302 5.982 -0.638 1.00 0.00 O ATOM 187 CB ASP A 16 7.848 8.197 -1.434 1.00 0.00 C ATOM 188 CG ASP A 16 9.140 8.982 -1.321 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.684 9.384 -2.370 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.608 9.193 -0.182 1.00 0.00 O ATOM 0 H ASP A 16 5.886 6.851 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 16 8.648 7.248 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.058 8.853 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.546 7.855 -0.444 1.00 0.00 H new ATOM 195 N PHE A 17 8.247 4.601 -2.067 1.00 0.00 N ATOM 196 CA PHE A 17 8.745 3.386 -1.432 1.00 0.00 C ATOM 197 C PHE A 17 8.958 2.282 -2.463 1.00 0.00 C ATOM 198 O PHE A 17 8.266 2.224 -3.479 1.00 0.00 O ATOM 199 CB PHE A 17 7.769 2.911 -0.354 1.00 0.00 C ATOM 200 CG PHE A 17 6.365 2.725 -0.856 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.982 1.537 -1.456 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.430 3.739 -0.728 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.691 1.363 -1.919 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.138 3.570 -1.188 1.00 0.00 C ATOM 205 CZ PHE A 17 3.768 2.381 -1.786 1.00 0.00 C ATOM 0 H PHE A 17 7.643 4.439 -2.873 1.00 0.00 H new ATOM 0 HA PHE A 17 9.704 3.616 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.127 1.968 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.762 3.633 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.700 0.737 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.714 4.672 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.405 0.431 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.418 4.367 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.759 2.248 -2.149 1.00 0.00 H new ATOM 215 N SER A 18 9.923 1.408 -2.194 1.00 0.00 N ATOM 216 CA SER A 18 10.231 0.307 -3.100 1.00 0.00 C ATOM 217 C SER A 18 9.239 -0.838 -2.921 1.00 0.00 C ATOM 218 O SER A 18 8.768 -1.097 -1.814 1.00 0.00 O ATOM 219 CB SER A 18 11.656 -0.195 -2.859 1.00 0.00 C ATOM 220 OG SER A 18 12.609 0.811 -3.156 1.00 0.00 O ATOM 0 H SER A 18 10.505 1.441 -1.357 1.00 0.00 H new ATOM 0 HA SER A 18 10.151 0.677 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.764 -0.507 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.845 -1.073 -3.477 1.00 0.00 H new ATOM 0 HG SER A 18 13.511 0.465 -2.992 1.00 0.00 H new ATOM 226 N GLN A 19 8.927 -1.519 -4.019 1.00 0.00 N ATOM 227 CA GLN A 19 7.991 -2.636 -3.984 1.00 0.00 C ATOM 228 C GLN A 19 8.430 -3.683 -2.966 1.00 0.00 C ATOM 229 O GLN A 19 9.597 -4.068 -2.899 1.00 0.00 O ATOM 230 CB GLN A 19 7.873 -3.273 -5.370 1.00 0.00 C ATOM 231 CG GLN A 19 7.693 -2.262 -6.491 1.00 0.00 C ATOM 232 CD GLN A 19 6.621 -1.235 -6.184 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.903 -0.041 -6.073 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.383 -1.694 -6.046 1.00 0.00 N ATOM 0 H GLN A 19 9.309 -1.317 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 19 7.016 -2.251 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.767 -3.865 -5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.028 -3.961 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.639 -1.751 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.435 -2.787 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.195 -2.691 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.620 -1.049 -5.840 1.00 0.00 H new ATOM 243 N PRO A 20 7.473 -4.155 -2.153 1.00 0.00 N ATOM 244 CA PRO A 20 7.738 -5.165 -1.123 1.00 0.00 C ATOM 245 C PRO A 20 8.045 -6.534 -1.719 1.00 0.00 C ATOM 246 O PRO A 20 8.938 -7.239 -1.250 1.00 0.00 O ATOM 247 CB PRO A 20 6.431 -5.209 -0.326 1.00 0.00 C ATOM 248 CG PRO A 20 5.388 -4.747 -1.284 1.00 0.00 C ATOM 249 CD PRO A 20 6.060 -3.742 -2.177 1.00 0.00 C ATOM 0 HA PRO A 20 8.612 -4.915 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.220 -6.216 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.479 -4.562 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.994 -5.582 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.546 -4.299 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.652 -3.766 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.932 -2.725 -1.805 1.00 0.00 H new ATOM 257 N SER A 21 7.299 -6.905 -2.755 1.00 0.00 N ATOM 258 CA SER A 21 7.490 -8.192 -3.413 1.00 0.00 C ATOM 259 C SER A 21 8.927 -8.345 -3.901 1.00 0.00 C ATOM 260 O SER A 21 9.432 -9.459 -4.041 1.00 0.00 O ATOM 261 CB SER A 21 6.522 -8.336 -4.588 1.00 0.00 C ATOM 262 OG SER A 21 6.889 -9.423 -5.421 1.00 0.00 O ATOM 0 H SER A 21 6.557 -6.332 -3.157 1.00 0.00 H new ATOM 0 HA SER A 21 7.287 -8.978 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.510 -8.487 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.512 -7.415 -5.170 1.00 0.00 H new ATOM 0 HG SER A 21 6.254 -9.495 -6.164 1.00 0.00 H new ATOM 268 N ALA A 22 9.581 -7.217 -4.159 1.00 0.00 N ATOM 269 CA ALA A 22 10.960 -7.224 -4.629 1.00 0.00 C ATOM 270 C ALA A 22 11.750 -8.366 -3.999 1.00 0.00 C ATOM 271 O ALA A 22 12.584 -8.992 -4.654 1.00 0.00 O ATOM 272 CB ALA A 22 11.627 -5.890 -4.328 1.00 0.00 C ATOM 0 H ALA A 22 9.177 -6.287 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 22 10.949 -7.377 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.657 -5.909 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.084 -5.090 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.619 -5.714 -3.252 1.00 0.00 H new ATOM 278 N ASP A 23 11.482 -8.632 -2.726 1.00 0.00 N ATOM 279 CA ASP A 23 12.167 -9.700 -2.007 1.00 0.00 C ATOM 280 C ASP A 23 11.175 -10.751 -1.520 1.00 0.00 C ATOM 281 O ASP A 23 10.580 -10.611 -0.451 1.00 0.00 O ATOM 282 CB ASP A 23 12.946 -9.128 -0.821 1.00 0.00 C ATOM 283 CG ASP A 23 13.906 -8.030 -1.235 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.969 -8.354 -1.804 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.593 -6.846 -0.990 1.00 0.00 O ATOM 0 H ASP A 23 10.795 -8.123 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 23 12.865 -10.177 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.245 -8.735 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.503 -9.929 -0.335 1.00 0.00 H new ATOM 290 N TYR A 24 11.000 -11.804 -2.312 1.00 0.00 N ATOM 291 CA TYR A 24 10.077 -12.877 -1.963 1.00 0.00 C ATOM 292 C TYR A 24 10.336 -13.380 -0.546 1.00 0.00 C ATOM 293 O TYR A 24 9.408 -13.540 0.248 1.00 0.00 O ATOM 294 CB TYR A 24 10.206 -14.032 -2.958 1.00 0.00 C ATOM 295 CG TYR A 24 9.089 -15.046 -2.857 1.00 0.00 C ATOM 296 CD1 TYR A 24 9.143 -16.079 -1.930 1.00 0.00 C ATOM 297 CD2 TYR A 24 7.978 -14.970 -3.688 1.00 0.00 C ATOM 298 CE1 TYR A 24 8.125 -17.008 -1.835 1.00 0.00 C ATOM 299 CE2 TYR A 24 6.954 -15.893 -3.599 1.00 0.00 C ATOM 300 CZ TYR A 24 7.033 -16.911 -2.671 1.00 0.00 C ATOM 301 OH TYR A 24 6.016 -17.833 -2.579 1.00 0.00 O ATOM 0 H TYR A 24 11.485 -11.937 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 24 9.063 -12.479 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.228 -13.628 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.159 -14.536 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.996 -16.157 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.914 -14.175 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.184 -17.806 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.097 -15.818 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 24 5.322 -17.621 -3.238 1.00 0.00 H new ATOM 311 N LEU A 25 11.604 -13.628 -0.236 1.00 0.00 N ATOM 312 CA LEU A 25 11.988 -14.112 1.085 1.00 0.00 C ATOM 313 C LEU A 25 11.728 -13.051 2.151 1.00 0.00 C ATOM 314 O LEU A 25 10.840 -13.204 2.989 1.00 0.00 O ATOM 315 CB LEU A 25 13.465 -14.510 1.095 1.00 0.00 C ATOM 316 CG LEU A 25 13.772 -15.957 0.709 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.101 -16.921 1.675 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.327 -16.234 -0.719 1.00 0.00 C ATOM 0 H LEU A 25 12.383 -13.502 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 25 11.381 -14.988 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.003 -13.851 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.863 -14.329 2.094 1.00 0.00 H new ATOM 0 HG LEU A 25 14.850 -16.108 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.331 -17.946 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.469 -16.739 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.022 -16.770 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.553 -17.269 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.254 -16.065 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.855 -15.567 -1.400 1.00 0.00 H new ATOM 330 N ASP A 26 12.507 -11.976 2.110 1.00 0.00 N ATOM 331 CA ASP A 26 12.360 -10.888 3.069 1.00 0.00 C ATOM 332 C ASP A 26 10.898 -10.469 3.196 1.00 0.00 C ATOM 333 O ASP A 26 10.494 -9.884 4.200 1.00 0.00 O ATOM 334 CB ASP A 26 13.212 -9.690 2.649 1.00 0.00 C ATOM 335 CG ASP A 26 13.271 -8.617 3.719 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.371 -7.752 3.741 1.00 0.00 O ATOM 337 OD2 ASP A 26 14.218 -8.643 4.533 1.00 0.00 O ATOM 0 H ASP A 26 13.247 -11.835 1.422 1.00 0.00 H new ATOM 0 HA ASP A 26 12.703 -11.245 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.223 -10.029 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.806 -9.263 1.732 1.00 0.00 H new ATOM 342 N PHE A 27 10.110 -10.773 2.170 1.00 0.00 N ATOM 343 CA PHE A 27 8.694 -10.426 2.165 1.00 0.00 C ATOM 344 C PHE A 27 7.882 -11.447 2.956 1.00 0.00 C ATOM 345 O PHE A 27 7.245 -11.110 3.954 1.00 0.00 O ATOM 346 CB PHE A 27 8.172 -10.344 0.729 1.00 0.00 C ATOM 347 CG PHE A 27 6.673 -10.357 0.634 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.976 -11.555 0.633 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.961 -9.172 0.546 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.597 -11.570 0.546 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.582 -9.181 0.459 1.00 0.00 C ATOM 352 CZ PHE A 27 3.899 -10.382 0.458 1.00 0.00 C ATOM 0 H PHE A 27 10.428 -11.259 1.331 1.00 0.00 H new ATOM 0 HA PHE A 27 8.582 -9.452 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.549 -9.433 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.572 -11.182 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.517 -12.487 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.490 -8.230 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.066 -12.510 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.039 -8.250 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.821 -10.392 0.389 1.00 0.00 H new ATOM 362 N ARG A 28 7.908 -12.696 2.501 1.00 0.00 N ATOM 363 CA ARG A 28 7.173 -13.766 3.164 1.00 0.00 C ATOM 364 C ARG A 28 7.459 -13.774 4.663 1.00 0.00 C ATOM 365 O ARG A 28 6.579 -14.068 5.471 1.00 0.00 O ATOM 366 CB ARG A 28 7.543 -15.120 2.557 1.00 0.00 C ATOM 367 CG ARG A 28 8.814 -15.721 3.137 1.00 0.00 C ATOM 368 CD ARG A 28 8.986 -17.172 2.716 1.00 0.00 C ATOM 369 NE ARG A 28 8.261 -18.086 3.595 1.00 0.00 N ATOM 370 CZ ARG A 28 8.498 -19.392 3.653 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.437 -19.934 2.889 1.00 0.00 N ATOM 372 NH2 ARG A 28 7.797 -20.158 4.478 1.00 0.00 N ATOM 0 H ARG A 28 8.430 -12.991 1.676 1.00 0.00 H new ATOM 0 HA ARG A 28 6.108 -13.587 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.718 -15.816 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.664 -15.005 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.676 -15.141 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.784 -15.658 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.633 -17.297 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.046 -17.428 2.721 1.00 0.00 H new ATOM 0 HE ARG A 28 7.533 -17.701 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.980 -19.348 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.617 -20.937 2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.075 -19.745 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.979 -21.161 4.522 1.00 0.00 H new ATOM 386 N ASN A 29 8.695 -13.448 5.027 1.00 0.00 N ATOM 387 CA ASN A 29 9.097 -13.418 6.429 1.00 0.00 C ATOM 388 C ASN A 29 8.180 -12.506 7.238 1.00 0.00 C ATOM 389 O ASN A 29 7.848 -12.804 8.386 1.00 0.00 O ATOM 390 CB ASN A 29 10.546 -12.945 6.555 1.00 0.00 C ATOM 391 CG ASN A 29 11.542 -14.026 6.179 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.253 -13.816 5.077 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.669 -15.036 6.870 1.00 0.00 N flip ATOM 0 H ASN A 29 9.436 -13.201 4.371 1.00 0.00 H new ATOM 0 HA ASN A 29 9.016 -14.430 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.699 -12.076 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.733 -12.623 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.101 -15.155 7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.342 -15.755 6.604 1.00 0.00 H new ATOM 400 N ARG A 30 7.774 -11.395 6.632 1.00 0.00 N ATOM 401 CA ARG A 30 6.896 -10.440 7.296 1.00 0.00 C ATOM 402 C ARG A 30 5.446 -10.913 7.254 1.00 0.00 C ATOM 403 O ARG A 30 4.696 -10.737 8.216 1.00 0.00 O ATOM 404 CB ARG A 30 7.014 -9.064 6.638 1.00 0.00 C ATOM 405 CG ARG A 30 8.441 -8.678 6.284 1.00 0.00 C ATOM 406 CD ARG A 30 9.361 -8.781 7.490 1.00 0.00 C ATOM 407 NE ARG A 30 8.982 -7.849 8.549 1.00 0.00 N ATOM 408 CZ ARG A 30 9.828 -7.397 9.468 1.00 0.00 C ATOM 409 NH1 ARG A 30 11.095 -7.790 9.458 1.00 0.00 N ATOM 410 NH2 ARG A 30 9.408 -6.551 10.399 1.00 0.00 N ATOM 0 H ARG A 30 8.039 -11.134 5.682 1.00 0.00 H new ATOM 0 HA ARG A 30 7.205 -10.365 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.408 -9.051 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.600 -8.313 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.808 -9.327 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.458 -7.659 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.337 -9.799 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.387 -8.581 7.181 1.00 0.00 H new ATOM 0 HE ARG A 30 8.015 -7.528 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.422 -8.441 8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.743 -7.441 10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.434 -6.247 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.058 -6.205 11.104 1.00 0.00 H new ATOM 424 N LEU A 31 5.057 -11.514 6.135 1.00 0.00 N ATOM 425 CA LEU A 31 3.697 -12.012 5.967 1.00 0.00 C ATOM 426 C LEU A 31 3.419 -13.168 6.923 1.00 0.00 C ATOM 427 O LEU A 31 2.264 -13.495 7.197 1.00 0.00 O ATOM 428 CB LEU A 31 3.473 -12.465 4.523 1.00 0.00 C ATOM 429 CG LEU A 31 2.121 -13.114 4.225 1.00 0.00 C ATOM 430 CD1 LEU A 31 1.044 -12.053 4.059 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.211 -13.985 2.980 1.00 0.00 C ATOM 0 H LEU A 31 5.665 -11.668 5.330 1.00 0.00 H new ATOM 0 HA LEU A 31 3.008 -11.200 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.590 -11.600 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.259 -13.173 4.259 1.00 0.00 H new ATOM 0 HG LEU A 31 1.850 -13.748 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.089 -12.534 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.962 -11.471 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.308 -11.392 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.240 -14.439 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.505 -13.372 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.953 -14.768 3.137 1.00 0.00 H new ATOM 443 N GLN A 32 4.484 -13.781 7.428 1.00 0.00 N ATOM 444 CA GLN A 32 4.354 -14.899 8.355 1.00 0.00 C ATOM 445 C GLN A 32 4.440 -14.421 9.801 1.00 0.00 C ATOM 446 O GLN A 32 4.024 -15.122 10.722 1.00 0.00 O ATOM 447 CB GLN A 32 5.440 -15.942 8.085 1.00 0.00 C ATOM 448 CG GLN A 32 5.566 -16.987 9.181 1.00 0.00 C ATOM 449 CD GLN A 32 6.456 -18.147 8.782 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.000 -18.176 7.678 1.00 0.00 O ATOM 451 NE2 GLN A 32 6.610 -19.112 9.682 1.00 0.00 N ATOM 0 H GLN A 32 5.447 -13.523 7.211 1.00 0.00 H new ATOM 0 HA GLN A 32 3.376 -15.354 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.225 -16.442 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.398 -15.435 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.967 -16.519 10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.575 -17.364 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.140 -19.047 10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.198 -19.918 9.470 1.00 0.00 H new ATOM 460 N ALA A 33 4.983 -13.223 9.991 1.00 0.00 N ATOM 461 CA ALA A 33 5.122 -12.650 11.324 1.00 0.00 C ATOM 462 C ALA A 33 3.976 -11.693 11.633 1.00 0.00 C ATOM 463 O ALA A 33 3.591 -11.524 12.790 1.00 0.00 O ATOM 464 CB ALA A 33 6.459 -11.936 11.455 1.00 0.00 C ATOM 0 H ALA A 33 5.334 -12.630 9.239 1.00 0.00 H new ATOM 0 HA ALA A 33 5.085 -13.464 12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.549 -11.513 12.456 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.269 -12.646 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.518 -11.137 10.716 1.00 0.00 H new ATOM 470 N ASP A 34 3.437 -11.068 10.592 1.00 0.00 N ATOM 471 CA ASP A 34 2.334 -10.128 10.752 1.00 0.00 C ATOM 472 C ASP A 34 1.042 -10.703 10.182 1.00 0.00 C ATOM 473 O ASP A 34 -0.047 -10.192 10.446 1.00 0.00 O ATOM 474 CB ASP A 34 2.663 -8.801 10.065 1.00 0.00 C ATOM 475 CG ASP A 34 1.987 -7.620 10.732 1.00 0.00 C ATOM 476 OD1 ASP A 34 2.254 -7.381 11.929 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.192 -6.933 10.058 1.00 0.00 O ATOM 0 H ASP A 34 3.746 -11.195 9.628 1.00 0.00 H new ATOM 0 HA ASP A 34 2.192 -9.951 11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.742 -8.650 10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.355 -8.850 9.021 1.00 0.00 H new ATOM 482 N HIS A 35 1.169 -11.768 9.397 1.00 0.00 N ATOM 483 CA HIS A 35 0.011 -12.413 8.789 1.00 0.00 C ATOM 484 C HIS A 35 -0.665 -11.482 7.788 1.00 0.00 C ATOM 485 O HIS A 35 -1.860 -11.608 7.516 1.00 0.00 O ATOM 486 CB HIS A 35 -0.988 -12.835 9.866 1.00 0.00 C ATOM 487 CG HIS A 35 -0.345 -13.436 11.078 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.055 -14.779 11.189 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.066 -12.867 12.236 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.506 -15.011 12.363 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.591 -13.867 13.017 1.00 0.00 N ATOM 0 H HIS A 35 2.063 -12.203 9.167 1.00 0.00 H new ATOM 0 HA HIS A 35 0.357 -13.300 8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.572 -11.966 10.168 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.686 -13.556 9.440 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.244 -15.484 10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.006 -11.821 12.497 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.838 -15.972 12.726 1.00 0.00 H new ATOM 499 N VAL A 36 0.106 -10.548 7.241 1.00 0.00 N ATOM 500 CA VAL A 36 -0.418 -9.596 6.269 1.00 0.00 C ATOM 501 C VAL A 36 0.700 -8.753 5.667 1.00 0.00 C ATOM 502 O VAL A 36 1.648 -8.377 6.356 1.00 0.00 O ATOM 503 CB VAL A 36 -1.463 -8.661 6.907 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.791 -7.668 7.843 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.258 -7.937 5.830 1.00 0.00 C ATOM 0 H VAL A 36 1.096 -10.430 7.455 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.895 -10.179 5.481 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.155 -9.265 7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.545 -7.016 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.271 -8.208 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.075 -7.067 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.992 -7.281 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.581 -7.344 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.771 -8.667 5.204 1.00 0.00 H new ATOM 515 N CYS A 37 0.583 -8.460 4.376 1.00 0.00 N ATOM 516 CA CYS A 37 1.585 -7.662 3.679 1.00 0.00 C ATOM 517 C CYS A 37 1.147 -7.368 2.248 1.00 0.00 C ATOM 518 O CYS A 37 0.503 -8.196 1.602 1.00 0.00 O ATOM 519 CB CYS A 37 2.932 -8.386 3.675 1.00 0.00 C ATOM 520 SG CYS A 37 4.355 -7.297 3.442 1.00 0.00 S ATOM 0 H CYS A 37 -0.196 -8.763 3.791 1.00 0.00 H new ATOM 0 HA CYS A 37 1.692 -6.715 4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.048 -8.920 4.618 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.928 -9.135 2.883 1.00 0.00 H new ATOM 0 HG CYS A 37 5.009 -7.659 2.379 1.00 0.00 H new ATOM 526 N LEU A 38 1.498 -6.185 1.758 1.00 0.00 N ATOM 527 CA LEU A 38 1.140 -5.780 0.403 1.00 0.00 C ATOM 528 C LEU A 38 2.141 -6.327 -0.610 1.00 0.00 C ATOM 529 O LEU A 38 3.349 -6.147 -0.462 1.00 0.00 O ATOM 530 CB LEU A 38 1.079 -4.255 0.305 1.00 0.00 C ATOM 531 CG LEU A 38 1.039 -3.675 -1.110 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.371 -3.745 -1.676 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.546 -2.240 -1.112 1.00 0.00 C ATOM 0 H LEU A 38 2.031 -5.488 2.279 1.00 0.00 H new ATOM 0 HA LEU A 38 0.157 -6.192 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.195 -3.911 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.946 -3.843 0.821 1.00 0.00 H new ATOM 0 HG LEU A 38 1.693 -4.272 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.380 -3.328 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.698 -4.784 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.047 -3.173 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.511 -1.843 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.918 -1.631 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.573 -2.217 -0.749 1.00 0.00 H new ATOM 545 N GLU A 39 1.628 -6.992 -1.641 1.00 0.00 N ATOM 546 CA GLU A 39 2.477 -7.563 -2.679 1.00 0.00 C ATOM 547 C GLU A 39 2.847 -6.510 -3.720 1.00 0.00 C ATOM 548 O GLU A 39 3.974 -6.017 -3.746 1.00 0.00 O ATOM 549 CB GLU A 39 1.771 -8.739 -3.358 1.00 0.00 C ATOM 550 CG GLU A 39 2.596 -9.396 -4.452 1.00 0.00 C ATOM 551 CD GLU A 39 1.863 -10.538 -5.129 1.00 0.00 C ATOM 552 OE1 GLU A 39 1.734 -11.612 -4.507 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.418 -10.355 -6.282 1.00 0.00 O ATOM 0 H GLU A 39 0.630 -7.148 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 39 3.392 -7.921 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.522 -9.486 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.830 -8.390 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.864 -8.648 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.527 -9.769 -4.025 1.00 0.00 H new ATOM 560 N ASN A 40 1.889 -6.170 -4.576 1.00 0.00 N ATOM 561 CA ASN A 40 2.114 -5.176 -5.619 1.00 0.00 C ATOM 562 C ASN A 40 1.093 -4.046 -5.523 1.00 0.00 C ATOM 563 O ASN A 40 -0.093 -4.285 -5.292 1.00 0.00 O ATOM 564 CB ASN A 40 2.039 -5.830 -7.000 1.00 0.00 C ATOM 565 CG ASN A 40 0.636 -6.290 -7.347 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.220 -7.387 -6.973 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.101 -5.451 -8.066 1.00 0.00 N ATOM 0 H ASN A 40 0.950 -6.568 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 40 3.109 -4.755 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.383 -5.121 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.716 -6.683 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.053 -5.706 -8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.285 -4.552 -8.354 1.00 0.00 H new ATOM 574 N CYS A 41 1.562 -2.816 -5.703 1.00 0.00 N ATOM 575 CA CYS A 41 0.690 -1.649 -5.637 1.00 0.00 C ATOM 576 C CYS A 41 1.025 -0.657 -6.746 1.00 0.00 C ATOM 577 O CYS A 41 2.100 -0.058 -6.755 1.00 0.00 O ATOM 578 CB CYS A 41 0.817 -0.968 -4.273 1.00 0.00 C ATOM 579 SG CYS A 41 -0.398 0.339 -3.984 1.00 0.00 S ATOM 0 H CYS A 41 2.540 -2.601 -5.896 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.338 -1.986 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.717 -1.722 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.818 -0.546 -4.182 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.211 0.852 -2.804 1.00 0.00 H new ATOM 585 N VAL A 42 0.096 -0.489 -7.683 1.00 0.00 N ATOM 586 CA VAL A 42 0.292 0.430 -8.798 1.00 0.00 C ATOM 587 C VAL A 42 -0.577 1.673 -8.644 1.00 0.00 C ATOM 588 O VAL A 42 -1.490 1.708 -7.819 1.00 0.00 O ATOM 589 CB VAL A 42 -0.031 -0.246 -10.144 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.850 -1.468 -10.353 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.503 -0.621 -10.212 1.00 0.00 C ATOM 0 H VAL A 42 -0.799 -0.977 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 42 1.342 0.721 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 42 0.177 0.463 -10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.607 -1.932 -11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.897 -1.166 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.678 -2.183 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.713 -1.097 -11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.740 -1.312 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.112 0.277 -10.112 1.00 0.00 H new ATOM 601 N LEU A 43 -0.287 2.693 -9.445 1.00 0.00 N ATOM 602 CA LEU A 43 -1.042 3.940 -9.400 1.00 0.00 C ATOM 603 C LEU A 43 -1.621 4.276 -10.770 1.00 0.00 C ATOM 604 O LEU A 43 -0.981 4.054 -11.798 1.00 0.00 O ATOM 605 CB LEU A 43 -0.147 5.083 -8.917 1.00 0.00 C ATOM 606 CG LEU A 43 -0.848 6.207 -8.152 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.108 6.858 -7.165 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.407 7.241 -9.118 1.00 0.00 C ATOM 0 H LEU A 43 0.466 2.681 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.867 3.812 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.629 4.664 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.353 5.517 -9.783 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.678 5.777 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.408 7.655 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.460 6.112 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.959 7.275 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.902 8.033 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.594 7.667 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.126 6.765 -9.785 1.00 0.00 H new ATOM 620 N LYS A 44 -2.835 4.816 -10.777 1.00 0.00 N ATOM 621 CA LYS A 44 -3.501 5.187 -12.020 1.00 0.00 C ATOM 622 C LYS A 44 -4.087 6.592 -11.925 1.00 0.00 C ATOM 623 O LYS A 44 -3.921 7.277 -10.916 1.00 0.00 O ATOM 624 CB LYS A 44 -4.607 4.182 -12.350 1.00 0.00 C ATOM 625 CG LYS A 44 -4.168 2.733 -12.232 1.00 0.00 C ATOM 626 CD LYS A 44 -4.418 2.187 -10.837 1.00 0.00 C ATOM 627 CE LYS A 44 -5.841 1.671 -10.687 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.770 2.736 -10.216 1.00 0.00 N ATOM 0 H LYS A 44 -3.378 5.007 -9.935 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.759 5.176 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.452 4.352 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.961 4.364 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.706 2.128 -12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.107 2.653 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.714 1.381 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.234 2.969 -10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.189 1.282 -11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.854 0.840 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.182 2.458 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.247 3.628 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.530 2.867 -10.914 1.00 0.00 H new ATOM 642 N ASP A 45 -4.775 7.014 -12.981 1.00 0.00 N ATOM 643 CA ASP A 45 -5.388 8.336 -13.015 1.00 0.00 C ATOM 644 C ASP A 45 -6.335 8.527 -11.834 1.00 0.00 C ATOM 645 O ASP A 45 -7.375 7.874 -11.746 1.00 0.00 O ATOM 646 CB ASP A 45 -6.145 8.537 -14.329 1.00 0.00 C ATOM 647 CG ASP A 45 -6.786 7.258 -14.829 1.00 0.00 C ATOM 648 OD1 ASP A 45 -7.845 6.874 -14.288 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.230 6.641 -15.761 1.00 0.00 O ATOM 0 H ASP A 45 -4.922 6.459 -13.824 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.594 9.079 -12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.915 9.295 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.459 8.916 -15.086 1.00 0.00 H new ATOM 654 N LYS A 46 -5.968 9.424 -10.926 1.00 0.00 N ATOM 655 CA LYS A 46 -6.783 9.702 -9.750 1.00 0.00 C ATOM 656 C LYS A 46 -7.351 8.413 -9.165 1.00 0.00 C ATOM 657 O LYS A 46 -8.505 8.369 -8.740 1.00 0.00 O ATOM 658 CB LYS A 46 -7.923 10.658 -10.108 1.00 0.00 C ATOM 659 CG LYS A 46 -7.450 11.980 -10.687 1.00 0.00 C ATOM 660 CD LYS A 46 -6.838 12.870 -9.618 1.00 0.00 C ATOM 661 CE LYS A 46 -5.835 13.846 -10.213 1.00 0.00 C ATOM 662 NZ LYS A 46 -6.508 14.971 -10.919 1.00 0.00 N ATOM 0 H LYS A 46 -5.110 9.972 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.146 10.171 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.582 10.171 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.516 10.854 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.715 11.793 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.290 12.495 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.627 13.423 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.345 12.252 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.200 14.242 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.184 13.318 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.790 15.614 -11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.094 14.595 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.110 15.491 -10.249 1.00 0.00 H new ATOM 676 N ALA A 47 -6.533 7.366 -9.146 1.00 0.00 N ATOM 677 CA ALA A 47 -6.953 6.077 -8.611 1.00 0.00 C ATOM 678 C ALA A 47 -5.751 5.184 -8.323 1.00 0.00 C ATOM 679 O ALA A 47 -4.650 5.432 -8.814 1.00 0.00 O ATOM 680 CB ALA A 47 -7.906 5.389 -9.578 1.00 0.00 C ATOM 0 H ALA A 47 -5.575 7.385 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.474 6.254 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.211 4.427 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.785 6.015 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.404 5.231 -10.533 1.00 0.00 H new ATOM 686 N ILE A 48 -5.970 4.145 -7.524 1.00 0.00 N ATOM 687 CA ILE A 48 -4.905 3.215 -7.172 1.00 0.00 C ATOM 688 C ILE A 48 -5.417 1.779 -7.139 1.00 0.00 C ATOM 689 O ILE A 48 -6.621 1.540 -7.060 1.00 0.00 O ATOM 690 CB ILE A 48 -4.286 3.559 -5.804 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.157 3.007 -4.673 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.117 5.064 -5.663 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.738 3.484 -3.301 1.00 0.00 C ATOM 0 H ILE A 48 -6.875 3.926 -7.108 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.139 3.307 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.302 3.095 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.193 3.296 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.122 1.918 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.679 5.291 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.461 5.432 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.090 5.549 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.399 3.054 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.712 3.171 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.800 4.571 -3.259 1.00 0.00 H new ATOM 705 N ALA A 49 -4.492 0.825 -7.199 1.00 0.00 N ATOM 706 CA ALA A 49 -4.850 -0.588 -7.172 1.00 0.00 C ATOM 707 C ALA A 49 -3.690 -1.438 -6.665 1.00 0.00 C ATOM 708 O ALA A 49 -2.542 -1.239 -7.061 1.00 0.00 O ATOM 709 CB ALA A 49 -5.280 -1.050 -8.556 1.00 0.00 C ATOM 0 H ALA A 49 -3.490 1.005 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.686 -0.713 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.544 -2.107 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.144 -0.470 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.460 -0.904 -9.259 1.00 0.00 H new ATOM 715 N GLY A 50 -3.997 -2.386 -5.785 1.00 0.00 N ATOM 716 CA GLY A 50 -2.969 -3.251 -5.238 1.00 0.00 C ATOM 717 C GLY A 50 -3.541 -4.507 -4.610 1.00 0.00 C ATOM 718 O GLY A 50 -4.688 -4.518 -4.160 1.00 0.00 O ATOM 0 H GLY A 50 -4.940 -2.570 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.273 -3.529 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.397 -2.702 -4.490 1.00 0.00 H new ATOM 722 N THR A 51 -2.742 -5.569 -4.579 1.00 0.00 N ATOM 723 CA THR A 51 -3.177 -6.836 -4.005 1.00 0.00 C ATOM 724 C THR A 51 -2.418 -7.146 -2.720 1.00 0.00 C ATOM 725 O THR A 51 -1.188 -7.195 -2.710 1.00 0.00 O ATOM 726 CB THR A 51 -2.981 -7.999 -4.996 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.629 -8.020 -5.466 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.931 -7.869 -6.177 1.00 0.00 C ATOM 0 H THR A 51 -1.790 -5.577 -4.945 1.00 0.00 H new ATOM 0 HA THR A 51 -4.239 -6.734 -3.782 1.00 0.00 H new ATOM 0 HB THR A 51 -3.199 -8.931 -4.475 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.547 -7.442 -6.253 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.774 -8.701 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.960 -7.883 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.740 -6.930 -6.696 1.00 0.00 H new ATOM 736 N VAL A 52 -3.159 -7.354 -1.636 1.00 0.00 N ATOM 737 CA VAL A 52 -2.555 -7.661 -0.345 1.00 0.00 C ATOM 738 C VAL A 52 -2.676 -9.146 -0.021 1.00 0.00 C ATOM 739 O VAL A 52 -3.686 -9.780 -0.326 1.00 0.00 O ATOM 740 CB VAL A 52 -3.207 -6.846 0.788 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.614 -7.233 2.134 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.043 -5.355 0.532 1.00 0.00 C ATOM 0 H VAL A 52 -4.178 -7.315 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.501 -7.392 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.273 -7.073 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.087 -6.647 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.788 -8.293 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.542 -7.036 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.509 -4.793 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.982 -5.109 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.520 -5.093 -0.413 1.00 0.00 H new ATOM 752 N LYS A 53 -1.638 -9.697 0.600 1.00 0.00 N ATOM 753 CA LYS A 53 -1.627 -11.108 0.968 1.00 0.00 C ATOM 754 C LYS A 53 -1.979 -11.289 2.441 1.00 0.00 C ATOM 755 O LYS A 53 -1.779 -10.386 3.253 1.00 0.00 O ATOM 756 CB LYS A 53 -0.253 -11.719 0.683 1.00 0.00 C ATOM 757 CG LYS A 53 -0.010 -12.010 -0.788 1.00 0.00 C ATOM 758 CD LYS A 53 -0.789 -13.230 -1.252 1.00 0.00 C ATOM 759 CE LYS A 53 -0.221 -13.795 -2.544 1.00 0.00 C ATOM 760 NZ LYS A 53 -0.760 -15.152 -2.840 1.00 0.00 N ATOM 0 H LYS A 53 -0.793 -9.187 0.859 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.378 -11.620 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.519 -11.039 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.152 -12.645 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.300 -11.144 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.055 -12.171 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.764 -13.996 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.835 -12.961 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.457 -13.123 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.866 -13.843 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.176 -15.606 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.742 -15.729 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.739 -15.070 -3.181 1.00 0.00 H new ATOM 774 N VAL A 54 -2.505 -12.462 2.779 1.00 0.00 N ATOM 775 CA VAL A 54 -2.883 -12.762 4.154 1.00 0.00 C ATOM 776 C VAL A 54 -2.756 -14.253 4.446 1.00 0.00 C ATOM 777 O VAL A 54 -2.837 -15.082 3.540 1.00 0.00 O ATOM 778 CB VAL A 54 -4.327 -12.314 4.450 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.420 -10.796 4.478 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.286 -12.896 3.423 1.00 0.00 C ATOM 0 H VAL A 54 -2.679 -13.220 2.119 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.199 -12.209 4.798 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.611 -12.690 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.447 -10.498 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.763 -10.405 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.117 -10.395 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.301 -12.569 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.006 -12.552 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.239 -13.984 3.457 1.00 0.00 H new ATOM 790 N GLN A 55 -2.556 -14.587 5.717 1.00 0.00 N ATOM 791 CA GLN A 55 -2.417 -15.979 6.129 1.00 0.00 C ATOM 792 C GLN A 55 -3.782 -16.606 6.395 1.00 0.00 C ATOM 793 O GLN A 55 -4.738 -15.913 6.737 1.00 0.00 O ATOM 794 CB GLN A 55 -1.544 -16.078 7.380 1.00 0.00 C ATOM 795 CG GLN A 55 -0.055 -15.967 7.094 1.00 0.00 C ATOM 796 CD GLN A 55 0.791 -16.717 8.103 1.00 0.00 C ATOM 797 OE1 GLN A 55 1.382 -15.986 9.041 1.00 0.00 O flip ATOM 798 NE2 GLN A 55 0.913 -17.941 8.041 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.487 -13.913 6.479 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.938 -16.526 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.831 -15.290 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.740 -17.029 7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.149 -16.354 6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.234 -14.916 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.441 -18.464 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.486 -18.432 8.727 1.00 0.00 H new ATOM 807 N ASN A 56 -3.863 -17.923 6.236 1.00 0.00 N ATOM 808 CA ASN A 56 -5.111 -18.644 6.459 1.00 0.00 C ATOM 809 C ASN A 56 -5.188 -19.168 7.889 1.00 0.00 C ATOM 810 O ASN A 56 -5.438 -20.353 8.116 1.00 0.00 O ATOM 811 CB ASN A 56 -5.236 -19.806 5.471 1.00 0.00 C ATOM 812 CG ASN A 56 -3.966 -20.630 5.383 1.00 0.00 C ATOM 813 OD1 ASN A 56 -3.504 -21.186 6.380 1.00 0.00 O ATOM 814 ND2 ASN A 56 -3.395 -20.712 4.187 1.00 0.00 N ATOM 0 H ASN A 56 -3.080 -18.512 5.954 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.936 -17.950 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.063 -20.449 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.481 -19.415 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.538 -21.252 4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.813 -20.235 3.388 1.00 0.00 H new ATOM 821 N LEU A 57 -4.974 -18.278 8.852 1.00 0.00 N ATOM 822 CA LEU A 57 -5.021 -18.650 10.262 1.00 0.00 C ATOM 823 C LEU A 57 -6.431 -19.065 10.669 1.00 0.00 C ATOM 824 O LEU A 57 -6.638 -20.156 11.200 1.00 0.00 O ATOM 825 CB LEU A 57 -4.549 -17.484 11.132 1.00 0.00 C ATOM 826 CG LEU A 57 -3.214 -16.850 10.739 1.00 0.00 C ATOM 827 CD1 LEU A 57 -2.945 -15.609 11.576 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.081 -17.854 10.892 1.00 0.00 C ATOM 0 H LEU A 57 -4.766 -17.294 8.682 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.355 -19.500 10.411 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.316 -16.709 11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.473 -17.833 12.162 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.270 -16.552 9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.991 -15.172 11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.742 -14.883 11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.909 -15.882 12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.139 -17.385 10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.024 -18.183 11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.267 -18.714 10.248 1.00 0.00 H new ATOM 840 N ALA A 58 -7.397 -18.189 10.416 1.00 0.00 N ATOM 841 CA ALA A 58 -8.788 -18.467 10.752 1.00 0.00 C ATOM 842 C ALA A 58 -9.622 -18.693 9.496 1.00 0.00 C ATOM 843 O ALA A 58 -9.198 -18.361 8.389 1.00 0.00 O ATOM 844 CB ALA A 58 -9.369 -17.327 11.576 1.00 0.00 C ATOM 0 H ALA A 58 -7.242 -17.280 9.979 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.817 -19.381 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.408 -17.547 11.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.796 -17.215 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.319 -16.401 11.002 1.00 0.00 H new ATOM 850 N PHE A 59 -10.810 -19.261 9.674 1.00 0.00 N ATOM 851 CA PHE A 59 -11.703 -19.534 8.554 1.00 0.00 C ATOM 852 C PHE A 59 -12.120 -18.238 7.863 1.00 0.00 C ATOM 853 O PHE A 59 -11.932 -18.078 6.658 1.00 0.00 O ATOM 854 CB PHE A 59 -12.943 -20.290 9.035 1.00 0.00 C ATOM 855 CG PHE A 59 -13.697 -20.970 7.929 1.00 0.00 C ATOM 856 CD1 PHE A 59 -14.565 -20.253 7.121 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.538 -22.327 7.696 1.00 0.00 C ATOM 858 CE1 PHE A 59 -15.261 -20.877 6.103 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.230 -22.956 6.679 1.00 0.00 C ATOM 860 CZ PHE A 59 -15.092 -22.230 5.881 1.00 0.00 C ATOM 0 H PHE A 59 -11.177 -19.541 10.584 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.165 -20.152 7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.641 -21.036 9.770 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.609 -19.593 9.543 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.699 -19.195 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.865 -22.900 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -15.936 -20.307 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.097 -24.014 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.633 -22.719 5.085 1.00 0.00 H new ATOM 870 N GLU A 60 -12.686 -17.318 8.637 1.00 0.00 N ATOM 871 CA GLU A 60 -13.131 -16.037 8.099 1.00 0.00 C ATOM 872 C GLU A 60 -12.008 -15.005 8.153 1.00 0.00 C ATOM 873 O GLU A 60 -11.135 -15.066 9.018 1.00 0.00 O ATOM 874 CB GLU A 60 -14.346 -15.527 8.877 1.00 0.00 C ATOM 875 CG GLU A 60 -15.635 -16.257 8.539 1.00 0.00 C ATOM 876 CD GLU A 60 -15.968 -16.201 7.061 1.00 0.00 C ATOM 877 OE1 GLU A 60 -15.813 -15.117 6.460 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.383 -17.239 6.505 1.00 0.00 O ATOM 0 H GLU A 60 -12.847 -17.435 9.637 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.413 -16.187 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.151 -15.627 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.476 -14.464 8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.550 -17.299 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.455 -15.821 9.109 1.00 0.00 H new ATOM 885 N LYS A 61 -12.039 -14.058 7.222 1.00 0.00 N ATOM 886 CA LYS A 61 -11.026 -13.011 7.162 1.00 0.00 C ATOM 887 C LYS A 61 -11.666 -11.647 6.922 1.00 0.00 C ATOM 888 O LYS A 61 -12.742 -11.550 6.330 1.00 0.00 O ATOM 889 CB LYS A 61 -10.015 -13.314 6.054 1.00 0.00 C ATOM 890 CG LYS A 61 -9.173 -14.550 6.321 1.00 0.00 C ATOM 891 CD LYS A 61 -8.382 -14.961 5.090 1.00 0.00 C ATOM 892 CE LYS A 61 -7.993 -16.431 5.143 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.186 -17.321 5.128 1.00 0.00 N ATOM 0 H LYS A 61 -12.755 -13.994 6.498 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.508 -12.986 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.548 -13.444 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.356 -12.455 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.488 -14.354 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.819 -15.372 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.975 -14.772 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.484 -14.348 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.352 -16.668 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.410 -16.620 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.924 -18.246 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.537 -17.447 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.931 -16.892 4.543 1.00 0.00 H new ATOM 907 N THR A 62 -10.997 -10.595 7.383 1.00 0.00 N ATOM 908 CA THR A 62 -11.501 -9.237 7.218 1.00 0.00 C ATOM 909 C THR A 62 -10.396 -8.294 6.755 1.00 0.00 C ATOM 910 O THR A 62 -9.612 -7.797 7.563 1.00 0.00 O ATOM 911 CB THR A 62 -12.105 -8.699 8.528 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.174 -9.548 8.960 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.621 -7.280 8.343 1.00 0.00 C ATOM 0 H THR A 62 -10.105 -10.657 7.874 1.00 0.00 H new ATOM 0 HA THR A 62 -12.281 -9.279 6.458 1.00 0.00 H new ATOM 0 HB THR A 62 -11.322 -8.688 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.552 -9.200 9.795 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.043 -6.921 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.799 -6.630 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.391 -7.271 7.572 1.00 0.00 H new ATOM 921 N VAL A 63 -10.341 -8.050 5.449 1.00 0.00 N ATOM 922 CA VAL A 63 -9.333 -7.164 4.879 1.00 0.00 C ATOM 923 C VAL A 63 -9.948 -5.838 4.446 1.00 0.00 C ATOM 924 O VAL A 63 -10.866 -5.806 3.626 1.00 0.00 O ATOM 925 CB VAL A 63 -8.635 -7.813 3.669 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.545 -6.900 3.128 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.064 -9.171 4.049 1.00 0.00 C ATOM 0 H VAL A 63 -10.983 -8.453 4.766 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.595 -6.981 5.660 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.374 -7.962 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.063 -7.375 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.985 -5.953 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.804 -6.717 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.574 -9.615 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.338 -9.048 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.870 -9.824 4.385 1.00 0.00 H new ATOM 937 N LYS A 64 -9.437 -4.745 5.002 1.00 0.00 N ATOM 938 CA LYS A 64 -9.934 -3.415 4.672 1.00 0.00 C ATOM 939 C LYS A 64 -8.796 -2.399 4.651 1.00 0.00 C ATOM 940 O LYS A 64 -7.937 -2.397 5.533 1.00 0.00 O ATOM 941 CB LYS A 64 -10.999 -2.982 5.682 1.00 0.00 C ATOM 942 CG LYS A 64 -12.395 -3.474 5.342 1.00 0.00 C ATOM 943 CD LYS A 64 -13.248 -3.638 6.589 1.00 0.00 C ATOM 944 CE LYS A 64 -14.361 -4.652 6.374 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.561 -4.343 7.200 1.00 0.00 N ATOM 0 H LYS A 64 -8.678 -4.754 5.684 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.379 -3.457 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.723 -3.352 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.011 -1.894 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.874 -2.770 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.328 -4.427 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.620 -3.956 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.679 -2.676 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.640 -4.667 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.997 -5.649 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.296 -5.057 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.301 -4.353 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.924 -3.402 6.946 1.00 0.00 H new ATOM 959 N ILE A 65 -8.798 -1.537 3.640 1.00 0.00 N ATOM 960 CA ILE A 65 -7.767 -0.515 3.506 1.00 0.00 C ATOM 961 C ILE A 65 -8.272 0.841 3.989 1.00 0.00 C ATOM 962 O ILE A 65 -9.234 1.385 3.447 1.00 0.00 O ATOM 963 CB ILE A 65 -7.291 -0.383 2.047 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.763 -1.725 1.537 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.220 0.691 1.935 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.369 -2.051 2.026 1.00 0.00 C ATOM 0 H ILE A 65 -9.502 -1.526 2.902 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.928 -0.830 4.126 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.139 -0.089 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.444 -2.517 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.764 -1.716 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.894 0.773 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.628 1.647 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.370 0.424 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.059 -3.016 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.676 -1.280 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.366 -2.092 3.115 1.00 0.00 H new ATOM 978 N ARG A 66 -7.614 1.382 5.009 1.00 0.00 N ATOM 979 CA ARG A 66 -7.995 2.675 5.565 1.00 0.00 C ATOM 980 C ARG A 66 -6.952 3.738 5.234 1.00 0.00 C ATOM 981 O ARG A 66 -5.822 3.684 5.719 1.00 0.00 O ATOM 982 CB ARG A 66 -8.170 2.571 7.081 1.00 0.00 C ATOM 983 CG ARG A 66 -9.298 1.643 7.502 1.00 0.00 C ATOM 984 CD ARG A 66 -9.744 1.920 8.929 1.00 0.00 C ATOM 985 NE ARG A 66 -10.486 0.798 9.498 1.00 0.00 N ATOM 986 CZ ARG A 66 -11.313 0.913 10.531 1.00 0.00 C ATOM 987 NH1 ARG A 66 -11.503 2.093 11.105 1.00 0.00 N ATOM 988 NH2 ARG A 66 -11.952 -0.155 10.992 1.00 0.00 N ATOM 0 H ARG A 66 -6.814 0.945 5.467 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.944 2.970 5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.238 2.219 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.359 3.565 7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.143 1.766 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.969 0.607 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.871 2.128 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.368 2.814 8.947 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.362 -0.124 9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.013 2.916 10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.139 2.178 11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.808 -1.064 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.587 -0.066 11.785 1.00 0.00 H new ATOM 1002 N MET A 67 -7.338 4.701 4.404 1.00 0.00 N ATOM 1003 CA MET A 67 -6.436 5.777 4.009 1.00 0.00 C ATOM 1004 C MET A 67 -7.019 7.138 4.375 1.00 0.00 C ATOM 1005 O MET A 67 -8.222 7.366 4.242 1.00 0.00 O ATOM 1006 CB MET A 67 -6.161 5.714 2.506 1.00 0.00 C ATOM 1007 CG MET A 67 -5.507 6.971 1.955 1.00 0.00 C ATOM 1008 SD MET A 67 -4.437 6.635 0.543 1.00 0.00 S ATOM 1009 CE MET A 67 -5.649 6.445 -0.762 1.00 0.00 C ATOM 0 H MET A 67 -8.269 4.759 3.992 1.00 0.00 H new ATOM 0 HA MET A 67 -5.498 5.647 4.549 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.518 4.859 2.298 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.100 5.542 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.281 7.679 1.659 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.924 7.448 2.743 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.519 5.474 -1.241 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.652 6.510 -0.340 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.515 7.235 -1.501 1.00 0.00 H new ATOM 1019 N THR A 68 -6.160 8.040 4.839 1.00 0.00 N ATOM 1020 CA THR A 68 -6.590 9.378 5.225 1.00 0.00 C ATOM 1021 C THR A 68 -6.046 10.429 4.266 1.00 0.00 C ATOM 1022 O THR A 68 -5.140 10.156 3.477 1.00 0.00 O ATOM 1023 CB THR A 68 -6.137 9.722 6.657 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.776 10.925 7.098 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.626 9.892 6.720 1.00 0.00 C ATOM 0 H THR A 68 -5.162 7.868 4.957 1.00 0.00 H new ATOM 0 HA THR A 68 -7.679 9.384 5.185 1.00 0.00 H new ATOM 0 HB THR A 68 -6.422 8.899 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.674 10.979 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.329 10.134 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.142 8.965 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.322 10.699 6.053 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.603 11.634 4.337 1.00 0.00 N ATOM 1034 CA PHE A 69 -6.173 12.727 3.474 1.00 0.00 C ATOM 1035 C PHE A 69 -5.986 14.012 4.275 1.00 0.00 C ATOM 1036 O PHE A 69 -5.775 15.085 3.709 1.00 0.00 O ATOM 1037 CB PHE A 69 -7.193 12.954 2.356 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.484 11.720 1.551 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.702 11.392 0.455 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.541 10.890 1.888 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.967 10.257 -0.288 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.810 9.754 1.149 1.00 0.00 C ATOM 1043 CZ PHE A 69 -8.023 9.437 0.059 1.00 0.00 C ATOM 0 H PHE A 69 -7.353 11.878 4.984 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.215 12.452 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.122 13.321 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.823 13.734 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.876 12.030 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.161 11.134 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.349 10.012 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.635 9.114 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.233 8.550 -0.521 1.00 0.00 H new ATOM 1053 N ASP A 70 -6.065 13.895 5.596 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.904 15.046 6.477 1.00 0.00 C ATOM 1055 C ASP A 70 -4.991 14.708 7.652 1.00 0.00 C ATOM 1056 O ASP A 70 -5.447 14.564 8.786 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.265 15.515 6.992 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.221 15.863 5.868 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.040 16.930 5.245 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.151 15.069 5.612 1.00 0.00 O ATOM 0 H ASP A 70 -6.240 13.015 6.080 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.444 15.850 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.705 14.733 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.127 16.387 7.631 1.00 0.00 H new ATOM 1065 N THR A 71 -3.697 14.581 7.372 1.00 0.00 N ATOM 1066 CA THR A 71 -2.720 14.258 8.403 1.00 0.00 C ATOM 1067 C THR A 71 -3.321 13.340 9.462 1.00 0.00 C ATOM 1068 O THR A 71 -3.142 13.559 10.660 1.00 0.00 O ATOM 1069 CB THR A 71 -2.184 15.529 9.087 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.835 16.507 8.100 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.968 15.211 9.944 1.00 0.00 C ATOM 0 H THR A 71 -3.302 14.697 6.439 1.00 0.00 H new ATOM 0 HA THR A 71 -1.895 13.746 7.907 1.00 0.00 H new ATOM 0 HB THR A 71 -2.969 15.926 9.731 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.497 17.313 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.607 16.124 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.243 14.489 10.713 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.181 14.792 9.317 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.034 12.314 9.012 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.661 11.362 9.922 1.00 0.00 C ATOM 1081 C TRP A 72 -5.723 12.045 10.777 1.00 0.00 C ATOM 1082 O TRP A 72 -5.740 11.899 11.999 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.607 10.713 10.820 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.553 9.969 10.057 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.308 10.421 9.725 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.654 8.642 9.529 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.629 9.455 9.023 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.433 8.353 8.890 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.657 7.668 9.536 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.190 7.134 8.264 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.414 6.458 8.914 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.189 6.199 8.286 1.00 0.00 C ATOM 0 H TRP A 72 -4.192 12.120 8.023 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.144 10.590 9.323 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.131 11.484 11.425 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.100 10.027 11.509 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.915 11.395 9.977 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.320 9.544 8.660 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.604 7.858 10.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.247 6.933 7.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.182 5.699 8.912 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.030 5.243 7.810 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.610 12.791 10.126 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.677 13.496 10.826 1.00 0.00 C ATOM 1105 C LYS A 73 -9.046 13.001 10.370 1.00 0.00 C ATOM 1106 O LYS A 73 -10.016 13.045 11.127 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.563 15.004 10.587 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.410 15.652 11.332 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.722 17.094 11.697 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.594 18.014 10.492 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.290 19.312 10.709 1.00 0.00 N ATOM 0 H LYS A 73 -6.611 12.923 9.115 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.573 13.294 11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.443 15.186 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.495 15.483 10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.196 15.085 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.512 15.618 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.733 17.158 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.044 17.426 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.540 18.197 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.010 17.521 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.179 19.910 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.301 19.139 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.876 19.794 11.532 1.00 0.00 H new ATOM 1125 N SER A 74 -9.117 12.528 9.130 1.00 0.00 N ATOM 1126 CA SER A 74 -10.367 12.026 8.573 1.00 0.00 C ATOM 1127 C SER A 74 -10.101 11.031 7.448 1.00 0.00 C ATOM 1128 O SER A 74 -9.497 11.374 6.431 1.00 0.00 O ATOM 1129 CB SER A 74 -11.220 13.185 8.053 1.00 0.00 C ATOM 1130 OG SER A 74 -11.577 14.067 9.103 1.00 0.00 O ATOM 0 H SER A 74 -8.323 12.482 8.492 1.00 0.00 H new ATOM 0 HA SER A 74 -10.909 11.513 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.669 13.731 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.121 12.794 7.580 1.00 0.00 H new ATOM 0 HG SER A 74 -12.120 14.800 8.744 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.555 9.797 7.638 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.364 8.751 6.641 1.00 0.00 C ATOM 1138 C TYR A 75 -11.635 7.926 6.466 1.00 0.00 C ATOM 1139 O TYR A 75 -12.635 8.150 7.150 1.00 0.00 O ATOM 1140 CB TYR A 75 -9.203 7.839 7.044 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.146 7.551 8.527 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.975 6.595 9.101 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.265 8.236 9.354 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.927 6.329 10.456 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.209 7.975 10.710 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.042 7.021 11.256 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.990 6.759 12.606 1.00 0.00 O ATOM 0 H TYR A 75 -11.058 9.497 8.473 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.129 9.230 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.287 6.897 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.265 8.301 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.669 6.051 8.477 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.613 8.985 8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.579 5.583 10.886 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.517 8.515 11.339 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.313 7.331 13.024 1.00 0.00 H new ATOM 1157 N THR A 76 -11.590 6.969 5.544 1.00 0.00 N ATOM 1158 CA THR A 76 -12.737 6.111 5.277 1.00 0.00 C ATOM 1159 C THR A 76 -12.306 4.662 5.082 1.00 0.00 C ATOM 1160 O THR A 76 -11.324 4.384 4.393 1.00 0.00 O ATOM 1161 CB THR A 76 -13.510 6.577 4.029 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.925 7.938 4.190 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.726 5.696 3.785 1.00 0.00 C ATOM 0 H THR A 76 -10.771 6.769 4.970 1.00 0.00 H new ATOM 0 HA THR A 76 -13.391 6.179 6.146 1.00 0.00 H new ATOM 0 HB THR A 76 -12.847 6.499 3.168 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.414 8.227 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.256 6.045 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.404 4.666 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.390 5.746 4.648 1.00 0.00 H new ATOM 1171 N ASP A 77 -13.045 3.742 5.692 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.739 2.320 5.583 1.00 0.00 C ATOM 1173 C ASP A 77 -13.250 1.754 4.262 1.00 0.00 C ATOM 1174 O ASP A 77 -14.455 1.722 4.013 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.356 1.553 6.754 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.846 1.333 6.581 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.536 2.270 6.125 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.323 0.225 6.900 1.00 0.00 O ATOM 0 H ASP A 77 -13.860 3.955 6.267 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.656 2.203 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.859 0.588 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.178 2.102 7.679 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.325 1.309 3.418 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.682 0.746 2.121 1.00 0.00 C ATOM 1185 C PHE A 78 -12.580 -0.777 2.142 1.00 0.00 C ATOM 1186 O PHE A 78 -11.520 -1.350 2.391 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.774 1.313 1.028 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.607 2.804 1.100 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.709 3.642 1.029 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.349 3.368 1.240 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.559 5.014 1.096 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.194 4.740 1.308 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.300 5.564 1.235 1.00 0.00 C ATOM 0 H PHE A 78 -11.323 1.327 3.609 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.715 1.021 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.794 0.842 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.183 1.048 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.696 3.218 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.480 2.729 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.426 5.656 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.208 5.167 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.180 6.636 1.287 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.710 -1.448 1.876 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.776 -2.912 1.858 1.00 0.00 C ATOM 1205 C PRO A 79 -13.024 -3.512 0.675 1.00 0.00 C ATOM 1206 O PRO A 79 -13.079 -2.987 -0.438 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.275 -3.199 1.741 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.843 -1.986 1.088 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.011 -0.830 1.570 1.00 0.00 C ATOM 0 HA PRO A 79 -13.312 -3.351 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.462 -4.093 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.723 -3.368 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.801 -2.071 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.891 -1.852 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.919 -0.056 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.449 -0.359 2.450 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.324 -4.614 0.922 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.561 -5.285 -0.124 1.00 0.00 C ATOM 1219 C CYS A 80 -12.313 -6.504 -0.649 1.00 0.00 C ATOM 1220 O CYS A 80 -13.137 -7.087 0.055 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.190 -5.706 0.406 1.00 0.00 C ATOM 1222 SG CYS A 80 -9.017 -4.342 0.587 1.00 0.00 S ATOM 0 H CYS A 80 -12.269 -5.061 1.837 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.424 -4.583 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.320 -6.190 1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.765 -6.450 -0.268 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.833 -4.818 0.838 1.00 0.00 H new ATOM 1228 N GLN A 81 -12.024 -6.882 -1.890 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.676 -8.030 -2.510 1.00 0.00 C ATOM 1230 C GLN A 81 -11.722 -9.217 -2.593 1.00 0.00 C ATOM 1231 O GLN A 81 -10.522 -9.080 -2.354 1.00 0.00 O ATOM 1232 CB GLN A 81 -13.178 -7.665 -3.908 1.00 0.00 C ATOM 1233 CG GLN A 81 -12.088 -7.143 -4.829 1.00 0.00 C ATOM 1234 CD GLN A 81 -12.519 -7.106 -6.282 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -12.512 -6.052 -6.918 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -12.899 -8.261 -6.816 1.00 0.00 N ATOM 0 H GLN A 81 -11.343 -6.411 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.526 -8.313 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.635 -8.544 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.959 -6.910 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.801 -6.140 -4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.204 -7.773 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.889 -9.111 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.200 -8.298 -7.790 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.263 -10.381 -2.934 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.461 -11.593 -3.046 1.00 0.00 C ATOM 1247 C TYR A 82 -11.258 -11.979 -4.509 1.00 0.00 C ATOM 1248 O TYR A 82 -12.221 -12.182 -5.249 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.129 -12.744 -2.292 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.475 -14.086 -2.532 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.239 -14.388 -1.974 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -12.093 -15.052 -3.317 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -9.637 -15.613 -2.191 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -11.500 -16.279 -3.539 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.272 -16.555 -2.974 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.677 -17.776 -3.193 1.00 0.00 O ATOM 0 H TYR A 82 -13.254 -10.511 -3.138 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.485 -11.394 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.111 -12.526 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.176 -12.802 -2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.740 -13.653 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.054 -14.839 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.675 -15.832 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.995 -17.018 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.255 -18.324 -3.764 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.998 -12.078 -4.918 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.666 -12.441 -6.291 1.00 0.00 C ATOM 1268 C VAL A 83 -9.696 -13.953 -6.482 1.00 0.00 C ATOM 1269 O VAL A 83 -8.761 -14.657 -6.102 1.00 0.00 O ATOM 1270 CB VAL A 83 -8.276 -11.912 -6.691 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -8.006 -12.182 -8.164 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -8.163 -10.426 -6.384 1.00 0.00 C ATOM 0 H VAL A 83 -9.190 -11.912 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.419 -11.982 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.523 -12.439 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.020 -11.801 -8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.043 -13.255 -8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.762 -11.683 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.175 -10.069 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.924 -9.880 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.310 -10.263 -5.316 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.690 -16.859 0.051 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.735 -16.007 -0.506 1.00 0.00 C ATOM 1417 C ASP A 93 -5.168 -14.654 -0.924 1.00 0.00 C ATOM 1418 O ASP A 93 -4.233 -14.142 -0.306 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.858 -15.811 0.513 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.468 -17.123 0.963 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.837 -17.937 0.090 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -7.576 -17.338 2.188 1.00 0.00 O ATOM 0 HA ASP A 93 -6.139 -16.500 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.468 -15.279 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.635 -15.183 0.077 1.00 0.00 H new ATOM 1427 N THR A 94 -5.738 -14.079 -1.978 1.00 0.00 N ATOM 1428 CA THR A 94 -5.289 -12.787 -2.481 1.00 0.00 C ATOM 1429 C THR A 94 -6.454 -11.814 -2.616 1.00 0.00 C ATOM 1430 O THR A 94 -7.407 -12.069 -3.353 1.00 0.00 O ATOM 1431 CB THR A 94 -4.591 -12.928 -3.847 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.472 -13.814 -3.737 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.124 -11.573 -4.358 1.00 0.00 C ATOM 0 H THR A 94 -6.513 -14.488 -2.500 1.00 0.00 H new ATOM 0 HA THR A 94 -4.576 -12.396 -1.755 1.00 0.00 H new ATOM 0 HB THR A 94 -5.309 -13.338 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.035 -13.899 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.634 -11.697 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.982 -10.911 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.420 -11.139 -3.648 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.373 -10.698 -1.899 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.422 -9.686 -1.939 1.00 0.00 C ATOM 1443 C PHE A 95 -6.935 -8.426 -2.649 1.00 0.00 C ATOM 1444 O PHE A 95 -5.817 -7.965 -2.423 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.880 -9.340 -0.521 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.422 -10.518 0.238 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -9.769 -10.838 0.177 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -7.585 -11.305 1.012 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -10.270 -11.920 0.874 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -8.080 -12.390 1.711 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.425 -12.698 1.641 1.00 0.00 C ATOM 0 H PHE A 95 -5.592 -10.472 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.265 -10.094 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.040 -8.918 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.647 -8.568 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.435 -10.234 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.533 -11.068 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -11.322 -12.158 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.417 -12.996 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.815 -13.546 2.185 1.00 0.00 H new ATOM 1461 N SER A 96 -7.785 -7.874 -3.510 1.00 0.00 N ATOM 1462 CA SER A 96 -7.441 -6.670 -4.258 1.00 0.00 C ATOM 1463 C SER A 96 -8.171 -5.454 -3.695 1.00 0.00 C ATOM 1464 O SER A 96 -9.227 -5.581 -3.076 1.00 0.00 O ATOM 1465 CB SER A 96 -7.787 -6.847 -5.738 1.00 0.00 C ATOM 1466 OG SER A 96 -7.092 -5.908 -6.540 1.00 0.00 O ATOM 0 H SER A 96 -8.716 -8.241 -3.707 1.00 0.00 H new ATOM 0 HA SER A 96 -6.368 -6.505 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.534 -7.859 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.861 -6.727 -5.880 1.00 0.00 H new ATOM 0 HG SER A 96 -7.329 -6.043 -7.481 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.598 -4.275 -3.914 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.192 -3.035 -3.429 1.00 0.00 C ATOM 1474 C PHE A 97 -8.077 -1.930 -4.475 1.00 0.00 C ATOM 1475 O PHE A 97 -7.007 -1.705 -5.041 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.515 -2.595 -2.129 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.106 -2.113 -2.322 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.854 -0.822 -2.758 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.032 -2.950 -2.066 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.558 -0.376 -2.936 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.734 -2.510 -2.242 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.497 -1.220 -2.677 1.00 0.00 C ATOM 0 H PHE A 97 -6.723 -4.152 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.249 -3.219 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.104 -1.799 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.512 -3.430 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.680 -0.157 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.212 -3.959 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.376 0.632 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.906 -3.173 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.484 -0.873 -2.814 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.187 -1.245 -4.727 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.212 -0.163 -5.705 1.00 0.00 C ATOM 1494 C ASP A 98 -9.799 1.106 -5.097 1.00 0.00 C ATOM 1495 O ASP A 98 -11.016 1.230 -4.951 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.022 -0.577 -6.935 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.290 -1.323 -6.568 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.216 -2.552 -6.360 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.356 -0.677 -6.488 1.00 0.00 O ATOM 0 H ASP A 98 -10.081 -1.419 -4.268 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.186 0.043 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.280 0.311 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.406 -1.207 -7.577 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.928 2.044 -4.742 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.361 3.304 -4.149 1.00 0.00 C ATOM 1506 C ILE A 99 -9.267 4.446 -5.155 1.00 0.00 C ATOM 1507 O ILE A 99 -8.360 4.482 -5.986 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.524 3.658 -2.906 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.789 2.655 -1.782 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.835 5.074 -2.445 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.728 2.660 -0.705 1.00 0.00 C ATOM 0 H ILE A 99 -7.918 1.956 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.401 3.172 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.468 3.606 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.756 2.876 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.858 1.654 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.236 5.310 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.599 5.777 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.893 5.151 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.981 1.925 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.762 2.409 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.674 3.650 -0.252 1.00 0.00 H new ATOM 1523 N SER A 100 -10.210 5.379 -5.073 1.00 0.00 N ATOM 1524 CA SER A 100 -10.235 6.523 -5.977 1.00 0.00 C ATOM 1525 C SER A 100 -9.666 7.765 -5.298 1.00 0.00 C ATOM 1526 O SER A 100 -10.250 8.291 -4.350 1.00 0.00 O ATOM 1527 CB SER A 100 -11.665 6.795 -6.449 1.00 0.00 C ATOM 1528 OG SER A 100 -12.493 7.188 -5.368 1.00 0.00 O ATOM 0 H SER A 100 -10.967 5.365 -4.390 1.00 0.00 H new ATOM 0 HA SER A 100 -9.614 6.286 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.658 7.577 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.073 5.899 -6.917 1.00 0.00 H new ATOM 0 HG SER A 100 -11.936 7.519 -4.633 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.522 8.228 -5.789 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.872 9.408 -5.231 1.00 0.00 C ATOM 1536 C LEU A 101 -8.814 10.608 -5.247 1.00 0.00 C ATOM 1537 O LEU A 101 -9.731 10.698 -6.064 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.601 9.734 -6.017 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.477 8.700 -5.934 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.333 9.080 -6.861 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.982 8.564 -4.502 1.00 0.00 C ATOM 0 H LEU A 101 -8.025 7.804 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.607 9.191 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.870 9.866 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.215 10.690 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.872 7.736 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.543 8.333 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.696 9.125 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.939 10.054 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.183 7.824 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.604 9.526 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.804 8.245 -3.862 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.585 11.553 -4.324 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.401 12.766 -4.212 1.00 0.00 C ATOM 1555 C PRO A 102 -9.186 13.719 -5.383 1.00 0.00 C ATOM 1556 O PRO A 102 -8.323 13.491 -6.230 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.914 13.403 -2.908 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.523 12.898 -2.737 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.510 11.511 -3.318 1.00 0.00 C ATOM 0 HA PRO A 102 -10.468 12.542 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.936 14.491 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.546 13.116 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.809 13.542 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.240 12.883 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.547 11.273 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.701 10.755 -2.557 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.166 15.629 4.222 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.483 14.345 4.115 1.00 0.00 C ATOM 1689 C ARG A 110 -1.469 13.232 3.772 1.00 0.00 C ATOM 1690 O ARG A 110 -2.610 13.236 4.235 1.00 0.00 O ATOM 1691 CB ARG A 110 0.239 14.017 5.422 1.00 0.00 C ATOM 1692 CG ARG A 110 1.403 13.054 5.250 1.00 0.00 C ATOM 1693 CD ARG A 110 2.621 13.752 4.666 1.00 0.00 C ATOM 1694 NE ARG A 110 3.124 14.803 5.545 1.00 0.00 N ATOM 1695 CZ ARG A 110 2.716 16.066 5.490 1.00 0.00 C ATOM 1696 NH1 ARG A 110 1.803 16.433 4.601 1.00 0.00 N ATOM 1697 NH2 ARG A 110 3.222 16.965 6.325 1.00 0.00 N ATOM 0 HA ARG A 110 0.250 14.417 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.606 14.942 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.476 13.588 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.660 12.617 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.105 12.234 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.409 13.019 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.363 14.182 3.698 1.00 0.00 H new ATOM 0 HE ARG A 110 3.828 14.554 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.412 15.745 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.491 17.403 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.925 16.686 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.908 17.935 6.282 1.00 0.00 H new ATOM 1711 N MET A 111 -1.022 12.282 2.958 1.00 0.00 N ATOM 1712 CA MET A 111 -1.865 11.162 2.555 1.00 0.00 C ATOM 1713 C MET A 111 -1.144 9.835 2.766 1.00 0.00 C ATOM 1714 O MET A 111 -0.092 9.589 2.177 1.00 0.00 O ATOM 1715 CB MET A 111 -2.272 11.306 1.087 1.00 0.00 C ATOM 1716 CG MET A 111 -2.871 10.040 0.496 1.00 0.00 C ATOM 1717 SD MET A 111 -3.439 10.268 -1.200 1.00 0.00 S ATOM 1718 CE MET A 111 -1.921 10.783 -2.000 1.00 0.00 C ATOM 0 H MET A 111 -0.081 12.265 2.564 1.00 0.00 H new ATOM 0 HA MET A 111 -2.760 11.171 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.995 12.117 0.997 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.398 11.592 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 111 -2.127 9.244 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.707 9.715 1.115 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.013 11.820 -2.322 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.091 10.693 -1.299 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.733 10.149 -2.867 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.717 8.983 3.611 1.00 0.00 N ATOM 1729 CA GLU A 112 -1.127 7.681 3.900 1.00 0.00 C ATOM 1730 C GLU A 112 -2.210 6.629 4.116 1.00 0.00 C ATOM 1731 O GLU A 112 -3.335 6.949 4.502 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.229 7.767 5.137 1.00 0.00 C ATOM 1733 CG GLU A 112 0.623 9.024 5.184 1.00 0.00 C ATOM 1734 CD GLU A 112 -0.092 10.189 5.841 1.00 0.00 C ATOM 1735 OE1 GLU A 112 -1.005 10.758 5.208 1.00 0.00 O ATOM 1736 OE2 GLU A 112 0.263 10.531 6.988 1.00 0.00 O ATOM 0 H GLU A 112 -2.588 9.171 4.107 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.524 7.385 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.851 7.726 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.424 6.894 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.544 8.814 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.909 9.303 4.170 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.863 5.371 3.865 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.805 4.270 4.030 1.00 0.00 C ATOM 1745 C PHE A 113 -2.142 3.086 4.728 1.00 0.00 C ATOM 1746 O PHE A 113 -0.944 2.851 4.570 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.355 3.833 2.671 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.466 2.861 1.949 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.436 1.525 2.317 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.660 3.282 0.904 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.619 0.627 1.655 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.842 2.389 0.238 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.821 1.061 0.615 1.00 0.00 C ATOM 0 H PHE A 113 -0.936 5.089 3.546 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.629 4.620 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.336 3.379 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.500 4.714 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.058 1.181 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.671 4.320 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.605 -0.412 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.220 2.730 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.181 0.362 0.097 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.930 2.345 5.500 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.420 1.185 6.221 1.00 0.00 C ATOM 1765 C ALA A 114 -3.377 0.004 6.106 1.00 0.00 C ATOM 1766 O ALA A 114 -4.573 0.132 6.370 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.183 1.534 7.682 1.00 0.00 C ATOM 0 H ALA A 114 -3.923 2.527 5.642 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.471 0.896 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.802 0.659 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.455 2.343 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.121 1.851 8.137 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.844 -1.148 5.709 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.651 -2.353 5.560 1.00 0.00 C ATOM 1775 C VAL A 115 -4.142 -2.857 6.912 1.00 0.00 C ATOM 1776 O VAL A 115 -3.367 -2.968 7.863 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.860 -3.475 4.861 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.769 -4.653 4.547 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.197 -2.951 3.597 1.00 0.00 C ATOM 0 H VAL A 115 -1.857 -1.272 5.485 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.509 -2.085 4.943 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.078 -3.820 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.193 -5.436 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.192 -5.043 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.574 -4.326 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.643 -3.757 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.960 -2.577 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.513 -2.142 3.854 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.432 -3.162 6.991 1.00 0.00 N ATOM 1790 CA TYR A 116 -6.027 -3.653 8.228 1.00 0.00 C ATOM 1791 C TYR A 116 -6.597 -5.056 8.039 1.00 0.00 C ATOM 1792 O TYR A 116 -7.663 -5.231 7.449 1.00 0.00 O ATOM 1793 CB TYR A 116 -7.128 -2.703 8.702 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.229 -3.391 9.477 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.938 -4.192 10.573 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.561 -3.238 9.112 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.941 -4.823 11.283 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.571 -3.863 9.817 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.256 -4.655 10.902 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.259 -5.281 11.607 1.00 0.00 O ATOM 0 H TYR A 116 -6.086 -3.078 6.213 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.244 -3.697 8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.684 -1.929 9.328 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.562 -2.203 7.836 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.910 -4.324 10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.811 -2.620 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.697 -5.445 12.132 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.601 -3.733 9.521 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.127 -5.058 11.209 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.878 -6.052 8.545 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.310 -7.440 8.431 1.00 0.00 C ATOM 1812 C TYR A 117 -6.698 -8.004 9.795 1.00 0.00 C ATOM 1813 O TYR A 117 -5.840 -8.260 10.639 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.201 -8.292 7.812 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.444 -9.780 7.928 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.639 -10.344 7.500 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.477 -10.621 8.464 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.865 -11.703 7.605 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.694 -11.982 8.571 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.890 -12.517 8.141 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.111 -13.872 8.246 1.00 0.00 O ATOM 0 H TYR A 117 -4.994 -5.924 9.038 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.186 -7.469 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -5.098 -8.030 6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.255 -8.048 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.404 -9.710 7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.540 -10.205 8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.800 -12.125 7.269 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.931 -12.622 8.989 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.519 -14.349 7.627 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.997 -8.194 10.002 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.499 -8.727 11.263 1.00 0.00 C ATOM 1833 C GLU A 118 -8.695 -10.238 11.176 1.00 0.00 C ATOM 1834 O GLU A 118 -9.427 -10.731 10.317 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.820 -8.051 11.638 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.068 -7.991 13.136 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.545 -7.997 13.483 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.348 -7.506 12.662 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.896 -8.492 14.574 1.00 0.00 O ATOM 0 H GLU A 118 -8.720 -7.987 9.313 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.760 -8.518 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.827 -7.038 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.641 -8.588 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.582 -8.841 13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.607 -7.090 13.541 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.035 -10.966 12.069 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.135 -12.421 12.093 1.00 0.00 C ATOM 1848 C CYS A 119 -7.887 -12.960 13.498 1.00 0.00 C ATOM 1849 O CYS A 119 -7.000 -12.487 14.207 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.136 -13.038 11.114 1.00 0.00 C ATOM 1851 SG CYS A 119 -5.410 -12.623 11.461 1.00 0.00 S ATOM 0 H CYS A 119 -7.425 -10.573 12.786 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.146 -12.696 11.791 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.249 -14.122 11.132 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.382 -12.708 10.105 1.00 0.00 H new ATOM 0 HG CYS A 119 -4.835 -12.210 10.371 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.679 -13.952 13.894 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.547 -14.554 15.216 1.00 0.00 C ATOM 1859 C ASN A 120 -8.642 -13.494 16.309 1.00 0.00 C ATOM 1860 O ASN A 120 -7.849 -13.483 17.249 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.216 -15.300 15.329 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.235 -16.630 14.601 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.140 -17.443 14.794 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.235 -16.858 13.758 1.00 0.00 N ATOM 0 H ASN A 120 -9.418 -14.355 13.319 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.365 -15.262 15.348 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.418 -14.678 14.923 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.985 -15.468 16.381 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.195 -17.735 13.239 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.506 -16.156 13.629 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.620 -12.602 16.177 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.802 -11.550 17.160 1.00 0.00 C ATOM 1873 C GLY A 121 -8.561 -10.697 17.333 1.00 0.00 C ATOM 1874 O GLY A 121 -8.288 -10.203 18.427 1.00 0.00 O ATOM 0 H GLY A 121 -10.289 -12.590 15.407 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.636 -10.916 16.859 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.070 -11.995 18.118 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.807 -10.526 16.252 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.587 -9.728 16.290 1.00 0.00 C ATOM 1880 C GLN A 122 -6.616 -8.638 15.224 1.00 0.00 C ATOM 1881 O GLN A 122 -7.497 -8.618 14.364 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.362 -10.622 16.089 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.152 -11.627 17.210 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.269 -12.787 16.795 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.603 -13.414 15.673 1.00 0.00 O flip ATOM 1886 NE2 GLN A 122 -3.297 -13.117 17.475 1.00 0.00 N flip ATOM 0 H GLN A 122 -8.019 -10.929 15.339 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.524 -9.252 17.268 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.465 -11.159 15.146 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.475 -9.995 16.004 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.704 -11.122 18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.119 -12.010 17.536 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.076 -12.607 18.331 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.712 -13.900 17.183 1.00 0.00 H new ATOM 1895 N THR A 123 -5.647 -7.729 15.288 1.00 0.00 N ATOM 1896 CA THR A 123 -5.562 -6.635 14.330 1.00 0.00 C ATOM 1897 C THR A 123 -4.116 -6.366 13.929 1.00 0.00 C ATOM 1898 O THR A 123 -3.269 -6.082 14.776 1.00 0.00 O ATOM 1899 CB THR A 123 -6.174 -5.341 14.900 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.422 -5.629 15.538 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.387 -4.312 13.799 1.00 0.00 C ATOM 0 H THR A 123 -4.911 -7.730 15.994 1.00 0.00 H new ATOM 0 HA THR A 123 -6.129 -6.940 13.451 1.00 0.00 H new ATOM 0 HB THR A 123 -5.479 -4.929 15.632 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.804 -4.802 15.899 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.820 -3.407 14.225 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.430 -4.073 13.335 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.064 -4.718 13.047 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.840 -6.456 12.633 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.495 -6.224 12.119 1.00 0.00 C ATOM 1911 C TYR A 124 -2.471 -5.027 11.174 1.00 0.00 C ATOM 1912 O TYR A 124 -3.311 -4.911 10.282 1.00 0.00 O ATOM 1913 CB TYR A 124 -1.981 -7.470 11.396 1.00 0.00 C ATOM 1914 CG TYR A 124 -1.892 -8.692 12.282 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -0.891 -8.810 13.238 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -2.810 -9.728 12.163 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -0.806 -9.925 14.049 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -2.734 -10.846 12.971 1.00 0.00 C ATOM 1919 CZ TYR A 124 -1.730 -10.940 13.912 1.00 0.00 C ATOM 1920 OH TYR A 124 -1.649 -12.052 14.719 1.00 0.00 O ATOM 0 H TYR A 124 -4.530 -6.688 11.919 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.843 -6.008 12.965 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.639 -7.689 10.555 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.995 -7.259 10.983 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.167 -8.016 13.349 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.597 -9.658 11.426 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.020 -10.002 14.786 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -3.457 -11.642 12.866 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.374 -12.672 14.496 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.504 -4.141 11.377 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.369 -2.952 10.543 1.00 0.00 C ATOM 1932 C TRP A 125 -0.077 -2.997 9.735 1.00 0.00 C ATOM 1933 O TRP A 125 1.018 -3.009 10.298 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.400 -1.691 11.409 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.704 -1.489 12.119 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -2.980 -1.779 13.424 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.910 -0.956 11.560 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.285 -1.457 13.712 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.876 -0.950 12.585 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.267 -0.480 10.296 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.174 -0.489 12.381 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.555 -0.023 10.095 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.496 -0.029 11.133 1.00 0.00 C ATOM 0 H TRP A 125 -0.801 -4.223 12.112 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.209 -2.929 9.848 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.598 -1.745 12.146 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.198 -0.823 10.781 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.276 -2.200 14.127 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.739 -1.576 14.617 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.548 -0.469 9.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.901 -0.494 13.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.842 0.345 9.121 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.495 0.336 10.945 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.212 -3.023 8.414 1.00 0.00 N ATOM 1955 CA ASP A 126 0.946 -3.066 7.528 1.00 0.00 C ATOM 1956 C ASP A 126 1.126 -1.735 6.805 1.00 0.00 C ATOM 1957 O ASP A 126 0.455 -1.462 5.810 1.00 0.00 O ATOM 1958 CB ASP A 126 0.794 -4.197 6.510 1.00 0.00 C ATOM 1959 CG ASP A 126 1.860 -4.153 5.433 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.058 -4.145 5.784 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.496 -4.126 4.238 1.00 0.00 O ATOM 0 H ASP A 126 -1.111 -3.015 7.933 1.00 0.00 H new ATOM 0 HA ASP A 126 1.831 -3.252 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.843 -5.156 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.190 -4.134 6.046 1.00 0.00 H new ATOM 1966 N SER A 127 2.037 -0.910 7.312 1.00 0.00 N ATOM 1967 CA SER A 127 2.302 0.395 6.717 1.00 0.00 C ATOM 1968 C SER A 127 3.802 0.630 6.571 1.00 0.00 C ATOM 1969 O SER A 127 4.503 0.871 7.553 1.00 0.00 O ATOM 1970 CB SER A 127 1.681 1.503 7.570 1.00 0.00 C ATOM 1971 OG SER A 127 2.542 1.870 8.634 1.00 0.00 O ATOM 0 H SER A 127 2.604 -1.122 8.133 1.00 0.00 H new ATOM 0 HA SER A 127 1.851 0.414 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.475 2.374 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.725 1.165 7.971 1.00 0.00 H new ATOM 0 HG SER A 127 3.240 1.191 8.739 1.00 0.00 H new ATOM 1977 N ASN A 128 4.288 0.559 5.336 1.00 0.00 N ATOM 1978 CA ASN A 128 5.706 0.763 5.059 1.00 0.00 C ATOM 1979 C ASN A 128 6.569 0.137 6.150 1.00 0.00 C ATOM 1980 O ASN A 128 7.692 0.576 6.396 1.00 0.00 O ATOM 1981 CB ASN A 128 6.014 2.257 4.944 1.00 0.00 C ATOM 1982 CG ASN A 128 5.718 2.804 3.561 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.373 2.056 2.646 1.00 0.00 O ATOM 1984 ND2 ASN A 128 5.853 4.116 3.402 1.00 0.00 N ATOM 0 H ASN A 128 3.721 0.362 4.511 1.00 0.00 H new ATOM 0 HA ASN A 128 5.940 0.276 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.427 2.804 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.064 2.428 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.668 4.541 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.141 4.698 4.188 1.00 0.00 H new ATOM 1991 N ARG A 129 6.036 -0.892 6.801 1.00 0.00 N ATOM 1992 CA ARG A 129 6.757 -1.579 7.866 1.00 0.00 C ATOM 1993 C ARG A 129 7.632 -0.603 8.647 1.00 0.00 C ATOM 1994 O ARG A 129 8.724 -0.953 9.092 1.00 0.00 O ATOM 1995 CB ARG A 129 7.618 -2.702 7.286 1.00 0.00 C ATOM 1996 CG ARG A 129 6.882 -3.580 6.287 1.00 0.00 C ATOM 1997 CD ARG A 129 7.419 -5.003 6.295 1.00 0.00 C ATOM 1998 NE ARG A 129 7.233 -5.651 7.591 1.00 0.00 N ATOM 1999 CZ ARG A 129 6.052 -6.049 8.051 1.00 0.00 C ATOM 2000 NH1 ARG A 129 4.958 -5.867 7.324 1.00 0.00 N ATOM 2001 NH2 ARG A 129 5.964 -6.631 9.240 1.00 0.00 N ATOM 0 H ARG A 129 5.107 -1.268 6.610 1.00 0.00 H new ATOM 0 HA ARG A 129 6.024 -2.009 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.490 -2.265 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 129 7.986 -3.324 8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.818 -3.590 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.982 -3.158 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 129 6.915 -5.585 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 129 8.480 -4.992 6.044 1.00 0.00 H new ATOM 0 HE ARG A 129 8.055 -5.806 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.022 -5.420 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.052 -6.174 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.804 -6.773 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.057 -6.936 9.592 1.00 0.00 H new ATOM 2015 N GLY A 130 7.144 0.623 8.808 1.00 0.00 N ATOM 2016 CA GLY A 130 7.895 1.631 9.534 1.00 0.00 C ATOM 2017 C GLY A 130 7.039 2.816 9.934 1.00 0.00 C ATOM 2018 O GLY A 130 6.389 2.798 10.980 1.00 0.00 O ATOM 0 H GLY A 130 6.242 0.936 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.329 1.183 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.724 1.977 8.916 1.00 0.00 H new ATOM 2022 N LYS A 131 7.037 3.851 9.101 1.00 0.00 N ATOM 2023 CA LYS A 131 6.255 5.051 9.372 1.00 0.00 C ATOM 2024 C LYS A 131 4.849 4.926 8.795 1.00 0.00 C ATOM 2025 O LYS A 131 3.885 4.705 9.527 1.00 0.00 O ATOM 2026 CB LYS A 131 6.951 6.281 8.785 1.00 0.00 C ATOM 2027 CG LYS A 131 8.372 6.474 9.286 1.00 0.00 C ATOM 2028 CD LYS A 131 9.387 5.872 8.329 1.00 0.00 C ATOM 2029 CE LYS A 131 9.498 6.687 7.050 1.00 0.00 C ATOM 2030 NZ LYS A 131 10.012 5.872 5.915 1.00 0.00 N ATOM 0 H LYS A 131 7.569 3.883 8.231 1.00 0.00 H new ATOM 0 HA LYS A 131 6.176 5.167 10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.966 6.195 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.366 7.169 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.574 7.538 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.478 6.013 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.361 5.821 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.098 4.849 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.520 7.093 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.161 7.536 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.073 6.464 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.956 5.506 6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.366 5.076 5.739 1.00 0.00 H new ATOM 2044 N ASN A 132 4.739 5.066 7.478 1.00 0.00 N ATOM 2045 CA ASN A 132 3.450 4.967 6.803 1.00 0.00 C ATOM 2046 C ASN A 132 3.619 5.068 5.290 1.00 0.00 C ATOM 2047 O ASN A 132 4.578 5.665 4.800 1.00 0.00 O ATOM 2048 CB ASN A 132 2.508 6.067 7.297 1.00 0.00 C ATOM 2049 CG ASN A 132 3.226 7.381 7.533 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.176 7.718 6.826 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.774 8.132 8.531 1.00 0.00 N ATOM 0 H ASN A 132 5.527 5.248 6.857 1.00 0.00 H new ATOM 0 HA ASN A 132 3.018 3.994 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.714 6.217 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.032 5.745 8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.217 9.027 8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.984 7.813 9.091 1.00 0.00 H new ATOM 2058 N TYR A 133 2.681 4.480 4.556 1.00 0.00 N ATOM 2059 CA TYR A 133 2.726 4.502 3.099 1.00 0.00 C ATOM 2060 C TYR A 133 2.553 5.922 2.569 1.00 0.00 C ATOM 2061 O TYR A 133 1.433 6.382 2.348 1.00 0.00 O ATOM 2062 CB TYR A 133 1.640 3.594 2.520 1.00 0.00 C ATOM 2063 CG TYR A 133 2.062 2.147 2.396 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.016 1.760 1.463 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.506 1.168 3.210 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.405 0.439 1.346 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.890 -0.154 3.101 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.839 -0.514 2.167 1.00 0.00 C ATOM 2069 OH TYR A 133 3.223 -1.831 2.054 1.00 0.00 O ATOM 0 H TYR A 133 1.881 3.982 4.946 1.00 0.00 H new ATOM 0 HA TYR A 133 3.703 4.134 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.754 3.652 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.354 3.966 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.461 2.504 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.761 1.446 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.148 0.154 0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.450 -0.902 3.744 1.00 0.00 H new ATOM 0 HH TYR A 133 2.730 -2.372 2.705 1.00 0.00 H new ATOM 2079 N ARG A 134 3.671 6.611 2.367 1.00 0.00 N ATOM 2080 CA ARG A 134 3.645 7.980 1.864 1.00 0.00 C ATOM 2081 C ARG A 134 3.517 7.997 0.343 1.00 0.00 C ATOM 2082 O ARG A 134 4.380 7.481 -0.368 1.00 0.00 O ATOM 2083 CB ARG A 134 4.911 8.726 2.288 1.00 0.00 C ATOM 2084 CG ARG A 134 4.926 10.187 1.868 1.00 0.00 C ATOM 2085 CD ARG A 134 6.346 10.721 1.764 1.00 0.00 C ATOM 2086 NE ARG A 134 6.923 11.003 3.076 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.006 11.750 3.257 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.626 12.289 2.216 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.470 11.961 4.482 1.00 0.00 N ATOM 0 H ARG A 134 4.606 6.244 2.544 1.00 0.00 H new ATOM 0 HA ARG A 134 2.776 8.481 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.012 8.667 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.779 8.225 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.424 10.296 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.365 10.780 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 134 6.969 9.994 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 134 6.348 11.631 1.164 1.00 0.00 H new ATOM 0 HE ARG A 134 6.469 10.604 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 134 8.271 12.130 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.458 12.862 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.995 11.549 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 134 9.302 12.535 4.620 1.00 0.00 H new ATOM 2103 N ILE A 135 2.436 8.593 -0.147 1.00 0.00 N ATOM 2104 CA ILE A 135 2.196 8.678 -1.582 1.00 0.00 C ATOM 2105 C ILE A 135 2.451 10.090 -2.100 1.00 0.00 C ATOM 2106 O ILE A 135 1.679 11.010 -1.830 1.00 0.00 O ATOM 2107 CB ILE A 135 0.754 8.267 -1.937 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.481 6.835 -1.474 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.520 8.399 -3.435 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.980 6.446 -1.541 1.00 0.00 C ATOM 0 H ILE A 135 1.712 9.024 0.428 1.00 0.00 H new ATOM 0 HA ILE A 135 2.891 7.987 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 135 0.063 8.934 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.061 6.146 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.833 6.720 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.503 8.105 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.679 9.434 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.216 7.753 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.099 5.418 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.563 7.111 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.332 6.528 -2.569 1.00 0.00 H new ATOM 2122 N ILE A 136 3.539 10.252 -2.846 1.00 0.00 N ATOM 2123 CA ILE A 136 3.895 11.551 -3.404 1.00 0.00 C ATOM 2124 C ILE A 136 3.480 11.653 -4.868 1.00 0.00 C ATOM 2125 O ILE A 136 3.118 10.655 -5.491 1.00 0.00 O ATOM 2126 CB ILE A 136 5.408 11.817 -3.291 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.196 10.715 -4.003 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.821 11.912 -1.830 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.638 11.082 -4.272 1.00 0.00 C ATOM 0 H ILE A 136 4.189 9.501 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 136 3.358 12.301 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 136 5.632 12.768 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.167 9.809 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.706 10.482 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.893 12.100 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.280 12.728 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.586 10.976 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.136 10.255 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.676 11.970 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.144 11.286 -3.328 1.00 0.00 H new ATOM 2141 N ARG A 137 3.537 12.864 -5.410 1.00 0.00 N ATOM 2142 CA ARG A 137 3.168 13.097 -6.801 1.00 0.00 C ATOM 2143 C ARG A 137 4.268 12.616 -7.743 1.00 0.00 C ATOM 2144 O ARG A 137 5.398 12.374 -7.321 1.00 0.00 O ATOM 2145 CB ARG A 137 2.894 14.583 -7.037 1.00 0.00 C ATOM 2146 CG ARG A 137 1.904 14.849 -8.159 1.00 0.00 C ATOM 2147 CD ARG A 137 1.165 16.162 -7.950 1.00 0.00 C ATOM 2148 NE ARG A 137 0.256 16.460 -9.054 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.731 17.346 -8.974 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.934 18.017 -7.849 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.517 17.561 -10.022 1.00 0.00 N ATOM 0 H ARG A 137 3.835 13.700 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 137 2.261 12.530 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.513 15.024 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.834 15.085 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.431 14.875 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.186 14.031 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.601 16.116 -7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.887 16.972 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 137 0.386 15.961 -9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.332 17.854 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.692 18.697 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -1.363 17.046 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.275 18.241 -9.960 1.00 0.00 H new ATOM 2165 N ALA A 138 3.928 12.479 -9.021 1.00 0.00 N ATOM 2166 CA ALA A 138 4.886 12.029 -10.023 1.00 0.00 C ATOM 2167 C ALA A 138 5.928 13.106 -10.309 1.00 0.00 C ATOM 2168 O ALA A 138 7.088 12.802 -10.585 1.00 0.00 O ATOM 2169 CB ALA A 138 4.166 11.635 -11.303 1.00 0.00 C ATOM 0 H ALA A 138 2.996 12.673 -9.386 1.00 0.00 H new ATOM 0 HA ALA A 138 5.404 11.155 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.894 11.301 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.466 10.827 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.621 12.495 -11.693 1.00 0.00 H new ATOM 2175 N GLU A 139 5.504 14.364 -10.243 1.00 0.00 N ATOM 2176 CA GLU A 139 6.401 15.486 -10.497 1.00 0.00 C ATOM 2177 C GLU A 139 7.574 15.477 -9.521 1.00 0.00 C ATOM 2178 O GLU A 139 8.680 15.903 -9.857 1.00 0.00 O ATOM 2179 CB GLU A 139 5.642 16.810 -10.388 1.00 0.00 C ATOM 2180 CG GLU A 139 4.707 16.878 -9.192 1.00 0.00 C ATOM 2181 CD GLU A 139 4.410 18.302 -8.765 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.988 19.234 -9.362 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.599 18.484 -7.832 1.00 0.00 O ATOM 0 H GLU A 139 4.546 14.632 -10.016 1.00 0.00 H new ATOM 0 HA GLU A 139 6.792 15.383 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.361 17.627 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.064 16.964 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.772 16.374 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.152 16.337 -8.357 1.00 0.00 H new