USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 995 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-5.6!) USER MOD Set 2.1: A 71 SER OG : rot -112:sc= 0.587 USER MOD Set 2.2: A 75 ASN : amide:sc= 0 X(o=0.59,f=0.51) USER MOD Set 3.1: A 56 THR OG1 : rot -140:sc= -1.14 USER MOD Set 3.2: A 58 GLN : amide:sc= -2.05! K(o=-3.2!,f=-3.9) USER MOD Set 4.1: A 13 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.5!) USER MOD Set 4.2: A 113 LYS NZ :NH3+ -144:sc= -0.0139 (180deg=-1.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -151:sc= -2.83! USER MOD Single : A 12 SER OG : rot -155:sc= 0.472 USER MOD Single : A 16 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-8.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -5.81! C(o=-6.3!,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.1!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 90:sc= 1.11 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -148:sc= -0.48 (180deg=-2.44!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.482 K(o=-0.48,f=-3.2!) USER MOD Single : A 73 THR OG1 : rot 51:sc= 0.00441 USER MOD Single : A 78 CYS SG : rot 29:sc= -4.05! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.337 F(o=-1.5!,f=-0.34) USER MOD Single : A 88 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=-0.3) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 90 ASN : amide:sc= -0.92 K(o=-0.92,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.18) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 30:sc= 0.167 USER MOD Single : A 118 THR OG1 : rot 33:sc= -1.14! USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 8.553 -7.812 1.614 1.00 0.00 N ATOM 98 CA PRO A 6 8.720 -6.730 0.658 1.00 0.00 C ATOM 99 C PRO A 6 8.110 -7.096 -0.696 1.00 0.00 C ATOM 100 O PRO A 6 8.322 -8.198 -1.200 1.00 0.00 O ATOM 101 CB PRO A 6 10.220 -6.495 0.590 1.00 0.00 C ATOM 102 CG PRO A 6 10.866 -7.752 1.150 1.00 0.00 C ATOM 103 CD PRO A 6 9.786 -8.555 1.857 1.00 0.00 C ATOM 0 HA PRO A 6 8.200 -5.820 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.541 -6.315 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.504 -5.618 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.316 -8.339 0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.666 -7.494 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.722 -9.568 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.992 -8.643 2.924 1.00 0.00 H new ATOM 111 N LYS A 7 7.364 -6.150 -1.248 1.00 0.00 N ATOM 112 CA LYS A 7 6.721 -6.358 -2.534 1.00 0.00 C ATOM 113 C LYS A 7 6.710 -5.042 -3.313 1.00 0.00 C ATOM 114 O LYS A 7 6.997 -3.984 -2.755 1.00 0.00 O ATOM 115 CB LYS A 7 5.333 -6.974 -2.346 1.00 0.00 C ATOM 116 CG LYS A 7 5.436 -8.445 -1.939 1.00 0.00 C ATOM 117 CD LYS A 7 5.128 -8.625 -0.451 1.00 0.00 C ATOM 118 CE LYS A 7 3.848 -9.439 -0.251 1.00 0.00 C ATOM 119 NZ LYS A 7 4.093 -10.572 0.669 1.00 0.00 N ATOM 0 H LYS A 7 7.191 -5.237 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 7 7.284 -7.076 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.786 -6.420 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.765 -6.888 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.741 -9.040 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.438 -8.816 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.963 -9.127 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.020 -7.649 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.062 -8.799 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.494 -9.813 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.214 -11.114 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.828 -11.191 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.409 -10.209 1.591 1.00 0.00 H new ATOM 133 N LEU A 8 6.375 -5.150 -4.591 1.00 0.00 N ATOM 134 CA LEU A 8 6.322 -3.981 -5.452 1.00 0.00 C ATOM 135 C LEU A 8 4.861 -3.628 -5.737 1.00 0.00 C ATOM 136 O LEU A 8 4.007 -4.510 -5.800 1.00 0.00 O ATOM 137 CB LEU A 8 7.158 -4.207 -6.714 1.00 0.00 C ATOM 138 CG LEU A 8 8.569 -4.755 -6.494 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.217 -4.124 -5.261 1.00 0.00 C ATOM 140 CD2 LEU A 8 8.558 -6.283 -6.417 1.00 0.00 C ATOM 0 H LEU A 8 6.138 -6.029 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 8 6.766 -3.120 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.619 -4.896 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.237 -3.260 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 8 9.179 -4.480 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.219 -4.531 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.279 -3.044 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.615 -4.346 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.573 -6.647 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.927 -6.601 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.166 -6.691 -7.348 1.00 0.00 H new ATOM 152 N LEU A 9 4.619 -2.336 -5.901 1.00 0.00 N ATOM 153 CA LEU A 9 3.276 -1.855 -6.178 1.00 0.00 C ATOM 154 C LEU A 9 3.078 -1.752 -7.692 1.00 0.00 C ATOM 155 O LEU A 9 3.584 -0.828 -8.326 1.00 0.00 O ATOM 156 CB LEU A 9 3.011 -0.546 -5.432 1.00 0.00 C ATOM 157 CG LEU A 9 3.123 -0.608 -3.908 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.757 0.737 -3.276 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.283 -1.755 -3.342 1.00 0.00 C ATOM 0 H LEU A 9 5.330 -1.607 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 9 2.534 -2.562 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.711 0.205 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.010 -0.201 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 9 4.162 -0.813 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.845 0.666 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.433 1.508 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.732 0.996 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.381 -1.776 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.237 -1.606 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.632 -2.701 -3.756 1.00 0.00 H new ATOM 171 N TYR A 10 2.340 -2.714 -8.227 1.00 0.00 N ATOM 172 CA TYR A 10 2.069 -2.743 -9.654 1.00 0.00 C ATOM 173 C TYR A 10 0.845 -1.890 -9.997 1.00 0.00 C ATOM 174 O TYR A 10 -0.283 -2.259 -9.674 1.00 0.00 O ATOM 175 CB TYR A 10 1.769 -4.203 -9.997 1.00 0.00 C ATOM 176 CG TYR A 10 1.346 -4.427 -11.450 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.251 -4.226 -12.471 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.058 -4.830 -11.738 1.00 0.00 C ATOM 179 CE1 TYR A 10 1.852 -4.437 -13.839 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.341 -5.041 -13.106 1.00 0.00 C ATOM 181 CZ TYR A 10 0.576 -4.834 -14.089 1.00 0.00 C ATOM 182 OH TYR A 10 0.199 -5.033 -15.380 1.00 0.00 O ATOM 0 H TYR A 10 1.922 -3.479 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 10 2.917 -2.348 -10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.655 -4.803 -9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.979 -4.565 -9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.259 -3.910 -12.245 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.651 -4.987 -10.938 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.551 -4.283 -14.648 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.346 -5.356 -13.346 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.739 -5.315 -15.407 1.00 0.00 H new ATOM 192 N CYS A 11 1.111 -0.766 -10.646 1.00 0.00 N ATOM 193 CA CYS A 11 0.046 0.142 -11.036 1.00 0.00 C ATOM 194 C CYS A 11 -0.480 -0.294 -12.405 1.00 0.00 C ATOM 195 O CYS A 11 -0.118 0.287 -13.427 1.00 0.00 O ATOM 196 CB CYS A 11 0.517 1.598 -11.043 1.00 0.00 C ATOM 197 SG CYS A 11 -0.829 2.689 -11.628 1.00 0.00 S ATOM 0 H CYS A 11 2.048 -0.464 -10.911 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.761 0.094 -10.305 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.826 1.894 -10.040 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.388 1.704 -11.689 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.319 3.733 -12.211 1.00 0.00 H new ATOM 203 N SER A 12 -1.326 -1.313 -12.381 1.00 0.00 N ATOM 204 CA SER A 12 -1.905 -1.834 -13.607 1.00 0.00 C ATOM 205 C SER A 12 -2.185 -0.688 -14.582 1.00 0.00 C ATOM 206 O SER A 12 -2.066 -0.856 -15.794 1.00 0.00 O ATOM 207 CB SER A 12 -3.191 -2.613 -13.322 1.00 0.00 C ATOM 208 OG SER A 12 -3.996 -1.973 -12.336 1.00 0.00 O ATOM 0 H SER A 12 -1.624 -1.792 -11.531 1.00 0.00 H new ATOM 0 HA SER A 12 -1.188 -2.520 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.763 -2.718 -14.244 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.939 -3.619 -12.987 1.00 0.00 H new ATOM 0 HG SER A 12 -4.566 -2.638 -11.896 1.00 0.00 H new ATOM 214 N ASN A 13 -2.551 0.452 -14.015 1.00 0.00 N ATOM 215 CA ASN A 13 -2.848 1.626 -14.818 1.00 0.00 C ATOM 216 C ASN A 13 -1.803 1.758 -15.927 1.00 0.00 C ATOM 217 O ASN A 13 -2.150 1.866 -17.103 1.00 0.00 O ATOM 218 CB ASN A 13 -2.803 2.899 -13.971 1.00 0.00 C ATOM 219 CG ASN A 13 -3.762 3.957 -14.520 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.757 3.658 -15.160 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.410 5.207 -14.233 1.00 0.00 N ATOM 0 H ASN A 13 -2.649 0.588 -13.009 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.848 1.505 -15.234 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.067 2.664 -12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.788 3.295 -13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.986 5.985 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.564 5.387 -13.693 1.00 0.00 H new ATOM 228 N GLY A 14 -0.544 1.744 -15.515 1.00 0.00 N ATOM 229 CA GLY A 14 0.555 1.860 -16.459 1.00 0.00 C ATOM 230 C GLY A 14 1.475 0.641 -16.382 1.00 0.00 C ATOM 231 O GLY A 14 2.006 0.194 -17.398 1.00 0.00 O ATOM 0 H GLY A 14 -0.260 1.654 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.161 1.959 -17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.126 2.765 -16.249 1.00 0.00 H new ATOM 235 N GLY A 15 1.637 0.137 -15.167 1.00 0.00 N ATOM 236 CA GLY A 15 2.484 -1.023 -14.945 1.00 0.00 C ATOM 237 C GLY A 15 3.892 -0.599 -14.522 1.00 0.00 C ATOM 238 O GLY A 15 4.817 -0.607 -15.333 1.00 0.00 O ATOM 0 H GLY A 15 1.196 0.511 -14.326 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.044 -1.657 -14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.538 -1.619 -15.856 1.00 0.00 H new ATOM 242 N HIS A 16 4.011 -0.240 -13.252 1.00 0.00 N ATOM 243 CA HIS A 16 5.291 0.186 -12.712 1.00 0.00 C ATOM 244 C HIS A 16 5.310 -0.038 -11.199 1.00 0.00 C ATOM 245 O HIS A 16 4.275 -0.319 -10.597 1.00 0.00 O ATOM 246 CB HIS A 16 5.590 1.636 -13.100 1.00 0.00 C ATOM 247 CG HIS A 16 5.632 1.877 -14.590 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.496 1.884 -15.380 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.683 2.120 -15.424 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.859 2.120 -16.633 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.215 2.266 -16.658 1.00 0.00 N ATOM 0 H HIS A 16 3.242 -0.235 -12.582 1.00 0.00 H new ATOM 0 HA HIS A 16 6.090 -0.417 -13.144 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.832 2.283 -12.659 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.548 1.927 -12.668 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.720 2.183 -15.131 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.197 2.185 -17.484 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.777 2.456 -17.488 1.00 0.00 H new ATOM 259 N PHE A 17 6.498 0.093 -10.628 1.00 0.00 N ATOM 260 CA PHE A 17 6.665 -0.092 -9.196 1.00 0.00 C ATOM 261 C PHE A 17 7.002 1.233 -8.508 1.00 0.00 C ATOM 262 O PHE A 17 7.717 2.063 -9.067 1.00 0.00 O ATOM 263 CB PHE A 17 7.831 -1.064 -9.004 1.00 0.00 C ATOM 264 CG PHE A 17 7.535 -2.491 -9.470 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.272 -2.987 -9.379 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.534 -3.262 -9.975 1.00 0.00 C ATOM 267 CE1 PHE A 17 5.997 -4.312 -9.812 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.259 -4.586 -10.408 1.00 0.00 C ATOM 269 CZ PHE A 17 6.997 -5.083 -10.317 1.00 0.00 C ATOM 0 H PHE A 17 7.355 0.325 -11.131 1.00 0.00 H new ATOM 0 HA PHE A 17 5.742 -0.473 -8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.698 -0.688 -9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.102 -1.086 -7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.478 -2.374 -8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.537 -2.868 -10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.994 -4.707 -9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.053 -5.198 -10.810 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.788 -6.090 -10.646 1.00 0.00 H new ATOM 279 N LEU A 18 6.471 1.389 -7.304 1.00 0.00 N ATOM 280 CA LEU A 18 6.706 2.598 -6.533 1.00 0.00 C ATOM 281 C LEU A 18 8.112 2.548 -5.930 1.00 0.00 C ATOM 282 O LEU A 18 8.407 1.684 -5.106 1.00 0.00 O ATOM 283 CB LEU A 18 5.599 2.796 -5.496 1.00 0.00 C ATOM 284 CG LEU A 18 5.509 4.189 -4.869 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.774 5.160 -5.794 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.870 4.125 -3.481 1.00 0.00 C ATOM 0 H LEU A 18 5.879 0.698 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 18 6.666 3.475 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.643 2.569 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.742 2.068 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 18 6.521 4.572 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.724 6.142 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.309 5.237 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.764 4.794 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.818 5.128 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.864 3.713 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.472 3.488 -2.832 1.00 0.00 H new ATOM 298 N ARG A 19 8.941 3.485 -6.365 1.00 0.00 N ATOM 299 CA ARG A 19 10.308 3.559 -5.879 1.00 0.00 C ATOM 300 C ARG A 19 10.486 4.782 -4.977 1.00 0.00 C ATOM 301 O ARG A 19 9.889 5.829 -5.222 1.00 0.00 O ATOM 302 CB ARG A 19 11.302 3.641 -7.039 1.00 0.00 C ATOM 303 CG ARG A 19 12.716 3.928 -6.531 1.00 0.00 C ATOM 304 CD ARG A 19 13.761 3.590 -7.596 1.00 0.00 C ATOM 305 NE ARG A 19 13.770 4.634 -8.646 1.00 0.00 N ATOM 306 CZ ARG A 19 14.786 4.837 -9.495 1.00 0.00 C ATOM 307 NH1 ARG A 19 15.882 4.069 -9.425 1.00 0.00 N ATOM 308 NH2 ARG A 19 14.706 5.807 -10.415 1.00 0.00 N ATOM 0 H ARG A 19 8.692 4.200 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 19 10.506 2.651 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.295 2.704 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.994 4.425 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.800 4.979 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.908 3.345 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.747 3.514 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.540 2.619 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 19 12.951 5.236 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.943 3.330 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.655 4.224 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.872 6.391 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.480 5.962 -11.062 1.00 0.00 H new ATOM 322 N ILE A 20 11.309 4.608 -3.953 1.00 0.00 N ATOM 323 CA ILE A 20 11.572 5.685 -3.014 1.00 0.00 C ATOM 324 C ILE A 20 13.080 5.928 -2.934 1.00 0.00 C ATOM 325 O ILE A 20 13.806 5.153 -2.312 1.00 0.00 O ATOM 326 CB ILE A 20 10.924 5.386 -1.661 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.487 4.893 -1.838 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.004 6.601 -0.734 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.804 4.694 -0.483 1.00 0.00 C ATOM 0 H ILE A 20 11.802 3.738 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 20 11.117 6.613 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 20 11.484 4.581 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.923 5.612 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.487 3.954 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.536 6.362 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.049 6.865 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.484 7.443 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.784 4.343 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.357 3.956 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.784 5.641 0.057 1.00 0.00 H new ATOM 341 N LEU A 21 13.508 7.008 -3.571 1.00 0.00 N ATOM 342 CA LEU A 21 14.917 7.363 -3.579 1.00 0.00 C ATOM 343 C LEU A 21 15.290 7.986 -2.232 1.00 0.00 C ATOM 344 O LEU A 21 14.427 8.501 -1.522 1.00 0.00 O ATOM 345 CB LEU A 21 15.237 8.257 -4.779 1.00 0.00 C ATOM 346 CG LEU A 21 14.690 7.789 -6.129 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.843 8.880 -7.191 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.344 6.475 -6.560 1.00 0.00 C ATOM 0 H LEU A 21 12.904 7.649 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 21 15.533 6.472 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.847 9.255 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.320 8.348 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 21 13.623 7.596 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.446 8.521 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.294 9.769 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.898 9.128 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.937 6.165 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.421 6.617 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.140 5.706 -5.815 1.00 0.00 H new ATOM 360 N PRO A 22 16.610 7.916 -1.912 1.00 0.00 N ATOM 361 CA PRO A 22 17.107 8.466 -0.663 1.00 0.00 C ATOM 362 C PRO A 22 17.167 9.994 -0.722 1.00 0.00 C ATOM 363 O PRO A 22 17.532 10.643 0.257 1.00 0.00 O ATOM 364 CB PRO A 22 18.472 7.825 -0.467 1.00 0.00 C ATOM 365 CG PRO A 22 18.887 7.303 -1.832 1.00 0.00 C ATOM 366 CD PRO A 22 17.660 7.313 -2.729 1.00 0.00 C ATOM 0 HA PRO A 22 16.454 8.248 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.193 8.550 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.423 7.016 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.674 7.926 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.290 6.294 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.837 7.891 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.389 6.304 -3.041 1.00 0.00 H new ATOM 374 N ASP A 23 16.802 10.524 -1.880 1.00 0.00 N ATOM 375 CA ASP A 23 16.810 11.963 -2.080 1.00 0.00 C ATOM 376 C ASP A 23 15.411 12.519 -1.804 1.00 0.00 C ATOM 377 O ASP A 23 15.148 13.695 -2.049 1.00 0.00 O ATOM 378 CB ASP A 23 17.184 12.318 -3.520 1.00 0.00 C ATOM 379 CG ASP A 23 18.576 12.928 -3.695 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.554 12.166 -3.536 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.630 14.143 -3.984 1.00 0.00 O ATOM 0 H ASP A 23 16.499 9.983 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 23 17.546 12.394 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.120 11.416 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.445 13.019 -3.909 1.00 0.00 H new ATOM 386 N GLY A 24 14.552 11.647 -1.298 1.00 0.00 N ATOM 387 CA GLY A 24 13.187 12.036 -0.986 1.00 0.00 C ATOM 388 C GLY A 24 12.345 12.150 -2.259 1.00 0.00 C ATOM 389 O GLY A 24 11.500 13.037 -2.371 1.00 0.00 O ATOM 0 H GLY A 24 14.774 10.672 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.740 11.303 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.188 12.991 -0.460 1.00 0.00 H new ATOM 393 N THR A 25 12.605 11.239 -3.185 1.00 0.00 N ATOM 394 CA THR A 25 11.882 11.226 -4.446 1.00 0.00 C ATOM 395 C THR A 25 11.081 9.930 -4.587 1.00 0.00 C ATOM 396 O THR A 25 11.510 8.877 -4.120 1.00 0.00 O ATOM 397 CB THR A 25 12.893 11.442 -5.573 1.00 0.00 C ATOM 398 OG1 THR A 25 13.178 12.837 -5.522 1.00 0.00 O ATOM 399 CG2 THR A 25 12.277 11.238 -6.959 1.00 0.00 C ATOM 0 H THR A 25 13.306 10.505 -3.088 1.00 0.00 H new ATOM 0 HA THR A 25 11.148 12.031 -4.490 1.00 0.00 H new ATOM 0 HB THR A 25 13.732 10.758 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.828 13.064 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.037 11.403 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.895 10.220 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.460 11.945 -7.101 1.00 0.00 H new ATOM 407 N VAL A 26 9.931 10.051 -5.234 1.00 0.00 N ATOM 408 CA VAL A 26 9.066 8.902 -5.443 1.00 0.00 C ATOM 409 C VAL A 26 8.569 8.900 -6.890 1.00 0.00 C ATOM 410 O VAL A 26 7.840 9.802 -7.301 1.00 0.00 O ATOM 411 CB VAL A 26 7.928 8.911 -4.420 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.301 7.522 -4.287 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.414 9.426 -3.064 1.00 0.00 C ATOM 0 H VAL A 26 9.578 10.927 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 26 9.618 7.975 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 26 7.158 9.593 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.495 7.555 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.902 7.209 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.059 6.810 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.586 9.422 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.211 8.781 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.792 10.442 -3.175 1.00 0.00 H new ATOM 423 N ASP A 27 8.983 7.877 -7.623 1.00 0.00 N ATOM 424 CA ASP A 27 8.589 7.746 -9.016 1.00 0.00 C ATOM 425 C ASP A 27 8.488 6.262 -9.375 1.00 0.00 C ATOM 426 O ASP A 27 9.047 5.413 -8.683 1.00 0.00 O ATOM 427 CB ASP A 27 9.623 8.388 -9.943 1.00 0.00 C ATOM 428 CG ASP A 27 10.360 9.593 -9.355 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.667 10.587 -9.049 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.599 9.492 -9.225 1.00 0.00 O ATOM 0 H ASP A 27 9.587 7.131 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 27 7.630 8.247 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.358 7.632 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.123 8.699 -10.860 1.00 0.00 H new ATOM 435 N GLY A 28 7.772 5.996 -10.457 1.00 0.00 N ATOM 436 CA GLY A 28 7.591 4.629 -10.917 1.00 0.00 C ATOM 437 C GLY A 28 8.835 4.129 -11.653 1.00 0.00 C ATOM 438 O GLY A 28 9.565 4.917 -12.252 1.00 0.00 O ATOM 0 H GLY A 28 7.310 6.703 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.382 3.980 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.727 4.576 -11.579 1.00 0.00 H new ATOM 442 N THR A 29 9.039 2.821 -11.583 1.00 0.00 N ATOM 443 CA THR A 29 10.182 2.206 -12.236 1.00 0.00 C ATOM 444 C THR A 29 9.910 0.725 -12.504 1.00 0.00 C ATOM 445 O THR A 29 9.746 -0.059 -11.570 1.00 0.00 O ATOM 446 CB THR A 29 11.413 2.450 -11.360 1.00 0.00 C ATOM 447 OG1 THR A 29 12.512 2.129 -12.209 1.00 0.00 O ATOM 448 CG2 THR A 29 11.523 1.444 -10.212 1.00 0.00 C ATOM 0 H THR A 29 8.432 2.171 -11.084 1.00 0.00 H new ATOM 0 HA THR A 29 10.367 2.651 -13.214 1.00 0.00 H new ATOM 0 HB THR A 29 11.376 3.461 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.352 2.261 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.413 1.662 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.640 1.518 -9.578 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.595 0.435 -10.618 1.00 0.00 H new ATOM 456 N ARG A 30 9.872 0.385 -13.784 1.00 0.00 N ATOM 457 CA ARG A 30 9.623 -0.989 -14.186 1.00 0.00 C ATOM 458 C ARG A 30 10.945 -1.735 -14.372 1.00 0.00 C ATOM 459 O ARG A 30 11.161 -2.378 -15.398 1.00 0.00 O ATOM 460 CB ARG A 30 8.826 -1.044 -15.492 1.00 0.00 C ATOM 461 CG ARG A 30 7.943 -2.292 -15.542 1.00 0.00 C ATOM 462 CD ARG A 30 7.458 -2.563 -16.968 1.00 0.00 C ATOM 463 NE ARG A 30 6.896 -3.929 -17.060 1.00 0.00 N ATOM 464 CZ ARG A 30 7.636 -5.042 -17.146 1.00 0.00 C ATOM 465 NH1 ARG A 30 8.974 -4.958 -17.151 1.00 0.00 N ATOM 466 NH2 ARG A 30 7.040 -6.240 -17.226 1.00 0.00 N ATOM 0 H ARG A 30 10.009 1.037 -14.556 1.00 0.00 H new ATOM 0 HA ARG A 30 9.041 -1.466 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.206 -0.152 -15.582 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.510 -1.044 -16.340 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.502 -3.152 -15.174 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.086 -2.162 -14.881 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.702 -1.830 -17.249 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.285 -2.453 -17.669 1.00 0.00 H new ATOM 0 HE ARG A 30 5.881 -4.029 -17.058 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.428 -4.047 -17.089 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.538 -5.805 -17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.022 -6.305 -17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.604 -7.087 -17.291 1.00 0.00 H new ATOM 480 N ASP A 31 11.796 -1.626 -13.362 1.00 0.00 N ATOM 481 CA ASP A 31 13.091 -2.284 -13.401 1.00 0.00 C ATOM 482 C ASP A 31 13.325 -3.018 -12.079 1.00 0.00 C ATOM 483 O ASP A 31 13.828 -2.434 -11.121 1.00 0.00 O ATOM 484 CB ASP A 31 14.220 -1.266 -13.583 1.00 0.00 C ATOM 485 CG ASP A 31 15.381 -1.739 -14.459 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.094 -2.177 -15.594 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.530 -1.651 -13.975 1.00 0.00 O ATOM 0 H ASP A 31 11.614 -1.092 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 31 13.092 -2.978 -14.241 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.803 -0.357 -14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.611 -0.999 -12.601 1.00 0.00 H new ATOM 492 N ARG A 32 12.950 -4.289 -12.071 1.00 0.00 N ATOM 493 CA ARG A 32 13.113 -5.109 -10.883 1.00 0.00 C ATOM 494 C ARG A 32 14.561 -5.050 -10.391 1.00 0.00 C ATOM 495 O ARG A 32 14.833 -5.309 -9.220 1.00 0.00 O ATOM 496 CB ARG A 32 12.736 -6.565 -11.163 1.00 0.00 C ATOM 497 CG ARG A 32 11.253 -6.689 -11.518 1.00 0.00 C ATOM 498 CD ARG A 32 10.497 -7.480 -10.449 1.00 0.00 C ATOM 499 NE ARG A 32 9.543 -8.413 -11.089 1.00 0.00 N ATOM 500 CZ ARG A 32 9.904 -9.427 -11.886 1.00 0.00 C ATOM 501 NH1 ARG A 32 11.200 -9.645 -12.147 1.00 0.00 N ATOM 502 NH2 ARG A 32 8.969 -10.223 -12.424 1.00 0.00 N ATOM 0 H ARG A 32 12.534 -4.771 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 32 12.448 -4.714 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.343 -6.950 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.956 -7.176 -10.288 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.815 -5.696 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.147 -7.183 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.201 -8.035 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.963 -6.797 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 32 8.548 -8.275 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.911 -9.039 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.475 -10.417 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.982 -10.056 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.244 -10.995 -13.031 1.00 0.00 H new ATOM 516 N SER A 33 15.451 -4.707 -11.310 1.00 0.00 N ATOM 517 CA SER A 33 16.863 -4.610 -10.985 1.00 0.00 C ATOM 518 C SER A 33 17.067 -3.635 -9.824 1.00 0.00 C ATOM 519 O SER A 33 17.995 -3.792 -9.032 1.00 0.00 O ATOM 520 CB SER A 33 17.679 -4.166 -12.200 1.00 0.00 C ATOM 521 OG SER A 33 18.774 -5.041 -12.457 1.00 0.00 O ATOM 0 H SER A 33 15.221 -4.493 -12.280 1.00 0.00 H new ATOM 0 HA SER A 33 17.214 -5.598 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.032 -4.128 -13.077 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.053 -3.156 -12.036 1.00 0.00 H new ATOM 0 HG SER A 33 19.269 -4.724 -13.241 1.00 0.00 H new ATOM 527 N ASP A 34 16.185 -2.648 -9.759 1.00 0.00 N ATOM 528 CA ASP A 34 16.257 -1.648 -8.708 1.00 0.00 C ATOM 529 C ASP A 34 15.982 -2.312 -7.358 1.00 0.00 C ATOM 530 O ASP A 34 14.984 -3.012 -7.197 1.00 0.00 O ATOM 531 CB ASP A 34 15.208 -0.553 -8.918 1.00 0.00 C ATOM 532 CG ASP A 34 15.762 0.873 -8.962 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.771 1.112 -8.264 1.00 0.00 O ATOM 534 OD2 ASP A 34 15.164 1.692 -9.693 1.00 0.00 O ATOM 0 H ASP A 34 15.417 -2.520 -10.418 1.00 0.00 H new ATOM 0 HA ASP A 34 17.252 -1.205 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.680 -0.751 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.473 -0.617 -8.116 1.00 0.00 H new ATOM 539 N GLN A 35 16.887 -2.070 -6.420 1.00 0.00 N ATOM 540 CA GLN A 35 16.755 -2.636 -5.089 1.00 0.00 C ATOM 541 C GLN A 35 16.145 -1.609 -4.133 1.00 0.00 C ATOM 542 O GLN A 35 16.111 -1.825 -2.923 1.00 0.00 O ATOM 543 CB GLN A 35 18.105 -3.134 -4.569 1.00 0.00 C ATOM 544 CG GLN A 35 18.699 -4.188 -5.505 1.00 0.00 C ATOM 545 CD GLN A 35 18.488 -5.597 -4.949 1.00 0.00 C ATOM 546 OE1 GLN A 35 17.452 -6.216 -5.131 1.00 0.00 O ATOM 547 NE2 GLN A 35 19.524 -6.069 -4.262 1.00 0.00 N ATOM 0 H GLN A 35 17.714 -1.489 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 35 16.085 -3.494 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.795 -2.295 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.981 -3.557 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.236 -4.108 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.765 -4.002 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.362 -5.499 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.481 -7.001 -3.850 1.00 0.00 H new ATOM 556 N HIS A 36 15.677 -0.513 -4.713 1.00 0.00 N ATOM 557 CA HIS A 36 15.070 0.548 -3.928 1.00 0.00 C ATOM 558 C HIS A 36 13.548 0.386 -3.937 1.00 0.00 C ATOM 559 O HIS A 36 12.875 0.765 -2.980 1.00 0.00 O ATOM 560 CB HIS A 36 15.522 1.921 -4.429 1.00 0.00 C ATOM 561 CG HIS A 36 16.991 2.200 -4.213 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.622 3.278 -3.665 1.00 0.00 N flip ATOM 563 CD2 HIS A 36 17.985 1.310 -4.580 1.00 0.00 C flip ATOM 564 CE1 HIS A 36 18.930 3.058 -3.694 1.00 0.00 C flip ATOM 565 NE2 HIS A 36 19.157 1.839 -4.262 1.00 0.00 N flip ATOM 0 H HIS A 36 15.706 -0.337 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 36 15.403 0.475 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.300 1.999 -5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.938 2.691 -3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.831 0.348 -5.046 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.690 3.733 -3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 36 20.070 1.410 -4.415 1.00 0.00 H new ATOM 573 N ILE A 37 13.051 -0.178 -5.028 1.00 0.00 N ATOM 574 CA ILE A 37 11.622 -0.395 -5.174 1.00 0.00 C ATOM 575 C ILE A 37 11.153 -1.398 -4.118 1.00 0.00 C ATOM 576 O ILE A 37 9.970 -1.444 -3.783 1.00 0.00 O ATOM 577 CB ILE A 37 11.287 -0.810 -6.608 1.00 0.00 C ATOM 578 CG1 ILE A 37 11.982 -2.122 -6.976 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.619 0.311 -7.595 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.274 -2.808 -8.146 1.00 0.00 C ATOM 0 H ILE A 37 13.613 -0.491 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 37 11.076 0.532 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 37 10.213 -0.986 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.021 -1.926 -7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.993 -2.787 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.371 -0.010 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.040 1.200 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.683 0.543 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.788 -3.738 -8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.242 -3.025 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.287 -2.150 -9.015 1.00 0.00 H new ATOM 592 N GLN A 38 12.104 -2.175 -3.622 1.00 0.00 N ATOM 593 CA GLN A 38 11.802 -3.174 -2.611 1.00 0.00 C ATOM 594 C GLN A 38 11.235 -2.506 -1.357 1.00 0.00 C ATOM 595 O GLN A 38 11.962 -2.267 -0.393 1.00 0.00 O ATOM 596 CB GLN A 38 13.042 -4.006 -2.276 1.00 0.00 C ATOM 597 CG GLN A 38 13.125 -5.249 -3.165 1.00 0.00 C ATOM 598 CD GLN A 38 13.947 -6.350 -2.493 1.00 0.00 C ATOM 599 OE1 GLN A 38 14.145 -6.365 -1.289 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.412 -7.269 -3.335 1.00 0.00 N ATOM 0 H GLN A 38 13.084 -2.133 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 38 11.047 -3.851 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.938 -3.399 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.011 -4.305 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.121 -5.617 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.576 -4.986 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.209 -7.197 -4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.971 -8.046 -2.984 1.00 0.00 H new ATOM 609 N LEU A 39 9.942 -2.222 -1.410 1.00 0.00 N ATOM 610 CA LEU A 39 9.269 -1.586 -0.290 1.00 0.00 C ATOM 611 C LEU A 39 8.795 -2.659 0.692 1.00 0.00 C ATOM 612 O LEU A 39 8.439 -3.764 0.284 1.00 0.00 O ATOM 613 CB LEU A 39 8.149 -0.670 -0.788 1.00 0.00 C ATOM 614 CG LEU A 39 8.591 0.670 -1.379 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.389 1.583 -1.629 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.644 1.339 -0.493 1.00 0.00 C ATOM 0 H LEU A 39 9.342 -2.421 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 39 9.960 -0.941 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.577 -1.207 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.472 -0.472 0.043 1.00 0.00 H new ATOM 0 HG LEU A 39 9.057 0.480 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.732 2.529 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.706 1.101 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.872 1.770 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.941 2.290 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.227 1.515 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.515 0.689 -0.410 1.00 0.00 H new ATOM 628 N GLN A 40 8.806 -2.297 1.966 1.00 0.00 N ATOM 629 CA GLN A 40 8.381 -3.215 3.009 1.00 0.00 C ATOM 630 C GLN A 40 7.002 -2.818 3.537 1.00 0.00 C ATOM 631 O GLN A 40 6.841 -1.744 4.115 1.00 0.00 O ATOM 632 CB GLN A 40 9.408 -3.271 4.142 1.00 0.00 C ATOM 633 CG GLN A 40 9.949 -4.690 4.323 1.00 0.00 C ATOM 634 CD GLN A 40 9.676 -5.205 5.737 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.342 -4.849 6.695 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.661 -6.061 5.814 1.00 0.00 N ATOM 0 H GLN A 40 9.103 -1.380 2.300 1.00 0.00 H new ATOM 0 HA GLN A 40 8.309 -4.214 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.231 -2.589 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.949 -2.932 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.486 -5.355 3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.021 -4.702 4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.145 -6.317 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.399 -6.462 6.715 1.00 0.00 H new ATOM 645 N LEU A 41 6.042 -3.705 3.321 1.00 0.00 N ATOM 646 CA LEU A 41 4.682 -3.460 3.768 1.00 0.00 C ATOM 647 C LEU A 41 4.484 -4.083 5.151 1.00 0.00 C ATOM 648 O LEU A 41 4.915 -5.209 5.396 1.00 0.00 O ATOM 649 CB LEU A 41 3.677 -3.950 2.723 1.00 0.00 C ATOM 650 CG LEU A 41 3.330 -2.960 1.609 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.669 -3.540 0.235 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.867 -2.522 1.702 1.00 0.00 C ATOM 0 H LEU A 41 6.179 -4.595 2.842 1.00 0.00 H new ATOM 0 HA LEU A 41 4.503 -2.390 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.072 -4.857 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.756 -4.227 3.236 1.00 0.00 H new ATOM 0 HG LEU A 41 3.942 -2.068 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.413 -2.816 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.735 -3.761 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.101 -4.457 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.646 -1.819 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.220 -3.394 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.692 -2.041 2.664 1.00 0.00 H new ATOM 664 N SER A 42 3.831 -3.324 6.019 1.00 0.00 N ATOM 665 CA SER A 42 3.571 -3.788 7.372 1.00 0.00 C ATOM 666 C SER A 42 2.132 -3.458 7.770 1.00 0.00 C ATOM 667 O SER A 42 1.528 -2.536 7.223 1.00 0.00 O ATOM 668 CB SER A 42 4.553 -3.165 8.366 1.00 0.00 C ATOM 669 OG SER A 42 5.889 -3.167 7.870 1.00 0.00 O ATOM 0 H SER A 42 3.474 -2.391 5.812 1.00 0.00 H new ATOM 0 HA SER A 42 3.709 -4.869 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.248 -2.141 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.515 -3.715 9.306 1.00 0.00 H new ATOM 0 HG SER A 42 6.485 -2.760 8.533 1.00 0.00 H new ATOM 675 N ALA A 43 1.623 -4.229 8.720 1.00 0.00 N ATOM 676 CA ALA A 43 0.265 -4.030 9.198 1.00 0.00 C ATOM 677 C ALA A 43 0.297 -3.715 10.695 1.00 0.00 C ATOM 678 O ALA A 43 0.913 -4.442 11.473 1.00 0.00 O ATOM 679 CB ALA A 43 -0.575 -5.269 8.881 1.00 0.00 C ATOM 0 H ALA A 43 2.127 -4.993 9.172 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.199 -3.183 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.593 -5.120 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.590 -5.432 7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.141 -6.139 9.374 1.00 0.00 H new ATOM 685 N GLU A 44 -0.374 -2.631 11.054 1.00 0.00 N ATOM 686 CA GLU A 44 -0.430 -2.211 12.443 1.00 0.00 C ATOM 687 C GLU A 44 -1.832 -2.442 13.012 1.00 0.00 C ATOM 688 O GLU A 44 -1.988 -3.103 14.037 1.00 0.00 O ATOM 689 CB GLU A 44 -0.014 -0.746 12.591 1.00 0.00 C ATOM 690 CG GLU A 44 1.237 -0.445 11.762 1.00 0.00 C ATOM 691 CD GLU A 44 2.099 -1.698 11.597 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.517 -2.242 12.642 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.321 -2.084 10.429 1.00 0.00 O ATOM 0 H GLU A 44 -0.884 -2.030 10.406 1.00 0.00 H new ATOM 0 HA GLU A 44 0.277 -2.815 13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.831 -0.098 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.178 -0.523 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.946 -0.068 10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.818 0.340 12.246 1.00 0.00 H new ATOM 700 N SER A 45 -2.815 -1.885 12.321 1.00 0.00 N ATOM 701 CA SER A 45 -4.198 -2.023 12.744 1.00 0.00 C ATOM 702 C SER A 45 -5.059 -2.499 11.572 1.00 0.00 C ATOM 703 O SER A 45 -4.625 -2.458 10.422 1.00 0.00 O ATOM 704 CB SER A 45 -4.739 -0.703 13.298 1.00 0.00 C ATOM 705 OG SER A 45 -3.731 0.302 13.360 1.00 0.00 O ATOM 0 H SER A 45 -2.681 -1.337 11.471 1.00 0.00 H new ATOM 0 HA SER A 45 -4.239 -2.765 13.542 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.560 -0.355 12.670 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.148 -0.868 14.295 1.00 0.00 H new ATOM 0 HG SER A 45 -3.716 0.803 12.518 1.00 0.00 H new ATOM 711 N VAL A 46 -6.264 -2.939 11.904 1.00 0.00 N ATOM 712 CA VAL A 46 -7.190 -3.422 10.894 1.00 0.00 C ATOM 713 C VAL A 46 -7.520 -2.284 9.925 1.00 0.00 C ATOM 714 O VAL A 46 -8.124 -1.287 10.317 1.00 0.00 O ATOM 715 CB VAL A 46 -8.430 -4.017 11.562 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.497 -4.369 10.524 1.00 0.00 C ATOM 717 CG2 VAL A 46 -8.065 -5.238 12.408 1.00 0.00 C ATOM 0 H VAL A 46 -6.620 -2.971 12.859 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.736 -4.224 10.312 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.847 -3.261 12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.368 -4.790 11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.790 -3.469 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.095 -5.099 9.822 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.965 -5.642 12.872 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.612 -5.999 11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.357 -4.945 13.184 1.00 0.00 H new ATOM 727 N GLY A 47 -7.109 -2.472 8.680 1.00 0.00 N ATOM 728 CA GLY A 47 -7.354 -1.474 7.653 1.00 0.00 C ATOM 729 C GLY A 47 -6.222 -0.446 7.606 1.00 0.00 C ATOM 730 O GLY A 47 -6.377 0.628 7.026 1.00 0.00 O ATOM 0 H GLY A 47 -6.608 -3.300 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.448 -1.961 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.300 -0.970 7.849 1.00 0.00 H new ATOM 734 N GLU A 48 -5.108 -0.810 8.225 1.00 0.00 N ATOM 735 CA GLU A 48 -3.951 0.067 8.262 1.00 0.00 C ATOM 736 C GLU A 48 -2.701 -0.684 7.798 1.00 0.00 C ATOM 737 O GLU A 48 -2.482 -1.831 8.184 1.00 0.00 O ATOM 738 CB GLU A 48 -3.751 0.653 9.661 1.00 0.00 C ATOM 739 CG GLU A 48 -4.909 1.578 10.038 1.00 0.00 C ATOM 740 CD GLU A 48 -4.438 2.691 10.977 1.00 0.00 C ATOM 741 OE1 GLU A 48 -3.786 2.345 11.986 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.740 3.863 10.664 1.00 0.00 O ATOM 0 H GLU A 48 -4.983 -1.701 8.705 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.127 0.898 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.673 -0.154 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.812 1.206 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.338 2.015 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.698 1.001 10.519 1.00 0.00 H new ATOM 749 N VAL A 49 -1.913 -0.006 6.976 1.00 0.00 N ATOM 750 CA VAL A 49 -0.691 -0.595 6.456 1.00 0.00 C ATOM 751 C VAL A 49 0.377 0.493 6.322 1.00 0.00 C ATOM 752 O VAL A 49 0.056 1.661 6.110 1.00 0.00 O ATOM 753 CB VAL A 49 -0.978 -1.316 5.137 1.00 0.00 C ATOM 754 CG1 VAL A 49 -2.150 -2.288 5.288 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.237 -0.315 4.009 1.00 0.00 C ATOM 0 H VAL A 49 -2.097 0.945 6.658 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.306 -1.347 7.145 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.094 -1.896 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.333 -2.787 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.910 -3.032 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.042 -1.738 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.438 -0.854 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.097 0.304 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.360 0.319 3.877 1.00 0.00 H new ATOM 765 N TYR A 50 1.626 0.070 6.452 1.00 0.00 N ATOM 766 CA TYR A 50 2.743 0.993 6.348 1.00 0.00 C ATOM 767 C TYR A 50 3.641 0.636 5.162 1.00 0.00 C ATOM 768 O TYR A 50 3.828 -0.540 4.851 1.00 0.00 O ATOM 769 CB TYR A 50 3.542 0.835 7.643 1.00 0.00 C ATOM 770 CG TYR A 50 3.236 1.900 8.698 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.335 3.238 8.375 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.860 1.523 9.971 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.047 4.241 9.368 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.571 2.525 10.963 1.00 0.00 C ATOM 775 CZ TYR A 50 2.679 3.835 10.613 1.00 0.00 C ATOM 776 OH TYR A 50 2.406 4.782 11.550 1.00 0.00 O ATOM 0 H TYR A 50 1.889 -0.900 6.628 1.00 0.00 H new ATOM 0 HA TYR A 50 2.386 2.012 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.338 -0.149 8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.606 0.867 7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.628 3.533 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.783 0.476 10.223 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.122 5.292 9.129 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.275 2.243 11.963 1.00 0.00 H new ATOM 0 HH TYR A 50 2.155 4.347 12.392 1.00 0.00 H new ATOM 786 N ILE A 51 4.174 1.672 4.531 1.00 0.00 N ATOM 787 CA ILE A 51 5.048 1.482 3.386 1.00 0.00 C ATOM 788 C ILE A 51 6.367 2.220 3.629 1.00 0.00 C ATOM 789 O ILE A 51 6.412 3.448 3.587 1.00 0.00 O ATOM 790 CB ILE A 51 4.339 1.899 2.096 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.882 1.431 2.095 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.101 1.402 0.866 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.193 1.785 0.776 1.00 0.00 C ATOM 0 H ILE A 51 4.017 2.646 4.791 1.00 0.00 H new ATOM 0 HA ILE A 51 5.290 0.426 3.262 1.00 0.00 H new ATOM 0 HB ILE A 51 4.328 2.988 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.843 0.353 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.347 1.894 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.576 1.712 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.106 1.825 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.166 0.314 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.159 1.441 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.213 2.865 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.716 1.301 -0.049 1.00 0.00 H new ATOM 805 N LYS A 52 7.408 1.438 3.876 1.00 0.00 N ATOM 806 CA LYS A 52 8.724 2.002 4.126 1.00 0.00 C ATOM 807 C LYS A 52 9.749 1.311 3.224 1.00 0.00 C ATOM 808 O LYS A 52 9.618 0.125 2.925 1.00 0.00 O ATOM 809 CB LYS A 52 9.065 1.927 5.615 1.00 0.00 C ATOM 810 CG LYS A 52 10.367 2.671 5.917 1.00 0.00 C ATOM 811 CD LYS A 52 11.219 1.899 6.927 1.00 0.00 C ATOM 812 CE LYS A 52 12.409 2.738 7.396 1.00 0.00 C ATOM 813 NZ LYS A 52 13.490 1.865 7.907 1.00 0.00 N ATOM 0 H LYS A 52 7.367 0.419 3.908 1.00 0.00 H new ATOM 0 HA LYS A 52 8.739 3.062 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.252 2.357 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.159 0.884 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.930 2.814 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.141 3.662 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.607 1.618 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.577 0.974 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.782 3.344 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.090 3.427 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.290 2.451 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.135 1.306 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.806 1.225 7.151 1.00 0.00 H new ATOM 827 N SER A 53 10.746 2.082 2.817 1.00 0.00 N ATOM 828 CA SER A 53 11.793 1.559 1.956 1.00 0.00 C ATOM 829 C SER A 53 12.822 0.792 2.789 1.00 0.00 C ATOM 830 O SER A 53 13.210 1.239 3.867 1.00 0.00 O ATOM 831 CB SER A 53 12.475 2.682 1.173 1.00 0.00 C ATOM 832 OG SER A 53 12.872 2.261 -0.129 1.00 0.00 O ATOM 0 H SER A 53 10.851 3.065 3.067 1.00 0.00 H new ATOM 0 HA SER A 53 11.336 0.878 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.795 3.529 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.349 3.029 1.724 1.00 0.00 H new ATOM 0 HG SER A 53 13.302 3.007 -0.597 1.00 0.00 H new ATOM 838 N THR A 54 13.233 -0.350 2.258 1.00 0.00 N ATOM 839 CA THR A 54 14.210 -1.183 2.940 1.00 0.00 C ATOM 840 C THR A 54 15.627 -0.809 2.504 1.00 0.00 C ATOM 841 O THR A 54 16.604 -1.253 3.106 1.00 0.00 O ATOM 842 CB THR A 54 13.856 -2.646 2.666 1.00 0.00 C ATOM 843 OG1 THR A 54 13.981 -2.775 1.252 1.00 0.00 O ATOM 844 CG2 THR A 54 12.382 -2.954 2.939 1.00 0.00 C ATOM 0 H THR A 54 12.908 -0.718 1.364 1.00 0.00 H new ATOM 0 HA THR A 54 14.183 -1.023 4.018 1.00 0.00 H new ATOM 0 HB THR A 54 14.482 -3.291 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.109 -2.623 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.185 -4.005 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.154 -2.744 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.756 -2.332 2.299 1.00 0.00 H new ATOM 852 N GLU A 55 15.696 0.005 1.460 1.00 0.00 N ATOM 853 CA GLU A 55 16.978 0.444 0.936 1.00 0.00 C ATOM 854 C GLU A 55 17.462 1.685 1.689 1.00 0.00 C ATOM 855 O GLU A 55 18.350 1.595 2.535 1.00 0.00 O ATOM 856 CB GLU A 55 16.893 0.714 -0.567 1.00 0.00 C ATOM 857 CG GLU A 55 18.271 1.045 -1.144 1.00 0.00 C ATOM 858 CD GLU A 55 19.011 -0.228 -1.560 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.865 -1.233 -0.832 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.706 -0.167 -2.597 1.00 0.00 O ATOM 0 H GLU A 55 14.884 0.372 0.963 1.00 0.00 H new ATOM 0 HA GLU A 55 17.703 -0.356 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.483 -0.159 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.209 1.542 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.160 1.703 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.859 1.586 -0.403 1.00 0.00 H new ATOM 867 N THR A 56 16.856 2.815 1.355 1.00 0.00 N ATOM 868 CA THR A 56 17.214 4.072 1.989 1.00 0.00 C ATOM 869 C THR A 56 16.789 4.069 3.458 1.00 0.00 C ATOM 870 O THR A 56 17.601 4.328 4.344 1.00 0.00 O ATOM 871 CB THR A 56 16.587 5.207 1.177 1.00 0.00 C ATOM 872 OG1 THR A 56 15.192 5.094 1.444 1.00 0.00 O ATOM 873 CG2 THR A 56 16.697 4.978 -0.332 1.00 0.00 C ATOM 0 H THR A 56 16.119 2.886 0.653 1.00 0.00 H new ATOM 0 HA THR A 56 18.294 4.217 1.997 1.00 0.00 H new ATOM 0 HB THR A 56 17.070 6.149 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.687 5.260 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.237 5.812 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.748 4.905 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.185 4.053 -0.598 1.00 0.00 H new ATOM 881 N GLY A 57 15.515 3.772 3.671 1.00 0.00 N ATOM 882 CA GLY A 57 14.971 3.731 5.018 1.00 0.00 C ATOM 883 C GLY A 57 14.032 4.914 5.266 1.00 0.00 C ATOM 884 O GLY A 57 14.108 5.563 6.309 1.00 0.00 O ATOM 0 H GLY A 57 14.844 3.558 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.431 2.796 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.784 3.749 5.743 1.00 0.00 H new ATOM 888 N GLN A 58 13.170 5.158 4.291 1.00 0.00 N ATOM 889 CA GLN A 58 12.217 6.251 4.391 1.00 0.00 C ATOM 890 C GLN A 58 10.786 5.715 4.322 1.00 0.00 C ATOM 891 O GLN A 58 10.542 4.657 3.744 1.00 0.00 O ATOM 892 CB GLN A 58 12.465 7.295 3.300 1.00 0.00 C ATOM 893 CG GLN A 58 13.963 7.524 3.090 1.00 0.00 C ATOM 894 CD GLN A 58 14.227 8.257 1.773 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.873 9.290 1.727 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.691 7.666 0.709 1.00 0.00 N ATOM 0 H GLN A 58 13.111 4.618 3.428 1.00 0.00 H new ATOM 0 HA GLN A 58 12.354 6.741 5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.010 6.965 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.985 8.234 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.366 8.104 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.484 6.567 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.161 6.801 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.810 8.077 -0.217 1.00 0.00 H new ATOM 905 N TYR A 59 9.876 6.471 4.919 1.00 0.00 N ATOM 906 CA TYR A 59 8.475 6.085 4.932 1.00 0.00 C ATOM 907 C TYR A 59 7.691 6.829 3.849 1.00 0.00 C ATOM 908 O TYR A 59 7.863 8.034 3.671 1.00 0.00 O ATOM 909 CB TYR A 59 7.938 6.494 6.306 1.00 0.00 C ATOM 910 CG TYR A 59 8.764 5.964 7.479 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.648 4.643 7.863 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.624 6.806 8.155 1.00 0.00 C ATOM 913 CE1 TYR A 59 9.425 4.144 8.968 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.401 6.306 9.259 1.00 0.00 C ATOM 915 CZ TYR A 59 10.263 5.000 9.612 1.00 0.00 C ATOM 916 OH TYR A 59 10.997 4.529 10.655 1.00 0.00 O ATOM 0 H TYR A 59 10.081 7.348 5.397 1.00 0.00 H new ATOM 0 HA TYR A 59 8.369 5.017 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.903 7.582 6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.913 6.136 6.405 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.975 3.984 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.714 7.840 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.344 3.113 9.278 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.079 6.954 9.795 1.00 0.00 H new ATOM 0 HH TYR A 59 11.551 5.251 11.018 1.00 0.00 H new ATOM 926 N LEU A 60 6.847 6.081 3.155 1.00 0.00 N ATOM 927 CA LEU A 60 6.036 6.654 2.095 1.00 0.00 C ATOM 928 C LEU A 60 4.870 7.429 2.712 1.00 0.00 C ATOM 929 O LEU A 60 4.052 6.857 3.431 1.00 0.00 O ATOM 930 CB LEU A 60 5.599 5.569 1.108 1.00 0.00 C ATOM 931 CG LEU A 60 4.723 6.035 -0.057 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.572 6.659 -1.166 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.850 4.892 -0.578 1.00 0.00 C ATOM 0 H LEU A 60 6.707 5.082 3.306 1.00 0.00 H new ATOM 0 HA LEU A 60 6.620 7.366 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.492 5.097 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.057 4.801 1.660 1.00 0.00 H new ATOM 0 HG LEU A 60 4.052 6.811 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.925 6.982 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.113 7.519 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.284 5.922 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.237 5.250 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.486 4.077 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.204 4.533 0.223 1.00 0.00 H new ATOM 945 N ALA A 61 4.831 8.718 2.409 1.00 0.00 N ATOM 946 CA ALA A 61 3.779 9.577 2.925 1.00 0.00 C ATOM 947 C ALA A 61 3.341 10.553 1.832 1.00 0.00 C ATOM 948 O ALA A 61 4.132 10.910 0.960 1.00 0.00 O ATOM 949 CB ALA A 61 4.276 10.294 4.182 1.00 0.00 C ATOM 0 H ALA A 61 5.511 9.189 1.812 1.00 0.00 H new ATOM 0 HA ALA A 61 2.907 8.988 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.487 10.939 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.547 9.557 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.149 10.898 3.935 1.00 0.00 H new ATOM 955 N MET A 62 2.082 10.957 1.914 1.00 0.00 N ATOM 956 CA MET A 62 1.529 11.885 0.942 1.00 0.00 C ATOM 957 C MET A 62 1.355 13.278 1.551 1.00 0.00 C ATOM 958 O MET A 62 0.574 13.458 2.484 1.00 0.00 O ATOM 959 CB MET A 62 0.174 11.367 0.455 1.00 0.00 C ATOM 960 CG MET A 62 -0.489 12.371 -0.490 1.00 0.00 C ATOM 961 SD MET A 62 -1.890 11.616 -1.298 1.00 0.00 S ATOM 962 CE MET A 62 -1.101 10.185 -2.015 1.00 0.00 C ATOM 0 H MET A 62 1.429 10.659 2.639 1.00 0.00 H new ATOM 0 HA MET A 62 2.222 11.960 0.104 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.308 10.414 -0.057 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.477 11.182 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.811 13.250 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.230 12.712 -1.235 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.596 9.928 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.051 10.407 -2.208 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.173 9.345 -1.324 1.00 0.00 H new ATOM 972 N ASP A 63 2.095 14.227 0.998 1.00 0.00 N ATOM 973 CA ASP A 63 2.032 15.598 1.475 1.00 0.00 C ATOM 974 C ASP A 63 0.670 16.197 1.116 1.00 0.00 C ATOM 975 O ASP A 63 -0.256 15.471 0.759 1.00 0.00 O ATOM 976 CB ASP A 63 3.114 16.459 0.821 1.00 0.00 C ATOM 977 CG ASP A 63 4.124 17.076 1.790 1.00 0.00 C ATOM 978 OD1 ASP A 63 3.693 17.436 2.906 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.306 17.172 1.393 1.00 0.00 O ATOM 0 H ASP A 63 2.741 14.074 0.224 1.00 0.00 H new ATOM 0 HA ASP A 63 2.184 15.586 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.654 15.849 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.631 17.262 0.264 1.00 0.00 H new ATOM 984 N THR A 64 0.592 17.515 1.224 1.00 0.00 N ATOM 985 CA THR A 64 -0.641 18.219 0.915 1.00 0.00 C ATOM 986 C THR A 64 -0.719 18.527 -0.581 1.00 0.00 C ATOM 987 O THR A 64 -1.746 18.996 -1.070 1.00 0.00 O ATOM 988 CB THR A 64 -0.706 19.468 1.797 1.00 0.00 C ATOM 989 OG1 THR A 64 0.204 20.375 1.182 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.115 19.233 3.189 1.00 0.00 C ATOM 0 H THR A 64 1.362 18.114 1.521 1.00 0.00 H new ATOM 0 HA THR A 64 -1.513 17.603 1.134 1.00 0.00 H new ATOM 0 HB THR A 64 -1.743 19.791 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.223 21.213 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.186 20.150 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.669 18.439 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.931 18.942 3.096 1.00 0.00 H new ATOM 998 N ASP A 65 0.380 18.251 -1.268 1.00 0.00 N ATOM 999 CA ASP A 65 0.449 18.493 -2.699 1.00 0.00 C ATOM 1000 C ASP A 65 -0.143 17.295 -3.443 1.00 0.00 C ATOM 1001 O ASP A 65 -0.290 17.329 -4.664 1.00 0.00 O ATOM 1002 CB ASP A 65 1.898 18.666 -3.159 1.00 0.00 C ATOM 1003 CG ASP A 65 2.399 20.111 -3.189 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.210 20.755 -4.244 1.00 0.00 O ATOM 1005 OD2 ASP A 65 2.959 20.540 -2.157 1.00 0.00 O ATOM 0 H ASP A 65 1.230 17.862 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.109 19.404 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.544 18.087 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.999 18.241 -4.158 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.468 16.264 -2.677 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.041 15.058 -3.249 1.00 0.00 C ATOM 1012 C GLY A 66 0.051 14.145 -3.810 1.00 0.00 C ATOM 1013 O GLY A 66 -0.244 13.088 -4.367 1.00 0.00 O ATOM 0 H GLY A 66 -0.345 16.239 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.610 14.525 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.740 15.324 -4.042 1.00 0.00 H new ATOM 1017 N LEU A 67 1.290 14.586 -3.645 1.00 0.00 N ATOM 1018 CA LEU A 67 2.427 13.821 -4.128 1.00 0.00 C ATOM 1019 C LEU A 67 2.921 12.892 -3.018 1.00 0.00 C ATOM 1020 O LEU A 67 2.516 13.028 -1.864 1.00 0.00 O ATOM 1021 CB LEU A 67 3.508 14.757 -4.673 1.00 0.00 C ATOM 1022 CG LEU A 67 3.236 15.366 -6.050 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.553 16.729 -5.922 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.520 15.444 -6.879 1.00 0.00 C ATOM 0 H LEU A 67 1.531 15.463 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 67 2.133 13.188 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.650 15.569 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.447 14.206 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 67 2.548 14.710 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.371 17.140 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.604 16.613 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.196 17.407 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.298 15.881 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.251 16.065 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.927 14.442 -7.015 1.00 0.00 H new ATOM 1036 N LEU A 68 3.788 11.969 -3.405 1.00 0.00 N ATOM 1037 CA LEU A 68 4.342 11.017 -2.456 1.00 0.00 C ATOM 1038 C LEU A 68 5.801 11.377 -2.172 1.00 0.00 C ATOM 1039 O LEU A 68 6.575 11.621 -3.097 1.00 0.00 O ATOM 1040 CB LEU A 68 4.148 9.585 -2.958 1.00 0.00 C ATOM 1041 CG LEU A 68 2.699 9.105 -3.072 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.549 8.077 -4.195 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.193 8.567 -1.732 1.00 0.00 C ATOM 0 H LEU A 68 4.121 11.859 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 68 3.809 11.072 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.617 9.498 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.682 8.911 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 68 2.075 9.960 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.510 7.752 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.843 8.528 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.187 7.217 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.161 8.233 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.815 7.729 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.242 9.356 -0.981 1.00 0.00 H new ATOM 1055 N TYR A 69 6.134 11.398 -0.890 1.00 0.00 N ATOM 1056 CA TYR A 69 7.487 11.723 -0.473 1.00 0.00 C ATOM 1057 C TYR A 69 7.908 10.879 0.732 1.00 0.00 C ATOM 1058 O TYR A 69 7.068 10.476 1.536 1.00 0.00 O ATOM 1059 CB TYR A 69 7.459 13.197 -0.062 1.00 0.00 C ATOM 1060 CG TYR A 69 6.819 13.450 1.305 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.449 13.014 2.453 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.613 14.114 1.389 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.847 13.252 3.739 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.011 14.352 2.676 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.658 13.910 3.787 1.00 0.00 C ATOM 1066 OH TYR A 69 5.089 14.135 5.002 1.00 0.00 O ATOM 0 H TYR A 69 5.490 11.195 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 69 8.194 11.526 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.480 13.580 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.915 13.764 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.393 12.494 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.120 14.455 0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.329 12.916 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.067 14.870 2.756 1.00 0.00 H new ATOM 0 HH TYR A 69 4.243 14.616 4.883 1.00 0.00 H new ATOM 1076 N GLY A 70 9.207 10.636 0.819 1.00 0.00 N ATOM 1077 CA GLY A 70 9.749 9.846 1.912 1.00 0.00 C ATOM 1078 C GLY A 70 9.955 10.707 3.160 1.00 0.00 C ATOM 1079 O GLY A 70 10.635 11.730 3.108 1.00 0.00 O ATOM 0 H GLY A 70 9.900 10.972 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.072 9.023 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.698 9.404 1.610 1.00 0.00 H new ATOM 1083 N SER A 71 9.355 10.259 4.253 1.00 0.00 N ATOM 1084 CA SER A 71 9.463 10.976 5.513 1.00 0.00 C ATOM 1085 C SER A 71 10.658 10.451 6.312 1.00 0.00 C ATOM 1086 O SER A 71 10.912 9.247 6.338 1.00 0.00 O ATOM 1087 CB SER A 71 8.178 10.846 6.333 1.00 0.00 C ATOM 1088 OG SER A 71 8.147 11.760 7.425 1.00 0.00 O ATOM 0 H SER A 71 8.793 9.409 4.293 1.00 0.00 H new ATOM 0 HA SER A 71 9.616 12.033 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.317 11.022 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.090 9.827 6.710 1.00 0.00 H new ATOM 0 HG SER A 71 8.212 11.265 8.268 1.00 0.00 H new ATOM 1094 N GLN A 72 11.361 11.380 6.944 1.00 0.00 N ATOM 1095 CA GLN A 72 12.523 11.026 7.741 1.00 0.00 C ATOM 1096 C GLN A 72 12.109 10.138 8.916 1.00 0.00 C ATOM 1097 O GLN A 72 12.826 9.205 9.276 1.00 0.00 O ATOM 1098 CB GLN A 72 13.254 12.278 8.231 1.00 0.00 C ATOM 1099 CG GLN A 72 14.713 11.964 8.567 1.00 0.00 C ATOM 1100 CD GLN A 72 15.658 12.953 7.882 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.249 13.827 7.135 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.942 12.768 8.178 1.00 0.00 N ATOM 0 H GLN A 72 11.148 12.377 6.920 1.00 0.00 H new ATOM 0 HA GLN A 72 13.214 10.465 7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.212 13.052 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.751 12.675 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.858 12.005 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.952 10.949 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.216 12.017 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.652 13.377 7.772 1.00 0.00 H new ATOM 1111 N THR A 73 10.955 10.459 9.482 1.00 0.00 N ATOM 1112 CA THR A 73 10.438 9.701 10.609 1.00 0.00 C ATOM 1113 C THR A 73 9.047 9.151 10.289 1.00 0.00 C ATOM 1114 O THR A 73 8.374 9.643 9.384 1.00 0.00 O ATOM 1115 CB THR A 73 10.464 10.609 11.841 1.00 0.00 C ATOM 1116 OG1 THR A 73 10.142 11.899 11.328 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.872 10.777 12.414 1.00 0.00 C ATOM 0 H THR A 73 10.363 11.234 9.181 1.00 0.00 H new ATOM 0 HA THR A 73 11.058 8.829 10.817 1.00 0.00 H new ATOM 0 HB THR A 73 9.806 10.200 12.608 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.329 11.841 10.784 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.834 11.430 13.286 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.264 9.803 12.707 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.522 11.218 11.658 1.00 0.00 H new ATOM 1125 N PRO A 74 8.647 8.111 11.068 1.00 0.00 N ATOM 1126 CA PRO A 74 7.348 7.489 10.877 1.00 0.00 C ATOM 1127 C PRO A 74 6.229 8.376 11.425 1.00 0.00 C ATOM 1128 O PRO A 74 6.151 8.610 12.631 1.00 0.00 O ATOM 1129 CB PRO A 74 7.445 6.148 11.587 1.00 0.00 C ATOM 1130 CG PRO A 74 8.624 6.266 12.539 1.00 0.00 C ATOM 1131 CD PRO A 74 9.417 7.502 12.149 1.00 0.00 C ATOM 0 HA PRO A 74 7.099 7.350 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.526 5.925 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.598 5.338 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.276 6.345 13.569 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.251 5.376 12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.525 8.185 12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.423 7.240 11.820 1.00 0.00 H new ATOM 1139 N ASN A 75 5.389 8.846 10.515 1.00 0.00 N ATOM 1140 CA ASN A 75 4.278 9.702 10.892 1.00 0.00 C ATOM 1141 C ASN A 75 2.975 9.105 10.357 1.00 0.00 C ATOM 1142 O ASN A 75 2.989 8.328 9.404 1.00 0.00 O ATOM 1143 CB ASN A 75 4.435 11.103 10.297 1.00 0.00 C ATOM 1144 CG ASN A 75 5.506 11.899 11.045 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.471 12.053 12.255 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.457 12.396 10.259 1.00 0.00 N ATOM 0 H ASN A 75 5.456 8.650 9.516 1.00 0.00 H new ATOM 0 HA ASN A 75 4.261 9.772 11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.703 11.027 9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.483 11.632 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.217 12.944 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.426 12.229 9.253 1.00 0.00 H new ATOM 1153 N GLU A 76 1.879 9.491 10.994 1.00 0.00 N ATOM 1154 CA GLU A 76 0.570 9.003 10.595 1.00 0.00 C ATOM 1155 C GLU A 76 0.384 9.158 9.084 1.00 0.00 C ATOM 1156 O GLU A 76 -0.292 8.348 8.452 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.541 9.724 11.360 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.198 8.793 12.381 1.00 0.00 C ATOM 1159 CD GLU A 76 -2.443 9.438 12.991 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -3.132 10.163 12.241 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -2.678 9.193 14.194 1.00 0.00 O ATOM 0 H GLU A 76 1.871 10.136 11.784 1.00 0.00 H new ATOM 0 HA GLU A 76 0.508 7.943 10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.130 10.596 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.292 10.089 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.470 7.854 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.485 8.552 13.170 1.00 0.00 H new ATOM 1168 N GLU A 77 0.997 10.204 8.549 1.00 0.00 N ATOM 1169 CA GLU A 77 0.908 10.475 7.124 1.00 0.00 C ATOM 1170 C GLU A 77 1.541 9.334 6.326 1.00 0.00 C ATOM 1171 O GLU A 77 1.234 9.149 5.149 1.00 0.00 O ATOM 1172 CB GLU A 77 1.562 11.814 6.779 1.00 0.00 C ATOM 1173 CG GLU A 77 0.653 12.984 7.162 1.00 0.00 C ATOM 1174 CD GLU A 77 1.267 14.318 6.734 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.237 14.736 7.401 1.00 0.00 O ATOM 1176 OE2 GLU A 77 0.751 14.890 5.749 1.00 0.00 O ATOM 0 H GLU A 77 1.557 10.874 9.077 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.145 10.542 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.514 11.903 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.779 11.852 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.322 12.861 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.489 12.984 8.240 1.00 0.00 H new ATOM 1183 N CYS A 78 2.414 8.597 6.997 1.00 0.00 N ATOM 1184 CA CYS A 78 3.093 7.479 6.365 1.00 0.00 C ATOM 1185 C CYS A 78 2.170 6.260 6.426 1.00 0.00 C ATOM 1186 O CYS A 78 2.309 5.332 5.631 1.00 0.00 O ATOM 1187 CB CYS A 78 4.450 7.200 7.015 1.00 0.00 C ATOM 1188 SG CYS A 78 5.504 8.694 6.928 1.00 0.00 S ATOM 0 H CYS A 78 2.667 8.753 7.973 1.00 0.00 H new ATOM 0 HA CYS A 78 3.306 7.721 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.311 6.903 8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.941 6.369 6.509 1.00 0.00 H new ATOM 0 HG CYS A 78 4.753 9.755 6.926 1.00 0.00 H new ATOM 1194 N LEU A 79 1.249 6.303 7.377 1.00 0.00 N ATOM 1195 CA LEU A 79 0.303 5.213 7.552 1.00 0.00 C ATOM 1196 C LEU A 79 -0.892 5.426 6.621 1.00 0.00 C ATOM 1197 O LEU A 79 -1.508 6.491 6.630 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.083 5.070 9.025 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.023 3.911 9.363 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.413 2.572 8.945 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.405 3.929 10.844 1.00 0.00 C ATOM 0 H LEU A 79 1.137 7.075 8.034 1.00 0.00 H new ATOM 0 HA LEU A 79 0.760 4.264 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.830 4.954 9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.553 5.999 9.349 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.943 4.039 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.101 1.765 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.233 2.574 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.530 2.422 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.074 3.095 11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.506 3.838 11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.909 4.867 11.078 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.184 4.397 5.839 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.294 4.458 4.904 1.00 0.00 C ATOM 1215 C PHE A 80 -3.318 3.359 5.195 1.00 0.00 C ATOM 1216 O PHE A 80 -3.034 2.423 5.941 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.713 4.240 3.505 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.953 5.447 2.952 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.089 5.973 3.651 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.318 5.994 1.762 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.795 7.093 3.138 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.612 7.115 1.249 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.429 7.640 1.948 1.00 0.00 C ATOM 0 H PHE A 80 -0.670 3.516 5.834 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.800 5.420 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.042 3.382 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.524 3.990 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.379 5.539 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.145 5.576 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.622 7.510 3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.902 7.550 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.966 8.492 1.558 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.487 3.509 4.591 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.555 2.540 4.776 1.00 0.00 C ATOM 1235 C LEU A 81 -5.638 1.638 3.544 1.00 0.00 C ATOM 1236 O LEU A 81 -5.811 2.121 2.426 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.869 3.249 5.109 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.802 4.298 6.221 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.837 3.864 7.326 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.446 5.674 5.656 1.00 0.00 C ATOM 0 H LEU A 81 -4.719 4.287 3.973 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.342 1.896 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.238 3.731 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.604 2.495 5.391 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.791 4.382 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.808 4.627 8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.176 2.921 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.839 3.734 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.405 6.401 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.475 5.625 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.204 5.978 4.934 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.510 0.342 3.789 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.569 -0.633 2.713 1.00 0.00 C ATOM 1254 C GLU A 82 -6.869 -1.435 2.794 1.00 0.00 C ATOM 1255 O GLU A 82 -7.374 -1.697 3.884 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.351 -1.558 2.744 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.570 -2.783 1.854 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.089 -3.968 2.672 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.910 -3.714 3.580 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.654 -5.100 2.370 1.00 0.00 O ATOM 0 H GLU A 82 -5.366 -0.056 4.717 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.554 -0.098 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.468 -1.014 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.159 -1.878 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.282 -2.541 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.634 -3.055 1.366 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.373 -1.804 1.625 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.605 -2.572 1.551 1.00 0.00 C ATOM 1269 C ARG A 83 -8.614 -3.439 0.290 1.00 0.00 C ATOM 1270 O ARG A 83 -8.023 -3.073 -0.724 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.827 -1.652 1.537 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.805 -2.022 2.653 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.898 -2.960 2.136 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.183 -2.658 2.806 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.280 -3.420 2.705 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.256 -4.534 1.962 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.402 -3.068 3.348 1.00 0.00 N ATOM 0 H ARG A 83 -6.951 -1.586 0.722 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.653 -3.208 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.508 -0.617 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.328 -1.722 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.266 -2.502 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.259 -1.118 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.005 -2.847 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.617 -3.997 2.321 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.236 -1.817 3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.402 -4.802 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.092 -5.114 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.421 -2.220 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.237 -3.648 3.271 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.291 -4.573 0.396 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.384 -5.496 -0.723 1.00 0.00 C ATOM 1293 C LEU A 84 -10.640 -5.178 -1.537 1.00 0.00 C ATOM 1294 O LEU A 84 -11.755 -5.452 -1.098 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.321 -6.943 -0.230 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.456 -8.024 -1.305 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.914 -8.460 -1.464 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.849 -7.558 -2.630 1.00 0.00 C ATOM 0 H LEU A 84 -9.780 -4.874 1.239 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.531 -5.373 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.373 -7.089 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.111 -7.090 0.506 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.892 -8.899 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.982 -9.229 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.279 -8.860 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.521 -7.602 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.958 -8.345 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.365 -6.660 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.791 -7.337 -2.488 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.415 -4.602 -2.710 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.515 -4.244 -3.589 1.00 0.00 C ATOM 1312 C GLU A 85 -11.539 -5.165 -4.811 1.00 0.00 C ATOM 1313 O GLU A 85 -10.533 -5.790 -5.142 1.00 0.00 O ATOM 1314 CB GLU A 85 -11.423 -2.776 -4.011 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.183 -2.530 -4.873 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.524 -2.617 -6.362 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -11.702 -2.356 -6.691 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -9.600 -2.942 -7.138 1.00 0.00 O ATOM 0 H GLU A 85 -9.488 -4.375 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.449 -4.373 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.318 -2.497 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.387 -2.141 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.769 -1.547 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.415 -3.264 -4.629 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.700 -5.219 -5.448 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.869 -6.054 -6.625 1.00 0.00 C ATOM 1327 C GLU A 86 -11.748 -5.785 -7.632 1.00 0.00 C ATOM 1328 O GLU A 86 -10.853 -4.983 -7.369 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.242 -5.832 -7.262 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.308 -6.689 -6.578 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.588 -6.743 -7.415 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -17.225 -5.676 -7.547 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.900 -7.851 -7.903 1.00 0.00 O ATOM 0 H GLU A 86 -13.532 -4.698 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.812 -7.098 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.515 -4.779 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.199 -6.077 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.926 -7.698 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.531 -6.281 -5.592 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.833 -6.471 -8.762 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.838 -6.316 -9.809 1.00 0.00 C ATOM 1342 C ASN A 87 -9.544 -7.014 -9.383 1.00 0.00 C ATOM 1343 O ASN A 87 -8.542 -6.957 -10.093 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.520 -4.839 -10.053 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.790 -4.454 -11.509 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -9.870 -3.650 -12.034 1.00 0.00 O flip ATOM 1347 ND2 ASN A 87 -11.768 -4.859 -12.114 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.576 -7.136 -8.975 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.239 -6.754 -10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.124 -4.219 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.476 -4.643 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.436 -5.475 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.918 -4.582 -13.084 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.609 -7.656 -8.226 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.455 -8.364 -7.698 1.00 0.00 C ATOM 1356 C HIS A 88 -7.289 -7.389 -7.527 1.00 0.00 C ATOM 1357 O HIS A 88 -6.189 -7.639 -8.017 1.00 0.00 O ATOM 1358 CB HIS A 88 -8.102 -9.562 -8.581 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.579 -10.755 -7.817 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -8.292 -11.365 -6.800 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.407 -11.443 -7.932 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -7.572 -12.374 -6.331 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.404 -12.420 -7.034 1.00 0.00 N ATOM 0 H HIS A 88 -10.442 -7.701 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.691 -8.769 -6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.988 -9.862 -9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.353 -9.254 -9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.615 -11.229 -8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.859 -13.042 -5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.652 -13.094 -6.893 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.569 -6.297 -6.830 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.556 -5.283 -6.588 1.00 0.00 C ATOM 1373 C TYR A 89 -6.729 -4.655 -5.204 1.00 0.00 C ATOM 1374 O TYR A 89 -7.797 -4.754 -4.602 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.774 -4.207 -7.654 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.094 -4.509 -8.991 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.832 -5.067 -9.012 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.742 -4.222 -10.175 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.191 -5.350 -10.270 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.101 -4.506 -11.433 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.857 -5.056 -11.419 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.252 -5.323 -12.607 1.00 0.00 O ATOM 0 H TYR A 89 -8.483 -6.092 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.558 -5.719 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.844 -4.087 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.402 -3.255 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.325 -5.291 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.729 -3.785 -10.158 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.203 -5.786 -10.301 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.597 -4.287 -12.367 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.845 -5.062 -13.342 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.661 -4.023 -4.739 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.681 -3.379 -3.437 1.00 0.00 C ATOM 1394 C ASN A 90 -5.501 -1.870 -3.616 1.00 0.00 C ATOM 1395 O ASN A 90 -4.911 -1.424 -4.598 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.541 -3.889 -2.553 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.511 -5.419 -2.524 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.581 -6.086 -3.544 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.405 -5.935 -1.303 1.00 0.00 N ATOM 0 H ASN A 90 -4.777 -3.943 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.636 -3.607 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.589 -3.510 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.662 -3.505 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.378 -6.947 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.351 -5.319 -0.492 1.00 0.00 H new ATOM 1406 N THR A 91 -6.022 -1.126 -2.651 1.00 0.00 N ATOM 1407 CA THR A 91 -5.926 0.323 -2.690 1.00 0.00 C ATOM 1408 C THR A 91 -5.291 0.851 -1.402 1.00 0.00 C ATOM 1409 O THR A 91 -5.293 0.167 -0.380 1.00 0.00 O ATOM 1410 CB THR A 91 -7.326 0.883 -2.950 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.195 -0.039 -2.298 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.728 0.794 -4.424 1.00 0.00 C ATOM 0 H THR A 91 -6.512 -1.500 -1.838 1.00 0.00 H new ATOM 0 HA THR A 91 -5.272 0.654 -3.497 1.00 0.00 H new ATOM 0 HB THR A 91 -7.367 1.922 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.124 0.249 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.729 1.205 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.022 1.363 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.720 -0.249 -4.741 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.762 2.062 -1.494 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.124 2.689 -0.349 1.00 0.00 C ATOM 1422 C TYR A 92 -4.475 4.176 -0.273 1.00 0.00 C ATOM 1423 O TYR A 92 -4.399 4.888 -1.273 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.618 2.543 -0.573 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.142 1.093 -0.682 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.356 0.216 0.362 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.500 0.662 -1.825 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.909 -1.149 0.259 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -1.052 -0.703 -1.928 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.279 -1.541 -0.881 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.856 -2.830 -0.978 1.00 0.00 O ATOM 0 H TYR A 92 -4.762 2.626 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.455 2.222 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.344 3.074 -1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.090 3.027 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.859 0.554 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.333 1.348 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.070 -1.846 1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.547 -1.053 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.424 -2.968 -1.847 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.850 4.602 0.925 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.212 5.992 1.145 1.00 0.00 C ATOM 1443 C ILE A 93 -4.567 6.483 2.442 1.00 0.00 C ATOM 1444 O ILE A 93 -4.548 5.766 3.441 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.733 6.161 1.111 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.281 5.918 -0.296 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.144 7.530 1.658 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.745 5.476 -0.246 1.00 0.00 C ATOM 0 H ILE A 93 -4.911 4.009 1.753 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.827 6.618 0.340 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.175 5.407 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.193 6.830 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.684 5.155 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.229 7.625 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.804 7.627 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.691 8.315 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.110 5.310 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.827 4.551 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.343 6.252 0.232 1.00 0.00 H new ATOM 1460 N SER A 94 -4.054 7.704 2.385 1.00 0.00 N ATOM 1461 CA SER A 94 -3.410 8.299 3.543 1.00 0.00 C ATOM 1462 C SER A 94 -4.396 8.373 4.711 1.00 0.00 C ATOM 1463 O SER A 94 -5.584 8.621 4.510 1.00 0.00 O ATOM 1464 CB SER A 94 -2.869 9.693 3.217 1.00 0.00 C ATOM 1465 OG SER A 94 -1.880 10.114 4.151 1.00 0.00 O ATOM 0 H SER A 94 -4.072 8.297 1.555 1.00 0.00 H new ATOM 0 HA SER A 94 -2.567 7.668 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.442 9.691 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.691 10.409 3.212 1.00 0.00 H new ATOM 0 HG SER A 94 -1.559 11.007 3.907 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.867 8.153 5.905 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.685 8.191 7.105 1.00 0.00 C ATOM 1473 C LYS A 95 -4.928 9.647 7.506 1.00 0.00 C ATOM 1474 O LYS A 95 -6.074 10.076 7.635 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.052 7.346 8.212 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.118 6.818 9.176 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.835 7.275 10.609 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.104 7.223 11.461 1.00 0.00 C ATOM 1479 NZ LYS A 95 -6.861 8.490 11.343 1.00 0.00 N ATOM 0 H LYS A 95 -2.881 7.948 6.067 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.661 7.745 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.509 6.510 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.325 7.944 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.101 7.171 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.143 5.729 9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.068 6.640 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.440 8.291 10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.729 6.388 11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.842 7.045 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.719 8.437 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.268 9.280 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.128 8.644 10.350 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.831 10.367 7.691 1.00 0.00 N ATOM 1494 CA LYS A 96 -3.911 11.767 8.074 1.00 0.00 C ATOM 1495 C LYS A 96 -4.994 12.458 7.243 1.00 0.00 C ATOM 1496 O LYS A 96 -5.590 13.438 7.686 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.537 12.430 7.967 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.177 13.160 9.263 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.569 14.532 8.969 1.00 0.00 C ATOM 1500 CE LYS A 96 -0.575 14.936 10.060 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.060 16.302 9.812 1.00 0.00 N ATOM 0 H LYS A 96 -2.883 10.008 7.583 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.204 11.860 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.781 11.675 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.533 13.135 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.069 13.278 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.471 12.561 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.065 14.511 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.361 15.278 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.060 14.895 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.253 14.228 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.613 16.561 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.421 16.330 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.852 16.976 9.810 1.00 0.00 H new ATOM 1515 N HIS A 97 -5.216 11.919 6.054 1.00 0.00 N ATOM 1516 CA HIS A 97 -6.218 12.472 5.157 1.00 0.00 C ATOM 1517 C HIS A 97 -7.466 11.587 5.174 1.00 0.00 C ATOM 1518 O HIS A 97 -8.346 11.765 6.015 1.00 0.00 O ATOM 1519 CB HIS A 97 -5.643 12.660 3.752 1.00 0.00 C ATOM 1520 CG HIS A 97 -4.508 13.653 3.680 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -4.601 14.850 2.993 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -3.255 13.614 4.218 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -3.449 15.494 3.117 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -2.616 14.726 3.876 1.00 0.00 N ATOM 0 H HIS A 97 -4.720 11.105 5.690 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.514 13.463 5.501 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.293 11.696 3.382 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.441 12.987 3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.851 12.814 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.212 16.458 2.692 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.660 14.966 4.138 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.503 10.653 4.235 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.628 9.740 4.131 1.00 0.00 C ATOM 1534 C ALA A 98 -9.864 10.512 3.665 1.00 0.00 C ATOM 1535 O ALA A 98 -10.403 10.240 2.594 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.848 9.045 5.477 1.00 0.00 C ATOM 0 H ALA A 98 -6.771 10.509 3.539 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.426 8.964 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.692 8.360 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.952 8.487 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.057 9.792 6.243 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.277 11.460 4.493 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.439 12.274 4.179 1.00 0.00 C ATOM 1544 C GLU A 99 -11.189 13.090 2.910 1.00 0.00 C ATOM 1545 O GLU A 99 -12.119 13.657 2.338 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.805 13.184 5.354 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.843 12.520 6.260 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.565 13.559 7.120 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.912 14.075 8.053 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.753 13.813 6.826 1.00 0.00 O ATOM 0 H GLU A 99 -9.828 11.683 5.381 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.285 11.610 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.910 13.417 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.197 14.129 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.568 11.979 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.355 11.787 6.902 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.927 13.125 2.506 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.542 13.863 1.315 1.00 0.00 C ATOM 1559 C LYS A 100 -9.627 12.939 0.099 1.00 0.00 C ATOM 1560 O LYS A 100 -9.399 13.371 -1.030 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.167 14.506 1.504 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.107 15.299 2.811 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.426 16.653 2.600 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.827 17.175 3.907 1.00 0.00 C ATOM 1565 NZ LYS A 100 -7.815 18.001 4.636 1.00 0.00 N ATOM 0 H LYS A 100 -9.158 12.654 2.983 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.232 14.688 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.398 13.734 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.952 15.166 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.116 15.451 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.563 14.727 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.642 16.556 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.149 17.372 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.514 16.338 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.936 17.766 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.392 18.347 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.094 18.810 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.654 17.426 4.855 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.957 11.685 0.370 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.075 10.696 -0.688 1.00 0.00 C ATOM 1581 C ASN A 101 -8.896 10.845 -1.653 1.00 0.00 C ATOM 1582 O ASN A 101 -9.083 11.189 -2.819 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.366 10.894 -1.485 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.447 11.549 -0.624 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.784 11.086 0.453 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.969 12.650 -1.156 1.00 0.00 N ATOM 0 H ASN A 101 -10.147 11.331 1.308 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.083 9.708 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.167 11.514 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.722 9.931 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.697 13.161 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.641 12.983 -2.062 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.708 10.578 -1.130 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.500 10.677 -1.931 1.00 0.00 C ATOM 1595 C TRP A 102 -5.942 9.266 -2.123 1.00 0.00 C ATOM 1596 O TRP A 102 -5.815 8.508 -1.161 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.494 11.635 -1.288 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.903 13.108 -1.361 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.991 13.634 -1.940 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.181 14.229 -0.809 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.023 15.007 -1.803 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.888 15.380 -1.093 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.972 14.269 -0.093 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.465 16.655 -0.699 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.563 15.551 0.293 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.263 16.719 0.015 1.00 0.00 C ATOM 0 H TRP A 102 -7.557 10.293 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.721 11.100 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.360 11.357 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.527 11.512 -1.777 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.748 13.056 -2.450 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.746 15.633 -2.158 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.404 13.381 0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.036 17.542 -0.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.639 15.638 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.881 17.672 0.349 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.623 8.954 -3.370 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.082 7.647 -3.700 1.00 0.00 C ATOM 1619 C PHE A 103 -3.637 7.759 -4.189 1.00 0.00 C ATOM 1620 O PHE A 103 -3.259 8.761 -4.794 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.946 7.076 -4.827 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.416 6.885 -4.448 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.822 5.728 -3.859 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -8.317 7.872 -4.699 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.186 5.550 -3.507 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.682 7.694 -4.347 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.087 6.537 -3.759 1.00 0.00 C ATOM 0 H PHE A 103 -5.729 9.585 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.090 7.008 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.887 7.741 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.533 6.116 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.106 4.944 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.995 8.791 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.508 4.631 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.398 8.478 -4.547 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.125 6.402 -3.492 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.868 6.717 -3.909 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.473 6.686 -4.313 1.00 0.00 C ATOM 1639 C VAL A 104 -1.389 6.484 -5.827 1.00 0.00 C ATOM 1640 O VAL A 104 -1.400 7.450 -6.588 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.723 5.611 -3.523 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.701 5.434 -4.054 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.716 5.934 -2.028 1.00 0.00 C ATOM 0 H VAL A 104 -3.185 5.888 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.988 7.635 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.250 4.666 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.212 4.665 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.664 5.136 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.243 6.376 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.177 5.154 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.225 6.893 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.741 5.985 -1.662 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.307 5.221 -6.220 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.221 4.879 -7.629 1.00 0.00 C ATOM 1655 C GLY A 105 -0.130 5.695 -8.326 1.00 0.00 C ATOM 1656 O GLY A 105 0.479 6.572 -7.715 1.00 0.00 O ATOM 0 H GLY A 105 -1.298 4.422 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.009 3.815 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.181 5.063 -8.111 1.00 0.00 H new ATOM 1660 N LEU A 106 0.084 5.377 -9.594 1.00 0.00 N ATOM 1661 CA LEU A 106 1.091 6.069 -10.380 1.00 0.00 C ATOM 1662 C LEU A 106 0.538 6.344 -11.780 1.00 0.00 C ATOM 1663 O LEU A 106 -0.008 5.449 -12.422 1.00 0.00 O ATOM 1664 CB LEU A 106 2.404 5.284 -10.380 1.00 0.00 C ATOM 1665 CG LEU A 106 3.075 5.100 -9.018 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.813 3.762 -8.946 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.995 6.280 -8.696 1.00 0.00 C ATOM 0 H LEU A 106 -0.423 4.649 -10.097 1.00 0.00 H new ATOM 0 HA LEU A 106 1.325 7.035 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.215 4.299 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.106 5.789 -11.044 1.00 0.00 H new ATOM 0 HG LEU A 106 2.297 5.080 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.281 3.657 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.105 2.947 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.579 3.727 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.459 6.124 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.769 6.357 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.412 7.201 -8.677 1.00 0.00 H new ATOM 1679 N LYS A 107 0.700 7.586 -12.212 1.00 0.00 N ATOM 1680 CA LYS A 107 0.225 7.990 -13.524 1.00 0.00 C ATOM 1681 C LYS A 107 0.780 7.033 -14.580 1.00 0.00 C ATOM 1682 O LYS A 107 1.429 6.043 -14.245 1.00 0.00 O ATOM 1683 CB LYS A 107 0.563 9.459 -13.787 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.232 10.380 -12.860 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.414 11.765 -13.486 1.00 0.00 C ATOM 1686 CE LYS A 107 0.456 12.805 -12.777 1.00 0.00 C ATOM 1687 NZ LYS A 107 1.621 13.165 -13.616 1.00 0.00 N ATOM 0 H LYS A 107 1.154 8.326 -11.676 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.862 7.923 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.631 9.622 -13.639 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.344 9.706 -14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.207 9.940 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.284 10.474 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.153 11.727 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.462 12.060 -13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.134 13.696 -12.562 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.798 12.411 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.201 13.872 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.192 12.316 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.290 13.561 -14.519 1.00 0.00 H new ATOM 1701 N LYS A 108 0.504 7.361 -15.834 1.00 0.00 N ATOM 1702 CA LYS A 108 0.968 6.542 -16.941 1.00 0.00 C ATOM 1703 C LYS A 108 2.360 7.012 -17.369 1.00 0.00 C ATOM 1704 O LYS A 108 3.018 6.358 -18.176 1.00 0.00 O ATOM 1705 CB LYS A 108 -0.058 6.544 -18.075 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.905 5.270 -18.052 1.00 0.00 C ATOM 1707 CD LYS A 108 -2.233 5.508 -17.330 1.00 0.00 C ATOM 1708 CE LYS A 108 -3.226 6.240 -18.236 1.00 0.00 C ATOM 1709 NZ LYS A 108 -4.251 5.302 -18.745 1.00 0.00 N ATOM 0 H LYS A 108 -0.035 8.183 -16.108 1.00 0.00 H new ATOM 0 HA LYS A 108 1.064 5.501 -16.631 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.705 7.416 -17.983 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.454 6.627 -19.033 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.096 4.937 -19.072 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.354 4.472 -17.554 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.657 4.554 -17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.060 6.093 -16.426 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.706 7.047 -17.682 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.696 6.698 -19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.917 5.814 -19.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.790 4.546 -19.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.768 4.885 -17.945 1.00 0.00 H new ATOM 1723 N ASN A 109 2.766 8.142 -16.810 1.00 0.00 N ATOM 1724 CA ASN A 109 4.067 8.707 -17.124 1.00 0.00 C ATOM 1725 C ASN A 109 5.112 8.136 -16.163 1.00 0.00 C ATOM 1726 O ASN A 109 6.217 8.665 -16.056 1.00 0.00 O ATOM 1727 CB ASN A 109 4.060 10.229 -16.965 1.00 0.00 C ATOM 1728 CG ASN A 109 4.108 10.923 -18.327 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.028 10.301 -19.373 1.00 0.00 O ATOM 1730 ND2 ASN A 109 4.243 12.244 -18.256 1.00 0.00 N ATOM 0 H ASN A 109 2.217 8.682 -16.141 1.00 0.00 H new ATOM 0 HA ASN A 109 4.304 8.454 -18.157 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.164 10.538 -16.427 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.915 10.539 -16.364 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.285 12.799 -19.111 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.304 12.702 -17.347 1.00 0.00 H new ATOM 1737 N GLY A 110 4.725 7.063 -15.489 1.00 0.00 N ATOM 1738 CA GLY A 110 5.614 6.414 -14.540 1.00 0.00 C ATOM 1739 C GLY A 110 5.875 7.313 -13.330 1.00 0.00 C ATOM 1740 O GLY A 110 6.907 7.191 -12.672 1.00 0.00 O ATOM 0 H GLY A 110 3.808 6.627 -15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.175 5.473 -14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.558 6.172 -15.028 1.00 0.00 H new ATOM 1744 N SER A 111 4.921 8.196 -13.073 1.00 0.00 N ATOM 1745 CA SER A 111 5.034 9.115 -11.953 1.00 0.00 C ATOM 1746 C SER A 111 3.877 8.895 -10.976 1.00 0.00 C ATOM 1747 O SER A 111 2.903 8.219 -11.304 1.00 0.00 O ATOM 1748 CB SER A 111 5.055 10.568 -12.432 1.00 0.00 C ATOM 1749 OG SER A 111 6.357 11.140 -12.345 1.00 0.00 O ATOM 0 H SER A 111 4.066 8.294 -13.621 1.00 0.00 H new ATOM 0 HA SER A 111 5.976 8.916 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.707 10.615 -13.464 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.360 11.157 -11.834 1.00 0.00 H new ATOM 0 HG SER A 111 6.329 12.067 -12.661 1.00 0.00 H new ATOM 1755 N CYS A 112 4.022 9.478 -9.795 1.00 0.00 N ATOM 1756 CA CYS A 112 3.001 9.354 -8.769 1.00 0.00 C ATOM 1757 C CYS A 112 1.815 10.237 -9.162 1.00 0.00 C ATOM 1758 O CYS A 112 1.999 11.380 -9.577 1.00 0.00 O ATOM 1759 CB CYS A 112 3.545 9.712 -7.384 1.00 0.00 C ATOM 1760 SG CYS A 112 4.295 11.381 -7.418 1.00 0.00 S ATOM 0 H CYS A 112 4.831 10.038 -9.526 1.00 0.00 H new ATOM 0 HA CYS A 112 2.673 8.317 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.741 9.681 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.288 8.977 -7.075 1.00 0.00 H new ATOM 0 HG CYS A 112 3.693 12.109 -8.311 1.00 0.00 H new ATOM 1766 N LYS A 113 0.625 9.673 -9.017 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.591 10.395 -9.352 1.00 0.00 C ATOM 1768 C LYS A 113 -1.091 11.144 -8.115 1.00 0.00 C ATOM 1769 O LYS A 113 -1.435 10.527 -7.108 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.627 9.447 -9.957 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.819 10.224 -10.520 1.00 0.00 C ATOM 1772 CD LYS A 113 -3.911 9.273 -11.013 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.139 9.432 -12.517 1.00 0.00 C ATOM 1774 NZ LYS A 113 -3.562 8.284 -13.253 1.00 0.00 N ATOM 0 H LYS A 113 0.477 8.725 -8.672 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.391 11.143 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.166 8.857 -10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.972 8.746 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.225 10.882 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.488 10.860 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.629 8.244 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.840 9.471 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.207 9.504 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.684 10.360 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.168 8.614 -14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.807 7.851 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.305 7.580 -13.436 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.115 12.464 -8.231 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.567 13.303 -7.134 1.00 0.00 C ATOM 1790 C ARG A 114 -2.726 12.632 -6.395 1.00 0.00 C ATOM 1791 O ARG A 114 -3.503 11.890 -6.995 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.020 14.674 -7.641 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.950 15.736 -7.378 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.221 16.112 -8.670 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.774 17.372 -9.215 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.142 18.145 -10.109 1.00 0.00 C ATOM 1797 NH1 ARG A 114 1.067 17.792 -10.564 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -0.720 19.272 -10.548 1.00 0.00 N ATOM 0 H ARG A 114 -0.829 12.973 -9.067 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.727 13.439 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.229 14.620 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.950 14.959 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.412 16.623 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.233 15.362 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.845 16.227 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.326 15.312 -9.403 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.694 17.671 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.507 16.935 -10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.548 18.381 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.641 19.541 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.239 19.860 -11.228 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.807 12.917 -5.104 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.858 12.350 -4.276 1.00 0.00 C ATOM 1814 C GLY A 115 -5.220 12.952 -4.632 1.00 0.00 C ATOM 1815 O GLY A 115 -6.187 12.223 -4.844 1.00 0.00 O ATOM 0 H GLY A 115 -2.162 13.534 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.888 11.269 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.638 12.535 -3.225 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.251 14.310 -4.687 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.478 15.018 -5.012 1.00 0.00 C ATOM 1821 C PRO A 116 -6.789 14.916 -6.507 1.00 0.00 C ATOM 1822 O PRO A 116 -7.748 15.518 -6.988 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.242 16.447 -4.551 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.736 16.597 -4.411 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.125 15.205 -4.441 1.00 0.00 C ATOM 0 HA PRO A 116 -7.352 14.594 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.640 17.161 -5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.743 16.639 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.336 17.207 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.488 17.103 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.373 15.120 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.631 14.969 -3.499 1.00 0.00 H new ATOM 1833 N ARG A 117 -5.961 14.148 -7.200 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.136 13.959 -8.630 1.00 0.00 C ATOM 1835 C ARG A 117 -6.530 12.512 -8.930 1.00 0.00 C ATOM 1836 O ARG A 117 -6.316 12.023 -10.039 1.00 0.00 O ATOM 1837 CB ARG A 117 -4.853 14.299 -9.392 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.613 15.810 -9.415 1.00 0.00 C ATOM 1839 CD ARG A 117 -4.749 16.365 -10.834 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.498 17.824 -10.833 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.406 18.742 -10.477 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -6.631 18.359 -10.092 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.090 20.044 -10.507 1.00 0.00 N ATOM 0 H ARG A 117 -5.167 13.649 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 117 -6.929 14.631 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.005 13.800 -8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -4.921 13.922 -10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.327 16.305 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.618 16.030 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.042 15.867 -11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.748 16.160 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.576 18.151 -11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.872 17.368 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.322 19.058 -9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.158 20.336 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.782 20.743 -10.236 1.00 0.00 H new ATOM 1857 N THR A 118 -7.100 11.866 -7.923 1.00 0.00 N ATOM 1858 CA THR A 118 -7.526 10.485 -8.065 1.00 0.00 C ATOM 1859 C THR A 118 -8.961 10.315 -7.562 1.00 0.00 C ATOM 1860 O THR A 118 -9.413 11.066 -6.698 1.00 0.00 O ATOM 1861 CB THR A 118 -6.516 9.600 -7.332 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.163 10.360 -6.179 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.201 9.454 -8.099 1.00 0.00 C ATOM 0 H THR A 118 -7.277 12.274 -7.005 1.00 0.00 H new ATOM 0 HA THR A 118 -7.544 10.183 -9.112 1.00 0.00 H new ATOM 0 HB THR A 118 -6.950 8.614 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.937 10.881 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.520 8.817 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.396 9.005 -9.073 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.749 10.436 -8.236 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.638 9.324 -8.123 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.012 9.046 -7.742 1.00 0.00 C ATOM 1873 C HIS A 119 -11.314 7.561 -7.953 1.00 0.00 C ATOM 1874 O HIS A 119 -10.407 6.770 -8.208 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.981 9.961 -8.494 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.624 11.019 -7.630 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.566 10.724 -6.660 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.449 12.372 -7.599 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.936 11.856 -6.079 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.243 12.876 -6.663 1.00 0.00 N ATOM 0 H HIS A 119 -9.260 8.703 -8.839 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.149 9.261 -6.682 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.446 10.448 -9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.763 9.351 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.778 12.937 -8.229 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.659 11.954 -5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.322 13.863 -6.420 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.591 7.227 -7.841 1.00 0.00 N ATOM 1889 CA TYR A 120 -13.023 5.851 -8.017 1.00 0.00 C ATOM 1890 C TYR A 120 -13.397 5.576 -9.475 1.00 0.00 C ATOM 1891 O TYR A 120 -14.257 6.252 -10.037 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.268 5.686 -7.143 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.828 4.262 -7.122 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.998 3.198 -6.830 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -16.163 4.041 -7.395 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -14.525 1.858 -6.810 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.690 2.701 -7.375 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.845 1.676 -7.083 1.00 0.00 C ATOM 1899 OH TYR A 120 -16.343 0.410 -7.064 1.00 0.00 O ATOM 0 H TYR A 120 -13.341 7.886 -7.630 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.226 5.160 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.026 5.986 -6.123 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.043 6.365 -7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.953 3.371 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.812 4.873 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.887 1.017 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.732 2.514 -7.587 1.00 0.00 H new ATOM 0 HH TYR A 120 -17.299 0.432 -7.276 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.732 4.583 -10.045 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.983 4.210 -11.427 1.00 0.00 C ATOM 1911 C GLY A 121 -11.682 4.172 -12.230 1.00 0.00 C ATOM 1912 O GLY A 121 -11.674 3.754 -13.387 1.00 0.00 O ATOM 0 H GLY A 121 -12.019 4.025 -9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.465 3.233 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.673 4.922 -11.880 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.612 4.614 -11.585 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.308 4.635 -12.225 1.00 0.00 C ATOM 1918 C GLN A 122 -8.562 3.327 -11.955 1.00 0.00 C ATOM 1919 O GLN A 122 -8.859 2.627 -10.988 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.488 5.839 -11.757 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.248 7.146 -11.994 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.333 8.356 -11.799 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.217 8.408 -12.289 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.866 9.324 -11.058 1.00 0.00 N ATOM 0 H GLN A 122 -10.622 4.960 -10.626 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.455 4.731 -13.301 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.257 5.736 -10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.537 5.865 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.658 7.154 -13.004 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.092 7.210 -11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.806 9.216 -10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.334 10.174 -10.870 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.609 3.035 -12.828 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.819 1.823 -12.696 1.00 0.00 C ATOM 1935 C LYS A 123 -5.513 2.147 -11.969 1.00 0.00 C ATOM 1936 O LYS A 123 -4.585 1.339 -11.961 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.615 1.165 -14.063 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.889 -0.175 -13.924 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.352 -1.163 -14.997 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.840 -1.482 -14.843 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.567 -1.178 -16.096 1.00 0.00 N ATOM 0 H LYS A 123 -7.366 3.617 -13.630 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.348 1.088 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.581 1.011 -14.544 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.040 1.829 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.813 -0.020 -14.007 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -6.076 -0.593 -12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.167 -0.744 -15.986 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.770 -2.082 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.968 -2.534 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.260 -0.901 -14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.576 -1.400 -15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.460 -0.169 -16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.177 -1.751 -16.871 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.482 3.331 -11.374 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.305 3.771 -10.645 1.00 0.00 C ATOM 1957 C ALA A 124 -4.437 3.362 -9.177 1.00 0.00 C ATOM 1958 O ALA A 124 -3.565 2.683 -8.637 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.134 5.282 -10.817 1.00 0.00 C ATOM 0 H ALA A 124 -6.253 3.999 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.408 3.294 -11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.251 5.613 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.015 5.517 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.014 5.794 -10.429 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.534 3.793 -8.572 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.791 3.480 -7.177 1.00 0.00 C ATOM 1967 C ILE A 125 -5.584 1.982 -6.948 1.00 0.00 C ATOM 1968 O ILE A 125 -5.182 1.565 -5.863 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.176 3.980 -6.762 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.273 3.048 -7.279 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.394 5.427 -7.211 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.655 3.685 -7.119 1.00 0.00 C ATOM 0 H ILE A 125 -6.255 4.356 -9.023 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.083 4.002 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.231 3.969 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.094 2.818 -8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.239 2.104 -6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.386 5.758 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.640 6.067 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.312 5.488 -8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.416 3.001 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.841 3.892 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.694 4.617 -7.684 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.869 1.212 -7.988 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.720 -0.231 -7.914 1.00 0.00 C ATOM 1986 C LEU A 126 -4.232 -0.587 -7.930 1.00 0.00 C ATOM 1987 O LEU A 126 -3.483 -0.100 -8.775 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.527 -0.911 -9.023 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.933 -0.358 -9.264 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.548 -0.958 -10.530 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.824 -0.570 -8.038 1.00 0.00 C ATOM 0 H LEU A 126 -6.202 1.561 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.129 -0.609 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.964 -0.836 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.611 -1.972 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.854 0.718 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.547 -0.548 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.924 -0.713 -11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.612 -2.041 -10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.817 -0.168 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.900 -1.636 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.390 -0.057 -7.180 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.849 -1.434 -6.986 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.464 -1.861 -6.881 1.00 0.00 C ATOM 2005 C PHE A 127 -2.373 -3.356 -6.567 1.00 0.00 C ATOM 2006 O PHE A 127 -3.264 -3.915 -5.931 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.838 -1.071 -5.730 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.883 0.036 -6.181 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.086 -0.155 -7.267 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.831 1.210 -5.497 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.801 0.872 -7.685 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.056 2.237 -5.915 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.853 2.046 -7.001 1.00 0.00 C ATOM 0 H PHE A 127 -4.474 -1.836 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.948 -1.683 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.634 -0.628 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.298 -1.761 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.128 -1.087 -7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.465 1.361 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.435 0.721 -8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.098 3.169 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.527 2.827 -7.320 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.287 -3.960 -7.029 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.068 -5.379 -6.805 1.00 0.00 C ATOM 2025 C LEU A 128 0.370 -5.600 -6.335 1.00 0.00 C ATOM 2026 O LEU A 128 1.317 -5.346 -7.079 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.438 -6.181 -8.054 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.092 -7.542 -7.808 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.184 -7.441 -6.741 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.619 -8.142 -9.113 1.00 0.00 C ATOM 0 H LEU A 128 -0.550 -3.493 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.722 -5.746 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.115 -5.579 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.534 -6.336 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.331 -8.222 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.633 -8.422 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.748 -7.089 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.951 -6.740 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.079 -9.109 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -3.361 -7.472 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.794 -8.273 -9.813 1.00 0.00 H new ATOM 2042 N PRO A 129 0.494 -6.084 -5.070 1.00 0.00 N ATOM 2043 CA PRO A 129 1.801 -6.343 -4.491 1.00 0.00 C ATOM 2044 C PRO A 129 2.417 -7.616 -5.075 1.00 0.00 C ATOM 2045 O PRO A 129 1.808 -8.683 -5.027 1.00 0.00 O ATOM 2046 CB PRO A 129 1.558 -6.434 -2.994 1.00 0.00 C ATOM 2047 CG PRO A 129 0.068 -6.686 -2.828 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.604 -6.397 -4.160 1.00 0.00 C ATOM 0 HA PRO A 129 2.523 -5.558 -4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.142 -7.241 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.857 -5.513 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.113 -7.717 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.343 -6.047 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.175 -7.257 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.301 -5.563 -4.079 1.00 0.00 H new ATOM 2056 N LEU A 130 3.617 -7.461 -5.615 1.00 0.00 N ATOM 2057 CA LEU A 130 4.322 -8.585 -6.208 1.00 0.00 C ATOM 2058 C LEU A 130 5.346 -9.124 -5.207 1.00 0.00 C ATOM 2059 O LEU A 130 5.974 -8.355 -4.480 1.00 0.00 O ATOM 2060 CB LEU A 130 4.929 -8.187 -7.554 1.00 0.00 C ATOM 2061 CG LEU A 130 3.953 -8.101 -8.730 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.287 -9.453 -8.990 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.927 -6.988 -8.510 1.00 0.00 C ATOM 0 H LEU A 130 4.119 -6.574 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 130 3.629 -9.398 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.415 -7.218 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.708 -8.906 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 130 4.519 -7.844 -9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.599 -9.364 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.050 -10.196 -9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.737 -9.764 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.246 -6.948 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.361 -7.189 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.442 -6.032 -8.413 1.00 0.00 H new ATOM 2075 N PRO A 131 5.488 -10.477 -5.202 1.00 0.00 N ATOM 2076 CA PRO A 131 6.425 -11.128 -4.302 1.00 0.00 C ATOM 2077 C PRO A 131 7.865 -10.945 -4.785 1.00 0.00 C ATOM 2078 O PRO A 131 8.228 -11.418 -5.861 1.00 0.00 O ATOM 2079 CB PRO A 131 5.991 -12.584 -4.268 1.00 0.00 C ATOM 2080 CG PRO A 131 5.123 -12.789 -5.499 1.00 0.00 C ATOM 2081 CD PRO A 131 4.761 -11.419 -6.048 1.00 0.00 C ATOM 0 HA PRO A 131 6.413 -10.699 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.854 -13.249 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.435 -12.805 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.657 -13.372 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.223 -13.347 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.055 -11.321 -7.093 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.686 -11.245 -6.001 1.00 0.00 H new ATOM 2089 N VAL A 132 8.647 -10.257 -3.966 1.00 0.00 N ATOM 2090 CA VAL A 132 10.040 -10.006 -4.296 1.00 0.00 C ATOM 2091 C VAL A 132 10.937 -10.729 -3.289 1.00 0.00 C ATOM 2092 O VAL A 132 12.161 -10.677 -3.394 1.00 0.00 O ATOM 2093 CB VAL A 132 10.300 -8.499 -4.353 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.520 -7.927 -2.952 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.485 -8.182 -5.268 1.00 0.00 C ATOM 0 H VAL A 132 8.343 -9.866 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 132 10.276 -10.402 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 132 9.415 -8.022 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.703 -6.855 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.634 -8.106 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.381 -8.413 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.649 -7.105 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.379 -8.677 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.272 -8.538 -6.276 1.00 0.00 H new