USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1069 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: B 25 ASN : amide:sc= 1.02 K(o=1.8,f=-1.1!) USER MOD Set 1.2: B 28 SER OG : rot 0:sc= 0.72 USER MOD Set 1.3: B 29 LYS NZ :NH3+ -151:sc= 0.104 (180deg=0) USER MOD Set 2.1: B 7 THR OG1 : rot 121:sc= 0.129 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.925 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 59 GLN : amide:sc= -0.0302! C(o=1.1!,f=-3.9!) USER MOD Set 3.3: B 68 HIS : no HE2:sc= 1.15 K(o=1.1,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.1) USER MOD Single : A 12 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.72) USER MOD Single : A 16 MET CE :methyl 154:sc= -0.27 (180deg=-1.06) USER MOD Single : A 19 SER OG : rot 111:sc= 1.25 USER MOD Single : A 20 GLN : amide:sc= 0.135 X(o=0.13,f=-0.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.0163 (180deg=-0.202) USER MOD Single : A 27 SER OG : rot -124:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0239 (180deg=-0.306) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 89:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.11 (180deg=0.922) USER MOD Single : A 44 MET CE :methyl -144:sc= -0.25 (180deg=-0.9) USER MOD Single : A 45 CYS SG : rot -150:sc= -0.812 USER MOD Single : A 46 GLN : amide:sc= -0.0493 K(o=-0.049,f=-2.5!) USER MOD Single : A 50 SER OG : rot 52:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.448 USER MOD Single : B 1 MET CE :methyl -158:sc= 0 (180deg=-0.78) USER MOD Single : B 1 MET N :NH3+ 167:sc= 2.19 (180deg=1.92) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.02) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 85:sc= 1.26 USER MOD Single : B 22 THR OG1 : rot -160:sc= 0.306 USER MOD Single : B 27 LYS NZ :NH3+ 167:sc= 2.13 (180deg=1.99) USER MOD Single : B 31 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.5!) USER MOD Single : B 33 LYS NZ :NH3+ 170:sc=-0.00381 (180deg=-0.0923) USER MOD Single : B 40 GLN : amide:sc= -1.02 K(o=-1,f=-0.28) USER MOD Single : B 41 GLN : amide:sc= -3.99! C(o=-4!,f=-6.3!) USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0183) USER MOD Single : B 49 GLN : amide:sc= -3.13! K(o=-3.1!,f=-0.83) USER MOD Single : B 55 THR OG1 : rot -69:sc= 1.22 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -154:sc= 0.477 USER MOD Single : B 60 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 62 GLN : amide:sc= 0.0381 X(o=0.038,f=-0.39) USER MOD Single : B 63 LYS NZ :NH3+ -159:sc= 1.04 (180deg=0.347) USER MOD Single : B 65 SER OG : rot -140:sc= -0.317 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -20.204 3.719 0.172 1.00 0.00 N ATOM 97 CA LYS A 7 -18.903 3.968 -0.431 1.00 0.00 C ATOM 98 C LYS A 7 -18.368 2.662 -1.008 1.00 0.00 C ATOM 99 O LYS A 7 -18.410 1.629 -0.340 1.00 0.00 O ATOM 100 CB LYS A 7 -17.933 4.527 0.610 1.00 0.00 C ATOM 101 CG LYS A 7 -18.394 5.830 1.242 1.00 0.00 C ATOM 102 CD LYS A 7 -17.626 6.119 2.521 1.00 0.00 C ATOM 103 CE LYS A 7 -18.055 7.435 3.152 1.00 0.00 C ATOM 104 NZ LYS A 7 -17.476 8.611 2.448 1.00 0.00 N ATOM 0 HA LYS A 7 -19.005 4.704 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.790 3.784 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.962 4.686 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -18.254 6.649 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -19.461 5.775 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.783 5.307 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.558 6.151 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -19.143 7.505 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.747 7.452 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.454 9.426 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.508 8.388 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -18.060 8.842 1.619 1.00 0.00 H new ATOM 118 N ARG A 8 -17.898 2.692 -2.247 1.00 0.00 N ATOM 119 CA ARG A 8 -17.440 1.477 -2.912 1.00 0.00 C ATOM 120 C ARG A 8 -16.123 1.714 -3.639 1.00 0.00 C ATOM 121 O ARG A 8 -15.810 2.842 -4.032 1.00 0.00 O ATOM 122 CB ARG A 8 -18.499 0.978 -3.900 1.00 0.00 C ATOM 123 CG ARG A 8 -19.839 0.667 -3.251 1.00 0.00 C ATOM 124 CD ARG A 8 -20.845 0.133 -4.254 1.00 0.00 C ATOM 125 NE ARG A 8 -21.124 1.087 -5.325 1.00 0.00 N ATOM 126 CZ ARG A 8 -21.910 0.820 -6.365 1.00 0.00 C ATOM 127 NH1 ARG A 8 -22.496 -0.366 -6.471 1.00 0.00 N ATOM 128 NH2 ARG A 8 -22.115 1.745 -7.293 1.00 0.00 N ATOM 0 H ARG A 8 -17.823 3.539 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.279 0.717 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.646 1.732 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.128 0.081 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.696 -0.065 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.235 1.570 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.467 -0.793 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.773 -0.112 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.692 2.009 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.344 -1.076 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.098 -0.568 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.670 2.659 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.717 1.542 -8.091 1.00 0.00 H new ATOM 142 N GLY A 9 -15.355 0.648 -3.810 1.00 0.00 N ATOM 143 CA GLY A 9 -14.083 0.747 -4.489 1.00 0.00 C ATOM 144 C GLY A 9 -13.665 -0.558 -5.134 1.00 0.00 C ATOM 145 O GLY A 9 -14.331 -1.584 -4.972 1.00 0.00 O ATOM 0 H GLY A 9 -15.594 -0.290 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.142 1.523 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.318 1.058 -3.777 1.00 0.00 H new ATOM 149 N ILE A 10 -12.569 -0.517 -5.879 1.00 0.00 N ATOM 150 CA ILE A 10 -12.032 -1.707 -6.527 1.00 0.00 C ATOM 151 C ILE A 10 -10.554 -1.867 -6.186 1.00 0.00 C ATOM 152 O ILE A 10 -9.777 -0.918 -6.321 1.00 0.00 O ATOM 153 CB ILE A 10 -12.200 -1.645 -8.066 1.00 0.00 C ATOM 154 CG1 ILE A 10 -13.678 -1.453 -8.433 1.00 0.00 C ATOM 155 CG2 ILE A 10 -11.650 -2.911 -8.714 1.00 0.00 C ATOM 156 CD1 ILE A 10 -13.943 -1.411 -9.924 1.00 0.00 C ATOM 0 H ILE A 10 -12.031 0.333 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.593 -2.564 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.635 -0.792 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.259 -2.264 -7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.035 -0.526 -7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.776 -2.851 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.591 -3.010 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.190 -3.778 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.010 -1.273 -10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.392 -0.582 -10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.619 -2.347 -10.378 1.00 0.00 H new ATOM 168 N VAL A 11 -10.173 -3.056 -5.742 1.00 0.00 N ATOM 169 CA VAL A 11 -8.796 -3.318 -5.354 1.00 0.00 C ATOM 170 C VAL A 11 -7.961 -3.748 -6.557 1.00 0.00 C ATOM 171 O VAL A 11 -8.326 -4.671 -7.291 1.00 0.00 O ATOM 172 CB VAL A 11 -8.716 -4.376 -4.228 1.00 0.00 C ATOM 173 CG1 VAL A 11 -9.566 -5.592 -4.557 1.00 0.00 C ATOM 174 CG2 VAL A 11 -7.276 -4.784 -3.970 1.00 0.00 C ATOM 0 H VAL A 11 -10.799 -3.855 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.383 -2.387 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.112 -3.924 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.490 -6.319 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.606 -5.288 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.212 -6.043 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.246 -5.528 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.849 -5.207 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.698 -3.910 -3.671 1.00 0.00 H new ATOM 184 N GLN A 12 -6.844 -3.061 -6.758 1.00 0.00 N ATOM 185 CA GLN A 12 -5.985 -3.313 -7.909 1.00 0.00 C ATOM 186 C GLN A 12 -4.756 -4.126 -7.528 1.00 0.00 C ATOM 187 O GLN A 12 -4.296 -4.968 -8.298 1.00 0.00 O ATOM 188 CB GLN A 12 -5.534 -1.994 -8.524 1.00 0.00 C ATOM 189 CG GLN A 12 -6.674 -1.127 -9.018 1.00 0.00 C ATOM 190 CD GLN A 12 -6.183 0.164 -9.632 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.150 0.702 -9.241 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.920 0.667 -10.601 1.00 0.00 N ATOM 0 H GLN A 12 -6.511 -2.323 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.568 -3.885 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.960 -1.436 -7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.862 -2.203 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.256 -1.680 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.343 -0.901 -8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.771 0.188 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.640 1.535 -11.057 1.00 0.00 H new ATOM 201 N TYR A 13 -4.219 -3.862 -6.348 1.00 0.00 N ATOM 202 CA TYR A 13 -3.003 -4.523 -5.904 1.00 0.00 C ATOM 203 C TYR A 13 -3.310 -5.543 -4.819 1.00 0.00 C ATOM 204 O TYR A 13 -4.094 -5.274 -3.910 1.00 0.00 O ATOM 205 CB TYR A 13 -1.994 -3.501 -5.379 1.00 0.00 C ATOM 206 CG TYR A 13 -1.465 -2.552 -6.431 1.00 0.00 C ATOM 207 CD1 TYR A 13 -0.369 -2.896 -7.210 1.00 0.00 C ATOM 208 CD2 TYR A 13 -2.054 -1.311 -6.641 1.00 0.00 C ATOM 209 CE1 TYR A 13 0.127 -2.031 -8.166 1.00 0.00 C ATOM 210 CE2 TYR A 13 -1.566 -0.442 -7.598 1.00 0.00 C ATOM 211 CZ TYR A 13 -0.474 -0.808 -8.358 1.00 0.00 C ATOM 212 OH TYR A 13 0.025 0.057 -9.305 1.00 0.00 O ATOM 0 H TYR A 13 -4.606 -3.195 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.571 -5.039 -6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.463 -2.920 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.155 -4.033 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.104 -3.856 -7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.908 -1.021 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.983 -2.313 -8.761 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.037 0.518 -7.750 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.513 0.876 -9.316 1.00 0.00 H new ATOM 222 N ASP A 14 -2.694 -6.710 -4.927 1.00 0.00 N ATOM 223 CA ASP A 14 -2.863 -7.760 -3.932 1.00 0.00 C ATOM 224 C ASP A 14 -2.133 -7.391 -2.651 1.00 0.00 C ATOM 225 O ASP A 14 -1.020 -6.861 -2.689 1.00 0.00 O ATOM 226 CB ASP A 14 -2.342 -9.104 -4.454 1.00 0.00 C ATOM 227 CG ASP A 14 -3.116 -9.610 -5.653 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.140 -10.295 -5.462 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.700 -9.327 -6.798 1.00 0.00 O ATOM 0 H ASP A 14 -2.070 -6.955 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.929 -7.859 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.291 -9.001 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.395 -9.844 -3.655 1.00 0.00 H new ATOM 234 N PHE A 15 -2.766 -7.664 -1.526 1.00 0.00 N ATOM 235 CA PHE A 15 -2.183 -7.370 -0.229 1.00 0.00 C ATOM 236 C PHE A 15 -2.497 -8.492 0.749 1.00 0.00 C ATOM 237 O PHE A 15 -3.602 -9.035 0.743 1.00 0.00 O ATOM 238 CB PHE A 15 -2.716 -6.034 0.300 1.00 0.00 C ATOM 239 CG PHE A 15 -2.252 -5.698 1.692 1.00 0.00 C ATOM 240 CD1 PHE A 15 -0.944 -5.307 1.927 1.00 0.00 C ATOM 241 CD2 PHE A 15 -3.129 -5.769 2.762 1.00 0.00 C ATOM 242 CE1 PHE A 15 -0.519 -4.997 3.204 1.00 0.00 C ATOM 243 CE2 PHE A 15 -2.709 -5.461 4.041 1.00 0.00 C ATOM 244 CZ PHE A 15 -1.403 -5.074 4.262 1.00 0.00 C ATOM 0 H PHE A 15 -3.691 -8.092 -1.484 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.101 -7.293 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.407 -5.238 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.806 -6.059 0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.249 -5.244 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.153 -6.069 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.504 -4.695 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.402 -5.523 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.073 -4.832 5.261 1.00 0.00 H new ATOM 254 N MET A 16 -1.521 -8.855 1.566 1.00 0.00 N ATOM 255 CA MET A 16 -1.731 -9.853 2.602 1.00 0.00 C ATOM 256 C MET A 16 -1.573 -9.221 3.975 1.00 0.00 C ATOM 257 O MET A 16 -0.603 -8.505 4.230 1.00 0.00 O ATOM 258 CB MET A 16 -0.765 -11.028 2.441 1.00 0.00 C ATOM 259 CG MET A 16 -0.985 -11.824 1.164 1.00 0.00 C ATOM 260 SD MET A 16 0.004 -13.330 1.095 1.00 0.00 S ATOM 261 CE MET A 16 -0.605 -14.205 2.536 1.00 0.00 C ATOM 0 H MET A 16 -0.576 -8.473 1.532 1.00 0.00 H new ATOM 0 HA MET A 16 -2.746 -10.238 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.258 -10.651 2.453 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.870 -11.694 3.297 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.040 -12.085 1.082 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.744 -11.197 0.305 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.468 -15.277 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.053 -13.882 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.665 -13.989 2.672 1.00 0.00 H new ATOM 271 N ALA A 17 -2.536 -9.482 4.844 1.00 0.00 N ATOM 272 CA ALA A 17 -2.559 -8.891 6.173 1.00 0.00 C ATOM 273 C ALA A 17 -1.365 -9.341 7.005 1.00 0.00 C ATOM 274 O ALA A 17 -1.135 -10.540 7.183 1.00 0.00 O ATOM 275 CB ALA A 17 -3.852 -9.257 6.880 1.00 0.00 C ATOM 0 H ALA A 17 -3.320 -10.106 4.650 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.499 -7.808 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.862 -8.811 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.699 -8.882 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.924 -10.341 6.968 1.00 0.00 H new ATOM 281 N GLU A 18 -0.606 -8.376 7.498 1.00 0.00 N ATOM 282 CA GLU A 18 0.502 -8.662 8.394 1.00 0.00 C ATOM 283 C GLU A 18 0.028 -8.524 9.838 1.00 0.00 C ATOM 284 O GLU A 18 0.389 -9.316 10.709 1.00 0.00 O ATOM 285 CB GLU A 18 1.672 -7.712 8.119 1.00 0.00 C ATOM 286 CG GLU A 18 2.941 -8.071 8.872 1.00 0.00 C ATOM 287 CD GLU A 18 3.491 -9.425 8.470 1.00 0.00 C ATOM 288 OE1 GLU A 18 3.011 -10.449 8.999 1.00 0.00 O ATOM 289 OE2 GLU A 18 4.410 -9.472 7.630 1.00 0.00 O ATOM 0 H GLU A 18 -0.738 -7.386 7.292 1.00 0.00 H new ATOM 0 HA GLU A 18 0.849 -9.681 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.883 -7.710 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.376 -6.698 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.696 -7.307 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.737 -8.068 9.943 1.00 0.00 H new ATOM 296 N SER A 19 -0.793 -7.514 10.074 1.00 0.00 N ATOM 297 CA SER A 19 -1.403 -7.309 11.377 1.00 0.00 C ATOM 298 C SER A 19 -2.852 -7.775 11.334 1.00 0.00 C ATOM 299 O SER A 19 -3.448 -7.856 10.259 1.00 0.00 O ATOM 300 CB SER A 19 -1.334 -5.828 11.759 1.00 0.00 C ATOM 301 OG SER A 19 -0.055 -5.291 11.467 1.00 0.00 O ATOM 0 H SER A 19 -1.054 -6.819 9.375 1.00 0.00 H new ATOM 0 HA SER A 19 -0.862 -7.887 12.127 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.099 -5.272 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.548 -5.712 12.821 1.00 0.00 H new ATOM 0 HG SER A 19 -0.129 -4.655 10.725 1.00 0.00 H new ATOM 307 N GLN A 20 -3.426 -8.071 12.494 1.00 0.00 N ATOM 308 CA GLN A 20 -4.792 -8.579 12.555 1.00 0.00 C ATOM 309 C GLN A 20 -5.796 -7.485 12.183 1.00 0.00 C ATOM 310 O GLN A 20 -6.948 -7.771 11.847 1.00 0.00 O ATOM 311 CB GLN A 20 -5.087 -9.137 13.951 1.00 0.00 C ATOM 312 CG GLN A 20 -6.445 -9.810 14.074 1.00 0.00 C ATOM 313 CD GLN A 20 -6.602 -10.992 13.136 1.00 0.00 C ATOM 314 OE1 GLN A 20 -6.285 -12.128 13.486 1.00 0.00 O ATOM 315 NE2 GLN A 20 -7.097 -10.732 11.937 1.00 0.00 N ATOM 0 H GLN A 20 -2.970 -7.969 13.401 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.894 -9.387 11.831 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.311 -9.856 14.215 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.029 -8.325 14.676 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.587 -10.146 15.101 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.227 -9.080 13.866 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.348 -9.776 11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.228 -11.488 11.264 1.00 0.00 H new ATOM 324 N ASP A 21 -5.349 -6.236 12.238 1.00 0.00 N ATOM 325 CA ASP A 21 -6.184 -5.102 11.853 1.00 0.00 C ATOM 326 C ASP A 21 -6.317 -5.032 10.338 1.00 0.00 C ATOM 327 O ASP A 21 -7.274 -4.466 9.808 1.00 0.00 O ATOM 328 CB ASP A 21 -5.583 -3.785 12.354 1.00 0.00 C ATOM 329 CG ASP A 21 -5.381 -3.751 13.852 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.367 -3.553 14.588 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.228 -3.908 14.301 1.00 0.00 O ATOM 0 H ASP A 21 -4.411 -5.981 12.546 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.165 -5.246 12.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.625 -3.620 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.236 -2.962 12.064 1.00 0.00 H new ATOM 336 N GLU A 22 -5.351 -5.627 9.655 1.00 0.00 N ATOM 337 CA GLU A 22 -5.251 -5.542 8.208 1.00 0.00 C ATOM 338 C GLU A 22 -6.099 -6.616 7.537 1.00 0.00 C ATOM 339 O GLU A 22 -6.490 -7.600 8.170 1.00 0.00 O ATOM 340 CB GLU A 22 -3.783 -5.668 7.800 1.00 0.00 C ATOM 341 CG GLU A 22 -2.930 -4.531 8.338 1.00 0.00 C ATOM 342 CD GLU A 22 -1.441 -4.818 8.302 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.989 -5.622 7.460 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.709 -4.232 9.126 1.00 0.00 O ATOM 0 H GLU A 22 -4.614 -6.183 10.090 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.634 -4.576 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.389 -6.617 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.712 -5.688 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.132 -3.631 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.226 -4.321 9.366 1.00 0.00 H new ATOM 351 N LEU A 23 -6.384 -6.418 6.261 1.00 0.00 N ATOM 352 CA LEU A 23 -7.253 -7.318 5.522 1.00 0.00 C ATOM 353 C LEU A 23 -6.569 -7.817 4.254 1.00 0.00 C ATOM 354 O LEU A 23 -6.146 -7.023 3.414 1.00 0.00 O ATOM 355 CB LEU A 23 -8.555 -6.595 5.170 1.00 0.00 C ATOM 356 CG LEU A 23 -9.609 -7.437 4.450 1.00 0.00 C ATOM 357 CD1 LEU A 23 -10.050 -8.605 5.317 1.00 0.00 C ATOM 358 CD2 LEU A 23 -10.800 -6.570 4.074 1.00 0.00 C ATOM 0 H LEU A 23 -6.024 -5.637 5.713 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.475 -8.183 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.993 -6.207 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.314 -5.736 4.544 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.168 -7.841 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.800 -9.190 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.190 -9.236 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.477 -8.228 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.545 -7.178 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.238 -6.143 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.472 -5.767 3.414 1.00 0.00 H new ATOM 370 N THR A 24 -6.455 -9.132 4.130 1.00 0.00 N ATOM 371 CA THR A 24 -5.890 -9.745 2.936 1.00 0.00 C ATOM 372 C THR A 24 -6.845 -9.585 1.753 1.00 0.00 C ATOM 373 O THR A 24 -7.997 -10.016 1.806 1.00 0.00 O ATOM 374 CB THR A 24 -5.586 -11.239 3.176 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.671 -11.373 4.275 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.987 -11.889 1.937 1.00 0.00 C ATOM 0 H THR A 24 -6.748 -9.798 4.845 1.00 0.00 H new ATOM 0 HA THR A 24 -4.954 -9.237 2.705 1.00 0.00 H new ATOM 0 HB THR A 24 -6.525 -11.743 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.480 -12.322 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.785 -12.941 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.690 -11.808 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.057 -11.385 1.675 1.00 0.00 H new ATOM 384 N ILE A 25 -6.363 -8.956 0.689 1.00 0.00 N ATOM 385 CA ILE A 25 -7.197 -8.655 -0.466 1.00 0.00 C ATOM 386 C ILE A 25 -6.565 -9.162 -1.761 1.00 0.00 C ATOM 387 O ILE A 25 -5.342 -9.155 -1.912 1.00 0.00 O ATOM 388 CB ILE A 25 -7.461 -7.137 -0.585 1.00 0.00 C ATOM 389 CG1 ILE A 25 -6.139 -6.359 -0.553 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.390 -6.671 0.526 1.00 0.00 C ATOM 391 CD1 ILE A 25 -6.306 -4.856 -0.641 1.00 0.00 C ATOM 0 H ILE A 25 -5.396 -8.644 0.602 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.145 -9.171 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.948 -6.942 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.609 -6.602 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.512 -6.694 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.566 -5.600 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.339 -7.203 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.932 -6.876 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.326 -4.379 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.807 -4.600 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.905 -4.507 0.200 1.00 0.00 H new ATOM 403 N LYS A 26 -7.408 -9.622 -2.675 1.00 0.00 N ATOM 404 CA LYS A 26 -6.965 -10.070 -3.991 1.00 0.00 C ATOM 405 C LYS A 26 -7.325 -9.033 -5.047 1.00 0.00 C ATOM 406 O LYS A 26 -8.372 -8.390 -4.960 1.00 0.00 O ATOM 407 CB LYS A 26 -7.607 -11.413 -4.351 1.00 0.00 C ATOM 408 CG LYS A 26 -7.134 -12.578 -3.498 1.00 0.00 C ATOM 409 CD LYS A 26 -5.682 -12.922 -3.785 1.00 0.00 C ATOM 410 CE LYS A 26 -5.202 -14.083 -2.928 1.00 0.00 C ATOM 411 NZ LYS A 26 -5.244 -13.752 -1.481 1.00 0.00 N ATOM 0 H LYS A 26 -8.415 -9.696 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.883 -10.195 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.689 -11.323 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.397 -11.635 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.249 -12.329 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.761 -13.449 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.569 -13.176 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.057 -12.049 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.823 -14.958 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.183 -14.348 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.712 -14.468 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.818 -12.816 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.232 -13.740 -1.156 1.00 0.00 H new ATOM 425 N SER A 27 -6.462 -8.878 -6.035 1.00 0.00 N ATOM 426 CA SER A 27 -6.682 -7.912 -7.098 1.00 0.00 C ATOM 427 C SER A 27 -7.882 -8.301 -7.960 1.00 0.00 C ATOM 428 O SER A 27 -8.084 -9.476 -8.269 1.00 0.00 O ATOM 429 CB SER A 27 -5.424 -7.796 -7.954 1.00 0.00 C ATOM 430 OG SER A 27 -4.899 -9.074 -8.267 1.00 0.00 O ATOM 0 H SER A 27 -5.597 -9.412 -6.124 1.00 0.00 H new ATOM 0 HA SER A 27 -6.900 -6.944 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.655 -7.259 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.673 -7.211 -7.424 1.00 0.00 H new ATOM 0 HG SER A 27 -3.964 -9.123 -7.977 1.00 0.00 H new ATOM 436 N GLY A 28 -8.692 -7.313 -8.322 1.00 0.00 N ATOM 437 CA GLY A 28 -9.821 -7.564 -9.196 1.00 0.00 C ATOM 438 C GLY A 28 -11.118 -7.769 -8.439 1.00 0.00 C ATOM 439 O GLY A 28 -12.168 -7.997 -9.045 1.00 0.00 O ATOM 0 H GLY A 28 -8.587 -6.343 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.936 -6.726 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.616 -8.447 -9.802 1.00 0.00 H new ATOM 443 N ASP A 29 -11.057 -7.696 -7.117 1.00 0.00 N ATOM 444 CA ASP A 29 -12.250 -7.863 -6.298 1.00 0.00 C ATOM 445 C ASP A 29 -12.926 -6.531 -6.028 1.00 0.00 C ATOM 446 O ASP A 29 -12.304 -5.469 -6.117 1.00 0.00 O ATOM 447 CB ASP A 29 -11.935 -8.563 -4.971 1.00 0.00 C ATOM 448 CG ASP A 29 -11.752 -10.056 -5.133 1.00 0.00 C ATOM 449 OD1 ASP A 29 -12.691 -10.722 -5.613 1.00 0.00 O ATOM 450 OD2 ASP A 29 -10.678 -10.574 -4.763 1.00 0.00 O ATOM 0 H ASP A 29 -10.200 -7.523 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.933 -8.495 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.029 -8.133 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.742 -8.374 -4.263 1.00 0.00 H new ATOM 455 N LYS A 30 -14.205 -6.601 -5.703 1.00 0.00 N ATOM 456 CA LYS A 30 -14.984 -5.421 -5.375 1.00 0.00 C ATOM 457 C LYS A 30 -15.048 -5.263 -3.864 1.00 0.00 C ATOM 458 O LYS A 30 -15.253 -6.240 -3.141 1.00 0.00 O ATOM 459 CB LYS A 30 -16.396 -5.548 -5.956 1.00 0.00 C ATOM 460 CG LYS A 30 -16.412 -5.754 -7.462 1.00 0.00 C ATOM 461 CD LYS A 30 -15.980 -4.499 -8.202 1.00 0.00 C ATOM 462 CE LYS A 30 -17.075 -3.446 -8.191 1.00 0.00 C ATOM 463 NZ LYS A 30 -18.251 -3.863 -8.999 1.00 0.00 N ATOM 0 H LYS A 30 -14.731 -7.474 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.509 -4.540 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.904 -6.385 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.963 -4.649 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.749 -6.578 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.415 -6.038 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.079 -4.094 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.725 -4.751 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.388 -3.258 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.681 -2.508 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.823 -3.027 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.926 -4.321 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.828 -4.533 -8.452 1.00 0.00 H new ATOM 477 N VAL A 31 -14.857 -4.047 -3.384 1.00 0.00 N ATOM 478 CA VAL A 31 -14.873 -3.794 -1.954 1.00 0.00 C ATOM 479 C VAL A 31 -15.749 -2.596 -1.619 1.00 0.00 C ATOM 480 O VAL A 31 -15.868 -1.655 -2.404 1.00 0.00 O ATOM 481 CB VAL A 31 -13.449 -3.558 -1.391 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.596 -4.809 -1.524 1.00 0.00 C ATOM 483 CG2 VAL A 31 -12.770 -2.382 -2.080 1.00 0.00 C ATOM 0 H VAL A 31 -14.690 -3.222 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.287 -4.687 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.552 -3.320 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.602 -4.616 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.059 -5.626 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.514 -5.084 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.773 -2.242 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.691 -2.582 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.359 -1.479 -1.923 1.00 0.00 H new ATOM 493 N TYR A 32 -16.391 -2.658 -0.469 1.00 0.00 N ATOM 494 CA TYR A 32 -17.112 -1.517 0.053 1.00 0.00 C ATOM 495 C TYR A 32 -16.177 -0.714 0.937 1.00 0.00 C ATOM 496 O TYR A 32 -15.213 -1.252 1.470 1.00 0.00 O ATOM 497 CB TYR A 32 -18.339 -1.952 0.859 1.00 0.00 C ATOM 498 CG TYR A 32 -19.452 -2.537 0.022 1.00 0.00 C ATOM 499 CD1 TYR A 32 -20.323 -1.712 -0.675 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.633 -3.910 -0.071 1.00 0.00 C ATOM 501 CE1 TYR A 32 -21.344 -2.236 -1.442 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.651 -4.441 -0.837 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.503 -3.602 -1.520 1.00 0.00 C ATOM 504 OH TYR A 32 -22.515 -4.135 -2.285 1.00 0.00 O ATOM 0 H TYR A 32 -16.427 -3.489 0.122 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.462 -0.911 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -18.031 -2.689 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.724 -1.092 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -20.200 -0.641 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -18.968 -4.572 0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -22.014 -1.579 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -20.779 -5.512 -0.901 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.485 -5.113 -2.231 1.00 0.00 H new ATOM 514 N ILE A 33 -16.444 0.562 1.085 1.00 0.00 N ATOM 515 CA ILE A 33 -15.628 1.399 1.941 1.00 0.00 C ATOM 516 C ILE A 33 -16.450 1.904 3.117 1.00 0.00 C ATOM 517 O ILE A 33 -17.486 2.544 2.940 1.00 0.00 O ATOM 518 CB ILE A 33 -15.032 2.599 1.175 1.00 0.00 C ATOM 519 CG1 ILE A 33 -14.293 2.122 -0.082 1.00 0.00 C ATOM 520 CG2 ILE A 33 -14.090 3.379 2.079 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.725 3.248 -0.922 1.00 0.00 C ATOM 0 H ILE A 33 -17.217 1.045 0.627 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.802 0.787 2.303 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.846 3.254 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.481 1.458 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.978 1.535 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.675 4.224 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -14.639 3.745 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.281 2.728 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.218 2.832 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.534 3.900 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.014 3.822 -0.328 1.00 0.00 H new ATOM 533 N LEU A 34 -16.000 1.587 4.318 1.00 0.00 N ATOM 534 CA LEU A 34 -16.662 2.045 5.525 1.00 0.00 C ATOM 535 C LEU A 34 -16.248 3.482 5.806 1.00 0.00 C ATOM 536 O LEU A 34 -17.084 4.381 5.895 1.00 0.00 O ATOM 537 CB LEU A 34 -16.298 1.141 6.711 1.00 0.00 C ATOM 538 CG LEU A 34 -16.508 -0.357 6.475 1.00 0.00 C ATOM 539 CD1 LEU A 34 -16.113 -1.151 7.710 1.00 0.00 C ATOM 540 CD2 LEU A 34 -17.952 -0.646 6.095 1.00 0.00 C ATOM 0 H LEU A 34 -15.174 1.011 4.483 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.742 2.000 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.252 1.309 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.891 1.444 7.574 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.870 -0.665 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.269 -2.214 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.062 -0.972 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.725 -0.837 8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.078 -1.716 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.612 -0.321 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.202 -0.108 5.181 1.00 0.00 H new ATOM 552 N ASP A 35 -14.942 3.690 5.914 1.00 0.00 N ATOM 553 CA ASP A 35 -14.386 5.019 6.111 1.00 0.00 C ATOM 554 C ASP A 35 -13.228 5.254 5.155 1.00 0.00 C ATOM 555 O ASP A 35 -12.266 4.479 5.130 1.00 0.00 O ATOM 556 CB ASP A 35 -13.919 5.220 7.555 1.00 0.00 C ATOM 557 CG ASP A 35 -15.069 5.416 8.518 1.00 0.00 C ATOM 558 OD1 ASP A 35 -15.800 6.421 8.379 1.00 0.00 O ATOM 559 OD2 ASP A 35 -15.258 4.566 9.412 1.00 0.00 O ATOM 0 H ASP A 35 -14.244 2.947 5.868 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.175 5.743 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.333 4.356 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.259 6.086 7.602 1.00 0.00 H new ATOM 564 N ASP A 36 -13.346 6.311 4.360 1.00 0.00 N ATOM 565 CA ASP A 36 -12.318 6.677 3.384 1.00 0.00 C ATOM 566 C ASP A 36 -11.655 7.995 3.775 1.00 0.00 C ATOM 567 O ASP A 36 -10.678 8.423 3.161 1.00 0.00 O ATOM 568 CB ASP A 36 -12.932 6.820 1.987 1.00 0.00 C ATOM 569 CG ASP A 36 -13.855 8.021 1.875 1.00 0.00 C ATOM 570 OD1 ASP A 36 -14.877 8.066 2.593 1.00 0.00 O ATOM 571 OD2 ASP A 36 -13.565 8.928 1.067 1.00 0.00 O ATOM 0 H ASP A 36 -14.151 6.937 4.371 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.569 5.885 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.133 6.910 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.489 5.915 1.744 1.00 0.00 H new ATOM 576 N LYS A 37 -12.201 8.643 4.792 1.00 0.00 N ATOM 577 CA LYS A 37 -11.684 9.930 5.233 1.00 0.00 C ATOM 578 C LYS A 37 -11.451 9.943 6.738 1.00 0.00 C ATOM 579 O LYS A 37 -11.159 10.983 7.323 1.00 0.00 O ATOM 580 CB LYS A 37 -12.636 11.054 4.815 1.00 0.00 C ATOM 581 CG LYS A 37 -14.083 10.833 5.234 1.00 0.00 C ATOM 582 CD LYS A 37 -15.019 11.758 4.472 1.00 0.00 C ATOM 583 CE LYS A 37 -14.955 11.484 2.976 1.00 0.00 C ATOM 584 NZ LYS A 37 -15.776 12.435 2.184 1.00 0.00 N ATOM 0 H LYS A 37 -13.000 8.301 5.326 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.720 10.096 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.284 11.992 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.596 11.165 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.364 9.796 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.186 11.008 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.040 11.621 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.750 12.796 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.918 11.541 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.296 10.467 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.697 12.204 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.771 12.364 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.436 13.405 2.345 1.00 0.00 H new ATOM 598 N LYS A 38 -11.573 8.777 7.359 1.00 0.00 N ATOM 599 CA LYS A 38 -11.249 8.630 8.772 1.00 0.00 C ATOM 600 C LYS A 38 -9.735 8.555 8.916 1.00 0.00 C ATOM 601 O LYS A 38 -9.158 8.955 9.928 1.00 0.00 O ATOM 602 CB LYS A 38 -11.932 7.377 9.340 1.00 0.00 C ATOM 603 CG LYS A 38 -11.817 7.216 10.850 1.00 0.00 C ATOM 604 CD LYS A 38 -10.655 6.314 11.244 1.00 0.00 C ATOM 605 CE LYS A 38 -10.607 6.108 12.749 1.00 0.00 C ATOM 606 NZ LYS A 38 -9.546 5.148 13.152 1.00 0.00 N ATOM 0 H LYS A 38 -11.893 7.920 6.907 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.616 9.486 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.988 7.402 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.502 6.497 8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.687 8.196 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.746 6.801 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.754 5.350 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.718 6.754 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.433 7.066 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.574 5.744 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.551 5.039 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.725 4.226 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.619 5.507 12.846 1.00 0.00 H new ATOM 620 N SER A 39 -9.107 8.053 7.865 1.00 0.00 N ATOM 621 CA SER A 39 -7.664 7.982 7.768 1.00 0.00 C ATOM 622 C SER A 39 -7.253 8.129 6.305 1.00 0.00 C ATOM 623 O SER A 39 -8.025 7.799 5.404 1.00 0.00 O ATOM 624 CB SER A 39 -7.164 6.663 8.362 1.00 0.00 C ATOM 625 OG SER A 39 -8.096 5.620 8.134 1.00 0.00 O ATOM 0 H SER A 39 -9.592 7.681 7.049 1.00 0.00 H new ATOM 0 HA SER A 39 -7.210 8.793 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.203 6.401 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.999 6.781 9.433 1.00 0.00 H new ATOM 0 HG SER A 39 -7.902 5.190 7.275 1.00 0.00 H new ATOM 631 N LYS A 40 -6.057 8.650 6.071 1.00 0.00 N ATOM 632 CA LYS A 40 -5.587 8.913 4.713 1.00 0.00 C ATOM 633 C LYS A 40 -4.656 7.801 4.241 1.00 0.00 C ATOM 634 O LYS A 40 -4.454 7.605 3.044 1.00 0.00 O ATOM 635 CB LYS A 40 -4.840 10.252 4.671 1.00 0.00 C ATOM 636 CG LYS A 40 -3.511 10.206 5.405 1.00 0.00 C ATOM 637 CD LYS A 40 -2.847 11.564 5.499 1.00 0.00 C ATOM 638 CE LYS A 40 -1.448 11.448 6.088 1.00 0.00 C ATOM 639 NZ LYS A 40 -1.441 10.689 7.370 1.00 0.00 N ATOM 0 H LYS A 40 -5.392 8.900 6.803 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.453 8.953 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.667 10.534 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.467 11.027 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.669 9.813 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.842 9.514 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.792 12.015 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.452 12.227 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.793 10.953 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.042 12.445 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.489 10.721 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.122 11.116 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.707 9.700 7.189 1.00 0.00 H new ATOM 653 N ASP A 41 -4.093 7.084 5.201 1.00 0.00 N ATOM 654 CA ASP A 41 -3.062 6.094 4.921 1.00 0.00 C ATOM 655 C ASP A 41 -3.683 4.731 4.644 1.00 0.00 C ATOM 656 O ASP A 41 -3.378 4.077 3.641 1.00 0.00 O ATOM 657 CB ASP A 41 -2.102 6.003 6.112 1.00 0.00 C ATOM 658 CG ASP A 41 -1.527 7.354 6.502 1.00 0.00 C ATOM 659 OD1 ASP A 41 -2.187 8.091 7.269 1.00 0.00 O ATOM 660 OD2 ASP A 41 -0.428 7.697 6.030 1.00 0.00 O ATOM 0 H ASP A 41 -4.334 7.170 6.188 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.511 6.403 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.628 5.576 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.287 5.322 5.866 1.00 0.00 H new ATOM 665 N TRP A 42 -4.560 4.315 5.538 1.00 0.00 N ATOM 666 CA TRP A 42 -5.244 3.039 5.420 1.00 0.00 C ATOM 667 C TRP A 42 -6.742 3.279 5.442 1.00 0.00 C ATOM 668 O TRP A 42 -7.218 4.163 6.153 1.00 0.00 O ATOM 669 CB TRP A 42 -4.861 2.105 6.572 1.00 0.00 C ATOM 670 CG TRP A 42 -3.427 1.660 6.574 1.00 0.00 C ATOM 671 CD1 TRP A 42 -2.318 2.434 6.768 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.950 0.322 6.388 1.00 0.00 C ATOM 673 NE1 TRP A 42 -1.189 1.661 6.724 1.00 0.00 N ATOM 674 CE2 TRP A 42 -1.549 0.360 6.491 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.574 -0.906 6.149 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.761 -0.782 6.362 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.791 -2.037 6.020 1.00 0.00 C ATOM 678 CH2 TRP A 42 -1.398 -1.968 6.128 1.00 0.00 C ATOM 0 H TRP A 42 -4.819 4.851 6.366 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.950 2.567 4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.071 2.610 7.515 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.500 1.223 6.533 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.330 3.501 6.932 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.234 1.999 6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.649 -0.969 6.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.315 -0.732 6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.262 -2.990 5.833 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.814 -2.871 6.024 1.00 0.00 H new ATOM 689 N TRP A 43 -7.484 2.507 4.668 1.00 0.00 N ATOM 690 CA TRP A 43 -8.930 2.671 4.614 1.00 0.00 C ATOM 691 C TRP A 43 -9.647 1.467 5.190 1.00 0.00 C ATOM 692 O TRP A 43 -9.077 0.376 5.293 1.00 0.00 O ATOM 693 CB TRP A 43 -9.402 2.917 3.183 1.00 0.00 C ATOM 694 CG TRP A 43 -9.058 4.280 2.674 1.00 0.00 C ATOM 695 CD1 TRP A 43 -8.663 5.353 3.416 1.00 0.00 C ATOM 696 CD2 TRP A 43 -9.098 4.723 1.316 1.00 0.00 C ATOM 697 NE1 TRP A 43 -8.438 6.431 2.604 1.00 0.00 N ATOM 698 CE2 TRP A 43 -8.702 6.073 1.307 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.426 4.107 0.105 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -8.630 6.819 0.134 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.352 4.846 -1.058 1.00 0.00 C ATOM 702 CH2 TRP A 43 -8.957 6.190 -1.037 1.00 0.00 C ATOM 0 H TRP A 43 -7.115 1.766 4.072 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.176 3.542 5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.957 2.169 2.527 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.482 2.781 3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.545 5.352 4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.125 7.351 2.913 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.732 3.071 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.327 7.856 0.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.603 4.381 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.909 6.741 -1.964 1.00 0.00 H new ATOM 713 N MET A 44 -10.901 1.678 5.567 1.00 0.00 N ATOM 714 CA MET A 44 -11.731 0.612 6.104 1.00 0.00 C ATOM 715 C MET A 44 -12.520 -0.030 4.972 1.00 0.00 C ATOM 716 O MET A 44 -13.557 0.491 4.562 1.00 0.00 O ATOM 717 CB MET A 44 -12.707 1.158 7.156 1.00 0.00 C ATOM 718 CG MET A 44 -12.062 2.024 8.231 1.00 0.00 C ATOM 719 SD MET A 44 -10.986 1.098 9.345 1.00 0.00 S ATOM 720 CE MET A 44 -12.129 -0.106 10.020 1.00 0.00 C ATOM 0 H MET A 44 -11.366 2.584 5.510 1.00 0.00 H new ATOM 0 HA MET A 44 -11.085 -0.127 6.578 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.476 1.742 6.650 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.209 0.319 7.637 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.484 2.814 7.752 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.844 2.510 8.814 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.885 -0.292 11.066 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.147 0.278 9.947 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.051 -1.037 9.458 1.00 0.00 H new ATOM 730 N CYS A 45 -12.027 -1.137 4.449 1.00 0.00 N ATOM 731 CA CYS A 45 -12.685 -1.782 3.324 1.00 0.00 C ATOM 732 C CYS A 45 -13.421 -3.044 3.748 1.00 0.00 C ATOM 733 O CYS A 45 -12.997 -3.757 4.657 1.00 0.00 O ATOM 734 CB CYS A 45 -11.687 -2.090 2.211 1.00 0.00 C ATOM 735 SG CYS A 45 -11.147 -0.627 1.294 1.00 0.00 S ATOM 0 H CYS A 45 -11.183 -1.605 4.779 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.426 -1.082 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.814 -2.580 2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.138 -2.798 1.516 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.859 -0.963 0.071 1.00 0.00 H new ATOM 741 N GLN A 46 -14.533 -3.291 3.076 1.00 0.00 N ATOM 742 CA GLN A 46 -15.394 -4.426 3.351 1.00 0.00 C ATOM 743 C GLN A 46 -15.531 -5.292 2.099 1.00 0.00 C ATOM 744 O GLN A 46 -16.007 -4.828 1.065 1.00 0.00 O ATOM 745 CB GLN A 46 -16.766 -3.911 3.787 1.00 0.00 C ATOM 746 CG GLN A 46 -17.772 -4.997 4.117 1.00 0.00 C ATOM 747 CD GLN A 46 -19.191 -4.463 4.196 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.416 -3.294 4.527 1.00 0.00 O ATOM 749 NE2 GLN A 46 -20.159 -5.315 3.893 1.00 0.00 N ATOM 0 H GLN A 46 -14.866 -2.700 2.314 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.961 -5.033 4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.639 -3.274 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.174 -3.285 2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.722 -5.778 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -17.506 -5.458 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -19.930 -6.272 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -21.133 -5.014 3.928 1.00 0.00 H new ATOM 758 N LEU A 47 -15.103 -6.540 2.186 1.00 0.00 N ATOM 759 CA LEU A 47 -15.184 -7.454 1.053 1.00 0.00 C ATOM 760 C LEU A 47 -16.633 -7.834 0.777 1.00 0.00 C ATOM 761 O LEU A 47 -17.289 -8.424 1.625 1.00 0.00 O ATOM 762 CB LEU A 47 -14.367 -8.723 1.327 1.00 0.00 C ATOM 763 CG LEU A 47 -12.862 -8.520 1.481 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.191 -9.820 1.902 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.248 -8.002 0.188 1.00 0.00 C ATOM 0 H LEU A 47 -14.695 -6.946 3.028 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.775 -6.947 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.747 -9.189 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.539 -9.427 0.513 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.698 -7.774 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.118 -9.658 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.604 -10.150 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.370 -10.584 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.175 -7.866 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.424 -8.721 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.705 -7.048 -0.075 1.00 0.00 H new ATOM 777 N VAL A 48 -17.132 -7.496 -0.405 1.00 0.00 N ATOM 778 CA VAL A 48 -18.484 -7.881 -0.795 1.00 0.00 C ATOM 779 C VAL A 48 -18.593 -9.395 -0.877 1.00 0.00 C ATOM 780 O VAL A 48 -19.611 -9.989 -0.520 1.00 0.00 O ATOM 781 CB VAL A 48 -18.876 -7.253 -2.151 1.00 0.00 C ATOM 782 CG1 VAL A 48 -17.945 -7.688 -3.271 1.00 0.00 C ATOM 783 CG2 VAL A 48 -20.322 -7.567 -2.509 1.00 0.00 C ATOM 0 H VAL A 48 -16.625 -6.959 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.172 -7.509 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.776 -6.174 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.258 -7.223 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.926 -7.381 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.983 -8.772 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.567 -7.111 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -20.454 -8.647 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -20.982 -7.168 -1.739 1.00 0.00 H new ATOM 793 N ASP A 49 -17.509 -9.989 -1.340 1.00 0.00 N ATOM 794 CA ASP A 49 -17.379 -11.441 -1.466 1.00 0.00 C ATOM 795 C ASP A 49 -17.739 -12.177 -0.171 1.00 0.00 C ATOM 796 O ASP A 49 -18.656 -12.998 -0.150 1.00 0.00 O ATOM 797 CB ASP A 49 -15.949 -11.798 -1.881 1.00 0.00 C ATOM 798 CG ASP A 49 -15.668 -13.286 -1.793 1.00 0.00 C ATOM 799 OD1 ASP A 49 -15.269 -13.753 -0.710 1.00 0.00 O ATOM 800 OD2 ASP A 49 -15.843 -13.993 -2.803 1.00 0.00 O ATOM 0 H ASP A 49 -16.681 -9.477 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.086 -11.764 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.776 -11.460 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.246 -11.261 -1.244 1.00 0.00 H new ATOM 805 N SER A 50 -17.012 -11.890 0.902 1.00 0.00 N ATOM 806 CA SER A 50 -17.201 -12.609 2.157 1.00 0.00 C ATOM 807 C SER A 50 -17.954 -11.777 3.196 1.00 0.00 C ATOM 808 O SER A 50 -18.789 -12.300 3.929 1.00 0.00 O ATOM 809 CB SER A 50 -15.848 -13.040 2.724 1.00 0.00 C ATOM 810 OG SER A 50 -15.206 -13.968 1.864 1.00 0.00 O ATOM 0 H SER A 50 -16.291 -11.169 0.929 1.00 0.00 H new ATOM 0 HA SER A 50 -17.808 -13.487 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.212 -12.165 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.988 -13.488 3.708 1.00 0.00 H new ATOM 0 HG SER A 50 -15.173 -13.603 0.955 1.00 0.00 H new ATOM 816 N GLY A 51 -17.663 -10.488 3.255 1.00 0.00 N ATOM 817 CA GLY A 51 -18.258 -9.640 4.273 1.00 0.00 C ATOM 818 C GLY A 51 -17.220 -9.100 5.233 1.00 0.00 C ATOM 819 O GLY A 51 -17.466 -8.130 5.951 1.00 0.00 O ATOM 0 H GLY A 51 -17.026 -10.011 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.778 -8.810 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.005 -10.208 4.827 1.00 0.00 H new ATOM 823 N LYS A 52 -16.049 -9.726 5.229 1.00 0.00 N ATOM 824 CA LYS A 52 -14.959 -9.338 6.115 1.00 0.00 C ATOM 825 C LYS A 52 -14.499 -7.914 5.832 1.00 0.00 C ATOM 826 O LYS A 52 -14.435 -7.489 4.677 1.00 0.00 O ATOM 827 CB LYS A 52 -13.777 -10.296 5.960 1.00 0.00 C ATOM 828 CG LYS A 52 -14.044 -11.703 6.468 1.00 0.00 C ATOM 829 CD LYS A 52 -12.833 -12.597 6.265 1.00 0.00 C ATOM 830 CE LYS A 52 -13.025 -13.957 6.916 1.00 0.00 C ATOM 831 NZ LYS A 52 -11.841 -14.833 6.719 1.00 0.00 N ATOM 0 H LYS A 52 -15.829 -10.511 4.616 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.333 -9.386 7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.502 -10.348 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.919 -9.886 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.301 -11.668 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.903 -12.125 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.650 -12.726 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.950 -12.114 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.208 -13.827 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.908 -14.439 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.009 -15.752 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.681 -14.977 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.003 -14.384 7.141 1.00 0.00 H new ATOM 845 N SER A 53 -14.187 -7.186 6.893 1.00 0.00 N ATOM 846 CA SER A 53 -13.723 -5.812 6.773 1.00 0.00 C ATOM 847 C SER A 53 -12.388 -5.649 7.494 1.00 0.00 C ATOM 848 O SER A 53 -12.063 -6.435 8.384 1.00 0.00 O ATOM 849 CB SER A 53 -14.768 -4.861 7.359 1.00 0.00 C ATOM 850 OG SER A 53 -16.067 -5.208 6.908 1.00 0.00 O ATOM 0 H SER A 53 -14.247 -7.526 7.853 1.00 0.00 H new ATOM 0 HA SER A 53 -13.580 -5.570 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.733 -4.900 8.448 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.538 -3.836 7.069 1.00 0.00 H new ATOM 0 HG SER A 53 -16.723 -4.591 7.294 1.00 0.00 H new ATOM 856 N GLY A 54 -11.609 -4.651 7.103 1.00 0.00 N ATOM 857 CA GLY A 54 -10.330 -4.431 7.743 1.00 0.00 C ATOM 858 C GLY A 54 -9.570 -3.271 7.137 1.00 0.00 C ATOM 859 O GLY A 54 -10.100 -2.551 6.286 1.00 0.00 O ATOM 0 H GLY A 54 -11.839 -3.993 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.487 -4.243 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.728 -5.336 7.665 1.00 0.00 H new ATOM 863 N LEU A 55 -8.331 -3.092 7.577 1.00 0.00 N ATOM 864 CA LEU A 55 -7.489 -2.011 7.087 1.00 0.00 C ATOM 865 C LEU A 55 -6.723 -2.442 5.847 1.00 0.00 C ATOM 866 O LEU A 55 -6.062 -3.484 5.843 1.00 0.00 O ATOM 867 CB LEU A 55 -6.506 -1.567 8.176 1.00 0.00 C ATOM 868 CG LEU A 55 -7.132 -0.833 9.360 1.00 0.00 C ATOM 869 CD1 LEU A 55 -6.108 -0.627 10.463 1.00 0.00 C ATOM 870 CD2 LEU A 55 -7.697 0.502 8.905 1.00 0.00 C ATOM 0 H LEU A 55 -7.886 -3.686 8.277 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.134 -1.173 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.983 -2.447 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.756 -0.919 7.723 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.944 -1.442 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.573 -0.102 11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.739 -1.595 10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.276 -0.036 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.141 1.018 9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.896 1.113 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.459 0.334 8.144 1.00 0.00 H new ATOM 882 N VAL A 56 -6.827 -1.645 4.794 1.00 0.00 N ATOM 883 CA VAL A 56 -6.074 -1.890 3.573 1.00 0.00 C ATOM 884 C VAL A 56 -5.384 -0.606 3.125 1.00 0.00 C ATOM 885 O VAL A 56 -5.836 0.493 3.460 1.00 0.00 O ATOM 886 CB VAL A 56 -6.973 -2.412 2.428 1.00 0.00 C ATOM 887 CG1 VAL A 56 -7.638 -3.723 2.815 1.00 0.00 C ATOM 888 CG2 VAL A 56 -8.015 -1.377 2.048 1.00 0.00 C ATOM 0 H VAL A 56 -7.427 -0.821 4.761 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.335 -2.659 3.796 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.340 -2.595 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.265 -4.069 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.873 -4.470 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.253 -3.571 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.636 -1.765 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.640 -1.156 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.518 -0.465 1.717 1.00 0.00 H new ATOM 898 N PRO A 57 -4.270 -0.723 2.391 1.00 0.00 N ATOM 899 CA PRO A 57 -3.556 0.439 1.855 1.00 0.00 C ATOM 900 C PRO A 57 -4.437 1.258 0.911 1.00 0.00 C ATOM 901 O PRO A 57 -4.953 0.735 -0.078 1.00 0.00 O ATOM 902 CB PRO A 57 -2.377 -0.179 1.093 1.00 0.00 C ATOM 903 CG PRO A 57 -2.228 -1.550 1.659 1.00 0.00 C ATOM 904 CD PRO A 57 -3.610 -1.989 2.038 1.00 0.00 C ATOM 0 HA PRO A 57 -3.247 1.131 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.574 -0.214 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.468 0.406 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.789 -2.229 0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.568 -1.545 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.115 -2.492 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.597 -2.686 2.876 1.00 0.00 H new ATOM 912 N ALA A 58 -4.589 2.543 1.217 1.00 0.00 N ATOM 913 CA ALA A 58 -5.477 3.430 0.461 1.00 0.00 C ATOM 914 C ALA A 58 -5.135 3.469 -1.029 1.00 0.00 C ATOM 915 O ALA A 58 -6.012 3.621 -1.875 1.00 0.00 O ATOM 916 CB ALA A 58 -5.415 4.832 1.042 1.00 0.00 C ATOM 0 H ALA A 58 -4.105 3.000 1.990 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.488 3.032 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.076 5.489 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.731 4.808 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.393 5.206 0.981 1.00 0.00 H new ATOM 922 N GLN A 59 -3.857 3.313 -1.339 1.00 0.00 N ATOM 923 CA GLN A 59 -3.373 3.436 -2.710 1.00 0.00 C ATOM 924 C GLN A 59 -3.668 2.173 -3.531 1.00 0.00 C ATOM 925 O GLN A 59 -3.460 2.141 -4.743 1.00 0.00 O ATOM 926 CB GLN A 59 -1.869 3.737 -2.681 1.00 0.00 C ATOM 927 CG GLN A 59 -1.226 3.904 -4.047 1.00 0.00 C ATOM 928 CD GLN A 59 0.199 4.409 -3.950 1.00 0.00 C ATOM 929 OE1 GLN A 59 1.050 4.071 -4.768 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.461 5.236 -2.955 1.00 0.00 N ATOM 0 H GLN A 59 -3.130 3.099 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.899 4.256 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.706 4.648 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.361 2.930 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.236 2.948 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.817 4.600 -4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.275 5.491 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.400 5.620 -2.844 1.00 0.00 H new ATOM 939 N PHE A 60 -4.170 1.138 -2.874 1.00 0.00 N ATOM 940 CA PHE A 60 -4.451 -0.124 -3.553 1.00 0.00 C ATOM 941 C PHE A 60 -5.897 -0.174 -4.031 1.00 0.00 C ATOM 942 O PHE A 60 -6.306 -1.121 -4.709 1.00 0.00 O ATOM 943 CB PHE A 60 -4.168 -1.314 -2.626 1.00 0.00 C ATOM 944 CG PHE A 60 -2.706 -1.602 -2.409 1.00 0.00 C ATOM 945 CD1 PHE A 60 -1.733 -0.685 -2.780 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.305 -2.799 -1.837 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.394 -0.955 -2.583 1.00 0.00 C ATOM 948 CE2 PHE A 60 -0.967 -3.074 -1.638 1.00 0.00 C ATOM 949 CZ PHE A 60 -0.009 -2.152 -2.011 1.00 0.00 C ATOM 0 H PHE A 60 -4.391 1.143 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.794 -0.188 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.635 -1.125 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.643 -2.203 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.027 0.252 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.048 -3.525 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.352 -0.231 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.669 -4.011 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.038 -2.366 -1.856 1.00 0.00 H new ATOM 959 N ILE A 61 -6.661 0.856 -3.688 1.00 0.00 N ATOM 960 CA ILE A 61 -8.087 0.879 -3.985 1.00 0.00 C ATOM 961 C ILE A 61 -8.452 2.080 -4.855 1.00 0.00 C ATOM 962 O ILE A 61 -8.016 3.204 -4.594 1.00 0.00 O ATOM 963 CB ILE A 61 -8.929 0.950 -2.688 1.00 0.00 C ATOM 964 CG1 ILE A 61 -8.534 -0.162 -1.706 1.00 0.00 C ATOM 965 CG2 ILE A 61 -10.419 0.869 -3.010 1.00 0.00 C ATOM 966 CD1 ILE A 61 -8.836 -1.559 -2.202 1.00 0.00 C ATOM 0 H ILE A 61 -6.317 1.685 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.309 -0.045 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.725 1.909 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.467 -0.085 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.056 -0.002 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.994 0.920 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.697 1.701 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.631 -0.072 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.527 -2.286 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.906 -1.657 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.292 -1.742 -3.129 1.00 0.00 H new ATOM 978 N GLU A 62 -9.241 1.832 -5.893 1.00 0.00 N ATOM 979 CA GLU A 62 -9.872 2.910 -6.642 1.00 0.00 C ATOM 980 C GLU A 62 -11.280 3.135 -6.117 1.00 0.00 C ATOM 981 O GLU A 62 -12.158 2.290 -6.311 1.00 0.00 O ATOM 982 CB GLU A 62 -9.959 2.605 -8.138 1.00 0.00 C ATOM 983 CG GLU A 62 -8.689 2.883 -8.921 1.00 0.00 C ATOM 984 CD GLU A 62 -8.961 2.969 -10.407 1.00 0.00 C ATOM 985 OE1 GLU A 62 -9.400 1.962 -10.996 1.00 0.00 O ATOM 986 OE2 GLU A 62 -8.772 4.050 -10.992 1.00 0.00 O ATOM 0 H GLU A 62 -9.459 0.896 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.254 3.798 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.225 1.556 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.770 3.194 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.245 3.817 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.962 2.094 -8.728 1.00 0.00 H new ATOM 993 N PRO A 63 -11.519 4.258 -5.437 1.00 0.00 N ATOM 994 CA PRO A 63 -12.840 4.596 -4.942 1.00 0.00 C ATOM 995 C PRO A 63 -13.724 5.095 -6.071 1.00 0.00 C ATOM 996 O PRO A 63 -13.441 6.130 -6.676 1.00 0.00 O ATOM 997 CB PRO A 63 -12.590 5.715 -3.921 1.00 0.00 C ATOM 998 CG PRO A 63 -11.108 5.920 -3.873 1.00 0.00 C ATOM 999 CD PRO A 63 -10.536 5.292 -5.113 1.00 0.00 C ATOM 0 HA PRO A 63 -13.351 3.738 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.099 6.632 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.976 5.439 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.867 6.982 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.684 5.463 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.430 6.016 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.548 4.868 -4.933 1.00 0.00 H new ATOM 1007 N VAL A 64 -14.781 4.361 -6.369 1.00 0.00 N ATOM 1008 CA VAL A 64 -15.663 4.744 -7.456 1.00 0.00 C ATOM 1009 C VAL A 64 -16.669 5.792 -6.976 1.00 0.00 C ATOM 1010 O VAL A 64 -17.820 5.497 -6.645 1.00 0.00 O ATOM 1011 CB VAL A 64 -16.368 3.523 -8.107 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -17.180 2.744 -7.088 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -17.240 3.958 -9.280 1.00 0.00 C ATOM 0 H VAL A 64 -15.047 3.506 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.050 5.189 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.592 2.859 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -17.660 1.896 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.522 2.382 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -17.942 3.393 -6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -17.722 3.084 -9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.001 4.655 -8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -16.621 4.446 -10.032 1.00 0.00 H new ATOM 1152 N MET B 1 20.843 1.575 -8.605 1.00 0.00 N ATOM 1153 CA MET B 1 19.793 1.719 -9.636 1.00 0.00 C ATOM 1154 C MET B 1 18.660 2.564 -9.120 1.00 0.00 C ATOM 1155 O MET B 1 18.659 2.989 -7.967 1.00 0.00 O ATOM 1156 CB MET B 1 19.243 0.364 -10.082 1.00 0.00 C ATOM 1157 CG MET B 1 18.807 -0.538 -8.947 1.00 0.00 C ATOM 1158 SD MET B 1 18.476 -2.227 -9.482 1.00 0.00 S ATOM 1159 CE MET B 1 17.923 -2.958 -7.941 1.00 0.00 C ATOM 0 H1 MET B 1 21.504 0.822 -8.885 1.00 0.00 H new ATOM 0 H2 MET B 1 21.361 2.472 -8.509 1.00 0.00 H new ATOM 0 H3 MET B 1 20.404 1.329 -7.695 1.00 0.00 H new ATOM 0 HA MET B 1 20.255 2.204 -10.496 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.394 0.531 -10.744 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.007 -0.150 -10.666 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.582 -0.550 -8.181 1.00 0.00 H new ATOM 0 HG3 MET B 1 17.910 -0.126 -8.486 1.00 0.00 H new ATOM 0 HE1 MET B 1 18.051 -4.040 -7.985 1.00 0.00 H new ATOM 0 HE2 MET B 1 18.511 -2.556 -7.116 1.00 0.00 H new ATOM 0 HE3 MET B 1 16.870 -2.723 -7.784 1.00 0.00 H new ATOM 1171 N GLN B 2 17.687 2.778 -9.972 1.00 0.00 N ATOM 1172 CA GLN B 2 16.571 3.641 -9.636 1.00 0.00 C ATOM 1173 C GLN B 2 15.274 2.853 -9.522 1.00 0.00 C ATOM 1174 O GLN B 2 14.883 2.132 -10.448 1.00 0.00 O ATOM 1175 CB GLN B 2 16.425 4.754 -10.672 1.00 0.00 C ATOM 1176 CG GLN B 2 17.652 5.644 -10.782 1.00 0.00 C ATOM 1177 CD GLN B 2 17.435 6.827 -11.704 1.00 0.00 C ATOM 1178 OE1 GLN B 2 16.653 6.758 -12.651 1.00 0.00 O ATOM 1179 NE2 GLN B 2 18.129 7.921 -11.433 1.00 0.00 N ATOM 0 H GLN B 2 17.642 2.368 -10.905 1.00 0.00 H new ATOM 0 HA GLN B 2 16.779 4.088 -8.664 1.00 0.00 H new ATOM 0 HB2 GLN B 2 16.220 4.309 -11.646 1.00 0.00 H new ATOM 0 HB3 GLN B 2 15.562 5.368 -10.415 1.00 0.00 H new ATOM 0 HG2 GLN B 2 17.923 6.006 -9.790 1.00 0.00 H new ATOM 0 HG3 GLN B 2 18.493 5.054 -11.147 1.00 0.00 H new ATOM 0 HE21 GLN B 2 18.767 7.936 -10.637 1.00 0.00 H new ATOM 0 HE22 GLN B 2 18.026 8.749 -12.020 1.00 0.00 H new ATOM 1188 N ILE B 3 14.636 2.973 -8.368 1.00 0.00 N ATOM 1189 CA ILE B 3 13.315 2.399 -8.151 1.00 0.00 C ATOM 1190 C ILE B 3 12.316 3.513 -7.866 1.00 0.00 C ATOM 1191 O ILE B 3 12.670 4.535 -7.275 1.00 0.00 O ATOM 1192 CB ILE B 3 13.298 1.381 -6.983 1.00 0.00 C ATOM 1193 CG1 ILE B 3 13.802 2.027 -5.684 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.132 0.156 -7.338 1.00 0.00 C ATOM 1195 CD1 ILE B 3 13.720 1.117 -4.472 1.00 0.00 C ATOM 0 H ILE B 3 15.015 3.467 -7.560 1.00 0.00 H new ATOM 0 HA ILE B 3 13.040 1.862 -9.059 1.00 0.00 H new ATOM 0 HB ILE B 3 12.268 1.063 -6.819 1.00 0.00 H new ATOM 0 HG12 ILE B 3 14.837 2.339 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.221 2.929 -5.489 1.00 0.00 H new ATOM 0 HG21 ILE B 3 14.111 -0.551 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE B 3 13.721 -0.318 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.161 0.460 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.094 1.645 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE B 3 12.683 0.825 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.324 0.226 -4.644 1.00 0.00 H new ATOM 1207 N PHE B 4 11.081 3.323 -8.299 1.00 0.00 N ATOM 1208 CA PHE B 4 10.052 4.335 -8.119 1.00 0.00 C ATOM 1209 C PHE B 4 9.240 4.047 -6.866 1.00 0.00 C ATOM 1210 O PHE B 4 8.393 3.159 -6.864 1.00 0.00 O ATOM 1211 CB PHE B 4 9.131 4.386 -9.339 1.00 0.00 C ATOM 1212 CG PHE B 4 9.843 4.715 -10.618 1.00 0.00 C ATOM 1213 CD1 PHE B 4 10.158 6.026 -10.928 1.00 0.00 C ATOM 1214 CD2 PHE B 4 10.195 3.716 -11.510 1.00 0.00 C ATOM 1215 CE1 PHE B 4 10.812 6.336 -12.104 1.00 0.00 C ATOM 1216 CE2 PHE B 4 10.848 4.020 -12.689 1.00 0.00 C ATOM 1217 CZ PHE B 4 11.158 5.332 -12.987 1.00 0.00 C ATOM 0 H PHE B 4 10.766 2.479 -8.777 1.00 0.00 H new ATOM 0 HA PHE B 4 10.539 5.304 -8.008 1.00 0.00 H new ATOM 0 HB2 PHE B 4 8.633 3.423 -9.448 1.00 0.00 H new ATOM 0 HB3 PHE B 4 8.353 5.129 -9.165 1.00 0.00 H new ATOM 0 HD1 PHE B 4 9.889 6.816 -10.242 1.00 0.00 H new ATOM 0 HD2 PHE B 4 9.956 2.688 -11.282 1.00 0.00 H new ATOM 0 HE1 PHE B 4 11.053 7.364 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE B 4 11.116 3.232 -13.377 1.00 0.00 H new ATOM 0 HZ PHE B 4 11.669 5.572 -13.907 1.00 0.00 H new ATOM 1227 N VAL B 5 9.513 4.786 -5.804 1.00 0.00 N ATOM 1228 CA VAL B 5 8.820 4.586 -4.540 1.00 0.00 C ATOM 1229 C VAL B 5 7.631 5.533 -4.421 1.00 0.00 C ATOM 1230 O VAL B 5 7.804 6.738 -4.258 1.00 0.00 O ATOM 1231 CB VAL B 5 9.767 4.802 -3.339 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.054 4.513 -2.027 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.011 3.936 -3.474 1.00 0.00 C ATOM 0 H VAL B 5 10.210 5.531 -5.791 1.00 0.00 H new ATOM 0 HA VAL B 5 8.465 3.556 -4.525 1.00 0.00 H new ATOM 0 HB VAL B 5 10.075 5.848 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.742 4.672 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.199 5.181 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.710 3.479 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL B 5 11.665 4.103 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL B 5 10.721 2.886 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL B 5 11.539 4.198 -4.391 1.00 0.00 H new ATOM 1243 N LYS B 6 6.429 4.984 -4.521 1.00 0.00 N ATOM 1244 CA LYS B 6 5.210 5.769 -4.380 1.00 0.00 C ATOM 1245 C LYS B 6 4.657 5.644 -2.972 1.00 0.00 C ATOM 1246 O LYS B 6 4.188 4.576 -2.580 1.00 0.00 O ATOM 1247 CB LYS B 6 4.145 5.309 -5.375 1.00 0.00 C ATOM 1248 CG LYS B 6 4.485 5.593 -6.824 1.00 0.00 C ATOM 1249 CD LYS B 6 3.394 5.072 -7.745 1.00 0.00 C ATOM 1250 CE LYS B 6 3.639 5.470 -9.191 1.00 0.00 C ATOM 1251 NZ LYS B 6 2.510 5.075 -10.076 1.00 0.00 N ATOM 0 H LYS B 6 6.271 3.992 -4.700 1.00 0.00 H new ATOM 0 HA LYS B 6 5.463 6.810 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS B 6 3.989 4.237 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS B 6 3.202 5.798 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS B 6 4.609 6.666 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS B 6 5.436 5.125 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS B 6 3.343 3.986 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.428 5.459 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS B 6 3.786 6.548 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS B 6 4.558 5.003 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.717 5.365 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.385 4.043 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.637 5.541 -9.754 1.00 0.00 H new ATOM 1265 N THR B 7 4.713 6.725 -2.215 1.00 0.00 N ATOM 1266 CA THR B 7 4.184 6.729 -0.861 1.00 0.00 C ATOM 1267 C THR B 7 2.663 6.828 -0.889 1.00 0.00 C ATOM 1268 O THR B 7 2.079 7.172 -1.919 1.00 0.00 O ATOM 1269 CB THR B 7 4.743 7.908 -0.040 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.268 9.146 -0.581 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.264 7.901 -0.046 1.00 0.00 C ATOM 0 H THR B 7 5.119 7.612 -2.514 1.00 0.00 H new ATOM 0 HA THR B 7 4.490 5.795 -0.390 1.00 0.00 H new ATOM 0 HB THR B 7 4.399 7.801 0.989 1.00 0.00 H new ATOM 0 HG1 THR B 7 3.765 9.632 0.106 1.00 0.00 H new ATOM 0 HG21 THR B 7 6.634 8.742 0.540 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.625 6.969 0.389 1.00 0.00 H new ATOM 0 HG23 THR B 7 6.624 7.986 -1.071 1.00 0.00 H new ATOM 1279 N LEU B 8 2.031 6.535 0.243 1.00 0.00 N ATOM 1280 CA LEU B 8 0.579 6.669 0.395 1.00 0.00 C ATOM 1281 C LEU B 8 0.099 8.045 -0.037 1.00 0.00 C ATOM 1282 O LEU B 8 -0.990 8.196 -0.587 1.00 0.00 O ATOM 1283 CB LEU B 8 0.198 6.480 1.858 1.00 0.00 C ATOM 1284 CG LEU B 8 0.582 5.145 2.473 1.00 0.00 C ATOM 1285 CD1 LEU B 8 0.434 5.225 3.977 1.00 0.00 C ATOM 1286 CD2 LEU B 8 -0.286 4.035 1.905 1.00 0.00 C ATOM 0 H LEU B 8 2.506 6.199 1.081 1.00 0.00 H new ATOM 0 HA LEU B 8 0.112 5.911 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU B 8 0.664 7.275 2.441 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.881 6.606 1.952 1.00 0.00 H new ATOM 0 HG LEU B 8 1.620 4.919 2.231 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.709 4.268 4.421 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.087 6.006 4.366 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.601 5.458 4.229 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.000 3.084 2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.333 4.242 2.128 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -0.148 3.982 0.825 1.00 0.00 H new ATOM 1298 N THR B 9 0.931 9.036 0.220 1.00 0.00 N ATOM 1299 CA THR B 9 0.570 10.422 0.018 1.00 0.00 C ATOM 1300 C THR B 9 0.773 10.860 -1.436 1.00 0.00 C ATOM 1301 O THR B 9 0.549 12.020 -1.785 1.00 0.00 O ATOM 1302 CB THR B 9 1.383 11.304 0.981 1.00 0.00 C ATOM 1303 OG1 THR B 9 2.777 10.969 0.888 1.00 0.00 O ATOM 1304 CG2 THR B 9 0.907 11.089 2.414 1.00 0.00 C ATOM 0 H THR B 9 1.877 8.900 0.575 1.00 0.00 H new ATOM 0 HA THR B 9 -0.493 10.537 0.232 1.00 0.00 H new ATOM 0 HB THR B 9 1.240 12.349 0.707 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.291 11.534 1.502 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.488 11.718 3.089 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.148 11.353 2.491 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.040 10.042 2.688 1.00 0.00 H new ATOM 1312 N GLY B 10 1.195 9.926 -2.282 1.00 0.00 N ATOM 1313 CA GLY B 10 1.296 10.202 -3.701 1.00 0.00 C ATOM 1314 C GLY B 10 2.690 10.601 -4.129 1.00 0.00 C ATOM 1315 O GLY B 10 2.932 10.868 -5.307 1.00 0.00 O ATOM 0 H GLY B 10 1.469 8.982 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY B 10 0.990 9.318 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.600 11.000 -3.960 1.00 0.00 H new ATOM 1319 N LYS B 11 3.612 10.639 -3.183 1.00 0.00 N ATOM 1320 CA LYS B 11 4.984 11.025 -3.475 1.00 0.00 C ATOM 1321 C LYS B 11 5.678 9.930 -4.269 1.00 0.00 C ATOM 1322 O LYS B 11 5.914 8.837 -3.755 1.00 0.00 O ATOM 1323 CB LYS B 11 5.754 11.286 -2.181 1.00 0.00 C ATOM 1324 CG LYS B 11 5.130 12.351 -1.294 1.00 0.00 C ATOM 1325 CD LYS B 11 5.698 12.296 0.117 1.00 0.00 C ATOM 1326 CE LYS B 11 7.199 12.535 0.142 1.00 0.00 C ATOM 1327 NZ LYS B 11 7.548 13.954 -0.121 1.00 0.00 N ATOM 0 H LYS B 11 3.437 10.407 -2.205 1.00 0.00 H new ATOM 0 HA LYS B 11 4.965 11.941 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.825 10.355 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.772 11.586 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.311 13.337 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS B 11 4.050 12.212 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS B 11 5.202 13.044 0.736 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.479 11.323 0.557 1.00 0.00 H new ATOM 0 HE2 LYS B 11 7.596 12.240 1.113 1.00 0.00 H new ATOM 0 HE3 LYS B 11 7.678 11.901 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 8.566 14.097 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.316 14.192 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 7.007 14.569 0.520 1.00 0.00 H new ATOM 1341 N THR B 12 5.983 10.218 -5.524 1.00 0.00 N ATOM 1342 CA THR B 12 6.697 9.279 -6.365 1.00 0.00 C ATOM 1343 C THR B 12 8.185 9.592 -6.323 1.00 0.00 C ATOM 1344 O THR B 12 8.672 10.468 -7.039 1.00 0.00 O ATOM 1345 CB THR B 12 6.186 9.328 -7.813 1.00 0.00 C ATOM 1346 OG1 THR B 12 4.753 9.268 -7.816 1.00 0.00 O ATOM 1347 CG2 THR B 12 6.746 8.168 -8.626 1.00 0.00 C ATOM 0 H THR B 12 5.745 11.098 -5.981 1.00 0.00 H new ATOM 0 HA THR B 12 6.523 8.272 -5.985 1.00 0.00 H new ATOM 0 HB THR B 12 6.520 10.261 -8.267 1.00 0.00 H new ATOM 0 HG1 THR B 12 4.426 9.301 -8.739 1.00 0.00 H new ATOM 0 HG21 THR B 12 6.370 8.225 -9.647 1.00 0.00 H new ATOM 0 HG22 THR B 12 7.835 8.223 -8.637 1.00 0.00 H new ATOM 0 HG23 THR B 12 6.435 7.225 -8.176 1.00 0.00 H new ATOM 1355 N ILE B 13 8.892 8.899 -5.451 1.00 0.00 N ATOM 1356 CA ILE B 13 10.289 9.185 -5.200 1.00 0.00 C ATOM 1357 C ILE B 13 11.190 8.202 -5.933 1.00 0.00 C ATOM 1358 O ILE B 13 11.192 7.007 -5.632 1.00 0.00 O ATOM 1359 CB ILE B 13 10.601 9.121 -3.692 1.00 0.00 C ATOM 1360 CG1 ILE B 13 9.558 9.914 -2.903 1.00 0.00 C ATOM 1361 CG2 ILE B 13 11.997 9.662 -3.420 1.00 0.00 C ATOM 1362 CD1 ILE B 13 9.689 9.767 -1.404 1.00 0.00 C ATOM 0 H ILE B 13 8.516 8.127 -4.900 1.00 0.00 H new ATOM 0 HA ILE B 13 10.483 10.192 -5.568 1.00 0.00 H new ATOM 0 HB ILE B 13 10.563 8.080 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.642 10.969 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.562 9.589 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE B 13 12.205 9.611 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE B 13 12.731 9.065 -3.961 1.00 0.00 H new ATOM 0 HG23 ILE B 13 12.057 10.698 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.916 10.357 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.574 8.718 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.671 10.119 -1.088 1.00 0.00 H new ATOM 1374 N THR B 14 11.931 8.702 -6.908 1.00 0.00 N ATOM 1375 CA THR B 14 12.936 7.901 -7.575 1.00 0.00 C ATOM 1376 C THR B 14 14.150 7.774 -6.661 1.00 0.00 C ATOM 1377 O THR B 14 14.846 8.759 -6.395 1.00 0.00 O ATOM 1378 CB THR B 14 13.352 8.534 -8.916 1.00 0.00 C ATOM 1379 OG1 THR B 14 12.184 8.874 -9.675 1.00 0.00 O ATOM 1380 CG2 THR B 14 14.222 7.580 -9.721 1.00 0.00 C ATOM 0 H THR B 14 11.853 9.659 -7.253 1.00 0.00 H new ATOM 0 HA THR B 14 12.520 6.916 -7.787 1.00 0.00 H new ATOM 0 HB THR B 14 13.929 9.435 -8.705 1.00 0.00 H new ATOM 0 HG1 THR B 14 12.453 9.278 -10.526 1.00 0.00 H new ATOM 0 HG21 THR B 14 14.502 8.051 -10.663 1.00 0.00 H new ATOM 0 HG22 THR B 14 15.121 7.341 -9.153 1.00 0.00 H new ATOM 0 HG23 THR B 14 13.667 6.664 -9.924 1.00 0.00 H new ATOM 1388 N LEU B 15 14.387 6.572 -6.166 1.00 0.00 N ATOM 1389 CA LEU B 15 15.422 6.354 -5.169 1.00 0.00 C ATOM 1390 C LEU B 15 16.607 5.606 -5.769 1.00 0.00 C ATOM 1391 O LEU B 15 16.432 4.594 -6.454 1.00 0.00 O ATOM 1392 CB LEU B 15 14.847 5.568 -3.982 1.00 0.00 C ATOM 1393 CG LEU B 15 15.245 6.073 -2.587 1.00 0.00 C ATOM 1394 CD1 LEU B 15 16.747 5.983 -2.376 1.00 0.00 C ATOM 1395 CD2 LEU B 15 14.764 7.499 -2.377 1.00 0.00 C ATOM 0 H LEU B 15 13.877 5.731 -6.438 1.00 0.00 H new ATOM 0 HA LEU B 15 15.774 7.325 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.760 5.581 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU B 15 15.160 4.528 -4.074 1.00 0.00 H new ATOM 0 HG LEU B 15 14.763 5.430 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU B 15 16.997 6.348 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.067 4.945 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU B 15 17.256 6.591 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU B 15 15.056 7.839 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU B 15 15.212 8.149 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU B 15 13.678 7.534 -2.468 1.00 0.00 H new ATOM 1407 N GLU B 16 17.804 6.124 -5.514 1.00 0.00 N ATOM 1408 CA GLU B 16 19.036 5.462 -5.915 1.00 0.00 C ATOM 1409 C GLU B 16 19.393 4.389 -4.894 1.00 0.00 C ATOM 1410 O GLU B 16 19.834 4.688 -3.782 1.00 0.00 O ATOM 1411 CB GLU B 16 20.177 6.477 -6.039 1.00 0.00 C ATOM 1412 CG GLU B 16 21.532 5.862 -6.373 1.00 0.00 C ATOM 1413 CD GLU B 16 21.553 5.158 -7.715 1.00 0.00 C ATOM 1414 OE1 GLU B 16 21.476 5.846 -8.753 1.00 0.00 O ATOM 1415 OE2 GLU B 16 21.660 3.914 -7.739 1.00 0.00 O ATOM 0 H GLU B 16 17.945 7.009 -5.027 1.00 0.00 H new ATOM 0 HA GLU B 16 18.887 4.997 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.920 7.202 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU B 16 20.262 7.027 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU B 16 22.290 6.645 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.804 5.151 -5.593 1.00 0.00 H new ATOM 1422 N VAL B 17 19.171 3.145 -5.268 1.00 0.00 N ATOM 1423 CA VAL B 17 19.418 2.019 -4.382 1.00 0.00 C ATOM 1424 C VAL B 17 20.188 0.930 -5.114 1.00 0.00 C ATOM 1425 O VAL B 17 19.955 0.687 -6.296 1.00 0.00 O ATOM 1426 CB VAL B 17 18.099 1.431 -3.835 1.00 0.00 C ATOM 1427 CG1 VAL B 17 17.377 2.446 -2.963 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.202 0.966 -4.974 1.00 0.00 C ATOM 0 H VAL B 17 18.817 2.884 -6.188 1.00 0.00 H new ATOM 0 HA VAL B 17 20.008 2.386 -3.543 1.00 0.00 H new ATOM 0 HB VAL B 17 18.343 0.566 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.451 2.010 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL B 17 18.014 2.722 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL B 17 17.148 3.334 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.279 0.555 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.968 1.811 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL B 17 17.716 0.198 -5.552 1.00 0.00 H new ATOM 1438 N GLU B 18 21.108 0.285 -4.426 1.00 0.00 N ATOM 1439 CA GLU B 18 21.903 -0.764 -5.038 1.00 0.00 C ATOM 1440 C GLU B 18 21.232 -2.120 -4.810 1.00 0.00 C ATOM 1441 O GLU B 18 20.478 -2.289 -3.855 1.00 0.00 O ATOM 1442 CB GLU B 18 23.317 -0.761 -4.447 1.00 0.00 C ATOM 1443 CG GLU B 18 24.420 -0.991 -5.471 1.00 0.00 C ATOM 1444 CD GLU B 18 24.244 -2.277 -6.244 1.00 0.00 C ATOM 1445 OE1 GLU B 18 24.598 -3.348 -5.714 1.00 0.00 O ATOM 1446 OE2 GLU B 18 23.718 -2.228 -7.375 1.00 0.00 O ATOM 0 H GLU B 18 21.324 0.467 -3.446 1.00 0.00 H new ATOM 0 HA GLU B 18 21.974 -0.583 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.490 0.194 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU B 18 23.381 -1.534 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU B 18 24.442 -0.154 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU B 18 25.384 -1.008 -4.962 1.00 0.00 H new ATOM 1453 N SER B 19 21.500 -3.082 -5.685 1.00 0.00 N ATOM 1454 CA SER B 19 20.997 -4.439 -5.505 1.00 0.00 C ATOM 1455 C SER B 19 21.612 -5.072 -4.257 1.00 0.00 C ATOM 1456 O SER B 19 21.017 -5.947 -3.624 1.00 0.00 O ATOM 1457 CB SER B 19 21.306 -5.282 -6.746 1.00 0.00 C ATOM 1458 OG SER B 19 22.678 -5.188 -7.107 1.00 0.00 O ATOM 0 H SER B 19 22.062 -2.948 -6.525 1.00 0.00 H new ATOM 0 HA SER B 19 19.916 -4.400 -5.372 1.00 0.00 H new ATOM 0 HB2 SER B 19 21.049 -6.324 -6.554 1.00 0.00 H new ATOM 0 HB3 SER B 19 20.685 -4.949 -7.578 1.00 0.00 H new ATOM 0 HG SER B 19 22.846 -5.737 -7.901 1.00 0.00 H new ATOM 1464 N SER B 20 22.803 -4.599 -3.903 1.00 0.00 N ATOM 1465 CA SER B 20 23.510 -5.079 -2.726 1.00 0.00 C ATOM 1466 C SER B 20 23.055 -4.318 -1.479 1.00 0.00 C ATOM 1467 O SER B 20 23.538 -4.568 -0.374 1.00 0.00 O ATOM 1468 CB SER B 20 25.017 -4.909 -2.928 1.00 0.00 C ATOM 1469 OG SER B 20 25.415 -5.415 -4.195 1.00 0.00 O ATOM 0 H SER B 20 23.301 -3.876 -4.422 1.00 0.00 H new ATOM 0 HA SER B 20 23.283 -6.136 -2.584 1.00 0.00 H new ATOM 0 HB2 SER B 20 25.282 -3.854 -2.853 1.00 0.00 H new ATOM 0 HB3 SER B 20 25.556 -5.431 -2.137 1.00 0.00 H new ATOM 0 HG SER B 20 25.287 -4.724 -4.878 1.00 0.00 H new ATOM 1475 N ASP B 21 22.125 -3.385 -1.665 1.00 0.00 N ATOM 1476 CA ASP B 21 21.579 -2.619 -0.552 1.00 0.00 C ATOM 1477 C ASP B 21 20.534 -3.431 0.189 1.00 0.00 C ATOM 1478 O ASP B 21 19.895 -4.318 -0.384 1.00 0.00 O ATOM 1479 CB ASP B 21 20.940 -1.305 -1.022 1.00 0.00 C ATOM 1480 CG ASP B 21 21.862 -0.110 -0.888 1.00 0.00 C ATOM 1481 OD1 ASP B 21 22.605 -0.040 0.113 1.00 0.00 O ATOM 1482 OD2 ASP B 21 21.834 0.775 -1.768 1.00 0.00 O ATOM 0 H ASP B 21 21.735 -3.142 -2.576 1.00 0.00 H new ATOM 0 HA ASP B 21 22.412 -2.385 0.111 1.00 0.00 H new ATOM 0 HB2 ASP B 21 20.639 -1.408 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP B 21 20.034 -1.123 -0.445 1.00 0.00 H new ATOM 1487 N THR B 22 20.374 -3.137 1.462 1.00 0.00 N ATOM 1488 CA THR B 22 19.326 -3.745 2.255 1.00 0.00 C ATOM 1489 C THR B 22 18.079 -2.877 2.211 1.00 0.00 C ATOM 1490 O THR B 22 18.157 -1.684 1.895 1.00 0.00 O ATOM 1491 CB THR B 22 19.764 -3.910 3.721 1.00 0.00 C ATOM 1492 OG1 THR B 22 20.160 -2.639 4.250 1.00 0.00 O ATOM 1493 CG2 THR B 22 20.915 -4.897 3.840 1.00 0.00 C ATOM 0 H THR B 22 20.960 -2.477 1.973 1.00 0.00 H new ATOM 0 HA THR B 22 19.117 -4.729 1.836 1.00 0.00 H new ATOM 0 HB THR B 22 18.920 -4.299 4.290 1.00 0.00 H new ATOM 0 HG1 THR B 22 20.723 -2.775 5.041 1.00 0.00 H new ATOM 0 HG21 THR B 22 21.204 -4.994 4.886 1.00 0.00 H new ATOM 0 HG22 THR B 22 20.602 -5.869 3.458 1.00 0.00 H new ATOM 0 HG23 THR B 22 21.765 -4.536 3.261 1.00 0.00 H new ATOM 1501 N ILE B 23 16.934 -3.467 2.527 1.00 0.00 N ATOM 1502 CA ILE B 23 15.706 -2.702 2.675 1.00 0.00 C ATOM 1503 C ILE B 23 15.892 -1.697 3.807 1.00 0.00 C ATOM 1504 O ILE B 23 15.323 -0.603 3.798 1.00 0.00 O ATOM 1505 CB ILE B 23 14.493 -3.617 2.978 1.00 0.00 C ATOM 1506 CG1 ILE B 23 14.352 -4.702 1.900 1.00 0.00 C ATOM 1507 CG2 ILE B 23 13.210 -2.799 3.080 1.00 0.00 C ATOM 1508 CD1 ILE B 23 14.134 -4.158 0.503 1.00 0.00 C ATOM 0 H ILE B 23 16.831 -4.469 2.685 1.00 0.00 H new ATOM 0 HA ILE B 23 15.500 -2.188 1.736 1.00 0.00 H new ATOM 0 HB ILE B 23 14.667 -4.103 3.938 1.00 0.00 H new ATOM 0 HG12 ILE B 23 15.250 -5.320 1.902 1.00 0.00 H new ATOM 0 HG13 ILE B 23 13.517 -5.352 2.160 1.00 0.00 H new ATOM 0 HG21 ILE B 23 12.372 -3.462 3.293 1.00 0.00 H new ATOM 0 HG22 ILE B 23 13.307 -2.068 3.883 1.00 0.00 H new ATOM 0 HG23 ILE B 23 13.033 -2.281 2.137 1.00 0.00 H new ATOM 0 HD11 ILE B 23 14.044 -4.986 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE B 23 13.220 -3.564 0.482 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.980 -3.532 0.220 1.00 0.00 H new ATOM 1520 N ASP B 24 16.731 -2.084 4.763 1.00 0.00 N ATOM 1521 CA ASP B 24 17.092 -1.240 5.894 1.00 0.00 C ATOM 1522 C ASP B 24 17.745 0.039 5.408 1.00 0.00 C ATOM 1523 O ASP B 24 17.399 1.136 5.847 1.00 0.00 O ATOM 1524 CB ASP B 24 18.083 -1.967 6.805 1.00 0.00 C ATOM 1525 CG ASP B 24 17.668 -3.383 7.119 1.00 0.00 C ATOM 1526 OD1 ASP B 24 17.599 -4.204 6.179 1.00 0.00 O ATOM 1527 OD2 ASP B 24 17.402 -3.680 8.304 1.00 0.00 O ATOM 0 H ASP B 24 17.182 -2.999 4.773 1.00 0.00 H new ATOM 0 HA ASP B 24 16.180 -1.008 6.445 1.00 0.00 H new ATOM 0 HB2 ASP B 24 19.064 -1.979 6.329 1.00 0.00 H new ATOM 0 HB3 ASP B 24 18.187 -1.410 7.736 1.00 0.00 H new ATOM 1532 N ASN B 25 18.704 -0.112 4.504 1.00 0.00 N ATOM 1533 CA ASN B 25 19.447 1.027 3.993 1.00 0.00 C ATOM 1534 C ASN B 25 18.554 1.888 3.111 1.00 0.00 C ATOM 1535 O ASN B 25 18.659 3.107 3.125 1.00 0.00 O ATOM 1536 CB ASN B 25 20.690 0.583 3.218 1.00 0.00 C ATOM 1537 CG ASN B 25 21.737 1.680 3.144 1.00 0.00 C ATOM 1538 OD1 ASN B 25 21.830 2.524 4.035 1.00 0.00 O ATOM 1539 ND2 ASN B 25 22.545 1.673 2.097 1.00 0.00 N ATOM 0 H ASN B 25 18.984 -1.011 4.112 1.00 0.00 H new ATOM 0 HA ASN B 25 19.780 1.618 4.846 1.00 0.00 H new ATOM 0 HB2 ASN B 25 21.120 -0.297 3.696 1.00 0.00 H new ATOM 0 HB3 ASN B 25 20.402 0.288 2.209 1.00 0.00 H new ATOM 0 HD21 ASN B 25 23.273 2.382 2.010 1.00 0.00 H new ATOM 0 HD22 ASN B 25 22.440 0.959 1.377 1.00 0.00 H new ATOM 1546 N VAL B 26 17.662 1.254 2.354 1.00 0.00 N ATOM 1547 CA VAL B 26 16.691 1.988 1.557 1.00 0.00 C ATOM 1548 C VAL B 26 15.812 2.839 2.470 1.00 0.00 C ATOM 1549 O VAL B 26 15.513 3.998 2.167 1.00 0.00 O ATOM 1550 CB VAL B 26 15.806 1.036 0.718 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.767 1.819 -0.062 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.652 0.207 -0.235 1.00 0.00 C ATOM 0 H VAL B 26 17.594 0.239 2.278 1.00 0.00 H new ATOM 0 HA VAL B 26 17.240 2.630 0.868 1.00 0.00 H new ATOM 0 HB VAL B 26 15.296 0.362 1.406 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.155 1.131 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.132 2.371 0.631 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.266 2.518 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL B 26 16.007 -0.454 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.193 0.869 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL B 26 17.364 -0.389 0.335 1.00 0.00 H new ATOM 1562 N LYS B 27 15.432 2.265 3.605 1.00 0.00 N ATOM 1563 CA LYS B 27 14.627 2.976 4.587 1.00 0.00 C ATOM 1564 C LYS B 27 15.355 4.209 5.115 1.00 0.00 C ATOM 1565 O LYS B 27 14.758 5.275 5.233 1.00 0.00 O ATOM 1566 CB LYS B 27 14.244 2.058 5.752 1.00 0.00 C ATOM 1567 CG LYS B 27 13.213 0.997 5.392 1.00 0.00 C ATOM 1568 CD LYS B 27 12.769 0.211 6.618 1.00 0.00 C ATOM 1569 CE LYS B 27 11.585 -0.689 6.304 1.00 0.00 C ATOM 1570 NZ LYS B 27 10.947 -1.220 7.538 1.00 0.00 N ATOM 0 H LYS B 27 15.669 1.308 3.867 1.00 0.00 H new ATOM 0 HA LYS B 27 13.717 3.302 4.083 1.00 0.00 H new ATOM 0 HB2 LYS B 27 15.143 1.565 6.123 1.00 0.00 H new ATOM 0 HB3 LYS B 27 13.854 2.667 6.568 1.00 0.00 H new ATOM 0 HG2 LYS B 27 12.347 1.472 4.930 1.00 0.00 H new ATOM 0 HG3 LYS B 27 13.634 0.314 4.654 1.00 0.00 H new ATOM 0 HD2 LYS B 27 13.599 -0.393 6.985 1.00 0.00 H new ATOM 0 HD3 LYS B 27 12.500 0.902 7.417 1.00 0.00 H new ATOM 0 HE2 LYS B 27 10.848 -0.131 5.726 1.00 0.00 H new ATOM 0 HE3 LYS B 27 11.916 -1.520 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 10.027 -1.641 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 11.560 -1.945 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.807 -0.445 8.217 1.00 0.00 H new ATOM 1584 N SER B 28 16.642 4.072 5.416 1.00 0.00 N ATOM 1585 CA SER B 28 17.410 5.187 5.956 1.00 0.00 C ATOM 1586 C SER B 28 17.703 6.231 4.879 1.00 0.00 C ATOM 1587 O SER B 28 17.883 7.411 5.185 1.00 0.00 O ATOM 1588 CB SER B 28 18.708 4.693 6.595 1.00 0.00 C ATOM 1589 OG SER B 28 19.477 3.938 5.682 1.00 0.00 O ATOM 0 H SER B 28 17.171 3.208 5.297 1.00 0.00 H new ATOM 0 HA SER B 28 16.806 5.663 6.728 1.00 0.00 H new ATOM 0 HB2 SER B 28 19.290 5.545 6.946 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.476 4.084 7.469 1.00 0.00 H new ATOM 0 HG SER B 28 19.010 3.891 4.821 1.00 0.00 H new ATOM 1595 N LYS B 29 17.751 5.793 3.621 1.00 0.00 N ATOM 1596 CA LYS B 29 17.900 6.713 2.497 1.00 0.00 C ATOM 1597 C LYS B 29 16.702 7.656 2.443 1.00 0.00 C ATOM 1598 O LYS B 29 16.860 8.873 2.364 1.00 0.00 O ATOM 1599 CB LYS B 29 18.017 5.956 1.165 1.00 0.00 C ATOM 1600 CG LYS B 29 19.240 5.056 1.044 1.00 0.00 C ATOM 1601 CD LYS B 29 19.183 4.237 -0.239 1.00 0.00 C ATOM 1602 CE LYS B 29 20.158 3.066 -0.229 1.00 0.00 C ATOM 1603 NZ LYS B 29 21.579 3.494 -0.323 1.00 0.00 N ATOM 0 H LYS B 29 17.689 4.810 3.357 1.00 0.00 H new ATOM 0 HA LYS B 29 18.817 7.283 2.647 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.122 5.349 1.029 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.036 6.682 0.352 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.146 5.662 1.054 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.293 4.389 1.905 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.170 3.861 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.405 4.883 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS B 29 20.017 2.491 0.686 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.928 2.402 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 22.136 2.750 -0.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 21.641 4.372 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 21.956 3.660 0.632 1.00 0.00 H new ATOM 1617 N ILE B 30 15.503 7.083 2.519 1.00 0.00 N ATOM 1618 CA ILE B 30 14.277 7.872 2.484 1.00 0.00 C ATOM 1619 C ILE B 30 14.102 8.653 3.787 1.00 0.00 C ATOM 1620 O ILE B 30 13.616 9.785 3.785 1.00 0.00 O ATOM 1621 CB ILE B 30 13.039 6.981 2.243 1.00 0.00 C ATOM 1622 CG1 ILE B 30 13.255 6.094 1.014 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.796 7.841 2.058 1.00 0.00 C ATOM 1624 CD1 ILE B 30 12.128 5.113 0.758 1.00 0.00 C ATOM 0 H ILE B 30 15.356 6.077 2.605 1.00 0.00 H new ATOM 0 HA ILE B 30 14.364 8.573 1.653 1.00 0.00 H new ATOM 0 HB ILE B 30 12.895 6.343 3.115 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.377 6.729 0.137 1.00 0.00 H new ATOM 0 HG13 ILE B 30 14.185 5.539 1.137 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.931 7.199 1.889 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.633 8.442 2.953 1.00 0.00 H new ATOM 0 HG23 ILE B 30 11.933 8.499 1.200 1.00 0.00 H new ATOM 0 HD11 ILE B 30 12.355 4.521 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE B 30 12.019 4.452 1.617 1.00 0.00 H new ATOM 0 HD13 ILE B 30 11.198 5.660 0.601 1.00 0.00 H new ATOM 1636 N GLN B 31 14.517 8.046 4.896 1.00 0.00 N ATOM 1637 CA GLN B 31 14.468 8.705 6.202 1.00 0.00 C ATOM 1638 C GLN B 31 15.370 9.936 6.198 1.00 0.00 C ATOM 1639 O GLN B 31 15.112 10.912 6.894 1.00 0.00 O ATOM 1640 CB GLN B 31 14.891 7.720 7.302 1.00 0.00 C ATOM 1641 CG GLN B 31 14.489 8.129 8.719 1.00 0.00 C ATOM 1642 CD GLN B 31 15.445 9.118 9.359 1.00 0.00 C ATOM 1643 OE1 GLN B 31 16.639 9.133 9.057 1.00 0.00 O ATOM 1644 NE2 GLN B 31 14.933 9.929 10.271 1.00 0.00 N ATOM 0 H GLN B 31 14.892 7.098 4.918 1.00 0.00 H new ATOM 0 HA GLN B 31 13.447 9.028 6.405 1.00 0.00 H new ATOM 0 HB2 GLN B 31 14.456 6.745 7.083 1.00 0.00 H new ATOM 0 HB3 GLN B 31 15.974 7.601 7.267 1.00 0.00 H new ATOM 0 HG2 GLN B 31 13.491 8.566 8.693 1.00 0.00 H new ATOM 0 HG3 GLN B 31 14.430 7.237 9.343 1.00 0.00 H new ATOM 0 HE21 GLN B 31 13.938 9.885 10.492 1.00 0.00 H new ATOM 0 HE22 GLN B 31 15.533 10.598 10.753 1.00 0.00 H new ATOM 1653 N ASP B 32 16.420 9.886 5.394 1.00 0.00 N ATOM 1654 CA ASP B 32 17.326 11.016 5.243 1.00 0.00 C ATOM 1655 C ASP B 32 16.757 12.046 4.272 1.00 0.00 C ATOM 1656 O ASP B 32 16.655 13.229 4.595 1.00 0.00 O ATOM 1657 CB ASP B 32 18.691 10.533 4.746 1.00 0.00 C ATOM 1658 CG ASP B 32 19.630 11.673 4.417 1.00 0.00 C ATOM 1659 OD1 ASP B 32 20.312 12.177 5.337 1.00 0.00 O ATOM 1660 OD2 ASP B 32 19.711 12.055 3.230 1.00 0.00 O ATOM 0 H ASP B 32 16.668 9.071 4.833 1.00 0.00 H new ATOM 0 HA ASP B 32 17.444 11.489 6.218 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.147 9.900 5.507 1.00 0.00 H new ATOM 0 HB3 ASP B 32 18.552 9.915 3.859 1.00 0.00 H new ATOM 1665 N LYS B 33 16.376 11.580 3.088 1.00 0.00 N ATOM 1666 CA LYS B 33 15.896 12.449 2.027 1.00 0.00 C ATOM 1667 C LYS B 33 14.582 13.138 2.408 1.00 0.00 C ATOM 1668 O LYS B 33 14.479 14.363 2.351 1.00 0.00 O ATOM 1669 CB LYS B 33 15.713 11.621 0.752 1.00 0.00 C ATOM 1670 CG LYS B 33 15.297 12.433 -0.457 1.00 0.00 C ATOM 1671 CD LYS B 33 16.380 13.419 -0.879 1.00 0.00 C ATOM 1672 CE LYS B 33 17.654 12.707 -1.312 1.00 0.00 C ATOM 1673 NZ LYS B 33 17.455 11.893 -2.545 1.00 0.00 N ATOM 0 H LYS B 33 16.392 10.591 2.840 1.00 0.00 H new ATOM 0 HA LYS B 33 16.633 13.234 1.860 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.648 11.108 0.527 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.963 10.852 0.935 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.074 11.762 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS B 33 14.379 12.976 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS B 33 16.011 14.035 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS B 33 16.603 14.091 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.438 13.444 -1.488 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.999 12.061 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 18.377 11.566 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 16.857 11.071 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 16.992 12.474 -3.273 1.00 0.00 H new ATOM 1687 N GLU B 34 13.593 12.349 2.806 1.00 0.00 N ATOM 1688 CA GLU B 34 12.267 12.877 3.104 1.00 0.00 C ATOM 1689 C GLU B 34 12.058 13.027 4.607 1.00 0.00 C ATOM 1690 O GLU B 34 11.473 14.010 5.068 1.00 0.00 O ATOM 1691 CB GLU B 34 11.191 11.959 2.523 1.00 0.00 C ATOM 1692 CG GLU B 34 11.301 11.767 1.019 1.00 0.00 C ATOM 1693 CD GLU B 34 11.217 13.071 0.254 1.00 0.00 C ATOM 1694 OE1 GLU B 34 10.135 13.691 0.243 1.00 0.00 O ATOM 1695 OE2 GLU B 34 12.233 13.488 -0.339 1.00 0.00 O ATOM 0 H GLU B 34 13.683 11.341 2.930 1.00 0.00 H new ATOM 0 HA GLU B 34 12.189 13.863 2.646 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.254 10.986 3.010 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.209 12.370 2.757 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.246 11.276 0.788 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.506 11.102 0.683 1.00 0.00 H new ATOM 1702 N GLY B 35 12.534 12.048 5.365 1.00 0.00 N ATOM 1703 CA GLY B 35 12.397 12.095 6.811 1.00 0.00 C ATOM 1704 C GLY B 35 11.282 11.204 7.322 1.00 0.00 C ATOM 1705 O GLY B 35 10.542 11.583 8.232 1.00 0.00 O ATOM 0 H GLY B 35 13.013 11.222 5.006 1.00 0.00 H new ATOM 0 HA2 GLY B 35 13.338 11.793 7.271 1.00 0.00 H new ATOM 0 HA3 GLY B 35 12.206 13.123 7.121 1.00 0.00 H new ATOM 1709 N ILE B 36 11.160 10.016 6.748 1.00 0.00 N ATOM 1710 CA ILE B 36 10.106 9.090 7.138 1.00 0.00 C ATOM 1711 C ILE B 36 10.690 7.935 7.954 1.00 0.00 C ATOM 1712 O ILE B 36 11.595 7.241 7.493 1.00 0.00 O ATOM 1713 CB ILE B 36 9.360 8.531 5.907 1.00 0.00 C ATOM 1714 CG1 ILE B 36 8.971 9.667 4.956 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.116 7.766 6.346 1.00 0.00 C ATOM 1716 CD1 ILE B 36 8.326 9.190 3.672 1.00 0.00 C ATOM 0 H ILE B 36 11.776 9.671 6.012 1.00 0.00 H new ATOM 0 HA ILE B 36 9.391 9.642 7.748 1.00 0.00 H new ATOM 0 HB ILE B 36 10.026 7.848 5.380 1.00 0.00 H new ATOM 0 HG12 ILE B 36 8.284 10.340 5.469 1.00 0.00 H new ATOM 0 HG13 ILE B 36 9.862 10.246 4.712 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.599 7.377 5.468 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.407 6.938 6.992 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.451 8.435 6.892 1.00 0.00 H new ATOM 0 HD11 ILE B 36 8.078 10.049 3.049 1.00 0.00 H new ATOM 0 HD12 ILE B 36 9.019 8.541 3.136 1.00 0.00 H new ATOM 0 HD13 ILE B 36 7.417 8.636 3.905 1.00 0.00 H new ATOM 1728 N PRO B 37 10.184 7.737 9.187 1.00 0.00 N ATOM 1729 CA PRO B 37 10.660 6.687 10.101 1.00 0.00 C ATOM 1730 C PRO B 37 10.696 5.302 9.450 1.00 0.00 C ATOM 1731 O PRO B 37 9.707 4.846 8.869 1.00 0.00 O ATOM 1732 CB PRO B 37 9.650 6.711 11.258 1.00 0.00 C ATOM 1733 CG PRO B 37 8.525 7.577 10.799 1.00 0.00 C ATOM 1734 CD PRO B 37 9.107 8.527 9.794 1.00 0.00 C ATOM 0 HA PRO B 37 11.687 6.875 10.415 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.299 5.706 11.492 1.00 0.00 H new ATOM 0 HB3 PRO B 37 10.104 7.109 12.165 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.731 6.978 10.353 1.00 0.00 H new ATOM 0 HG3 PRO B 37 8.085 8.119 11.636 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.368 8.838 9.056 1.00 0.00 H new ATOM 0 HD3 PRO B 37 9.487 9.433 10.266 1.00 0.00 H new ATOM 1742 N PRO B 38 11.846 4.614 9.553 1.00 0.00 N ATOM 1743 CA PRO B 38 12.064 3.305 8.922 1.00 0.00 C ATOM 1744 C PRO B 38 11.109 2.226 9.429 1.00 0.00 C ATOM 1745 O PRO B 38 10.696 1.348 8.671 1.00 0.00 O ATOM 1746 CB PRO B 38 13.507 2.950 9.304 1.00 0.00 C ATOM 1747 CG PRO B 38 14.138 4.243 9.688 1.00 0.00 C ATOM 1748 CD PRO B 38 13.039 5.069 10.287 1.00 0.00 C ATOM 0 HA PRO B 38 11.887 3.355 7.848 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.532 2.239 10.130 1.00 0.00 H new ATOM 0 HB3 PRO B 38 14.033 2.488 8.469 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.945 4.087 10.404 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.573 4.740 8.820 1.00 0.00 H new ATOM 0 HD2 PRO B 38 12.943 4.897 11.359 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.215 6.136 10.150 1.00 0.00 H new ATOM 1756 N ASP B 39 10.757 2.294 10.705 1.00 0.00 N ATOM 1757 CA ASP B 39 9.869 1.304 11.307 1.00 0.00 C ATOM 1758 C ASP B 39 8.451 1.479 10.780 1.00 0.00 C ATOM 1759 O ASP B 39 7.678 0.523 10.698 1.00 0.00 O ATOM 1760 CB ASP B 39 9.879 1.430 12.835 1.00 0.00 C ATOM 1761 CG ASP B 39 9.198 2.696 13.322 1.00 0.00 C ATOM 1762 OD1 ASP B 39 9.702 3.799 13.022 1.00 0.00 O ATOM 1763 OD2 ASP B 39 8.159 2.589 14.002 1.00 0.00 O ATOM 0 H ASP B 39 11.071 3.023 11.345 1.00 0.00 H new ATOM 0 HA ASP B 39 10.228 0.311 11.037 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.381 0.564 13.270 1.00 0.00 H new ATOM 0 HB3 ASP B 39 10.909 1.417 13.190 1.00 0.00 H new ATOM 1768 N GLN B 40 8.128 2.707 10.409 1.00 0.00 N ATOM 1769 CA GLN B 40 6.816 3.039 9.882 1.00 0.00 C ATOM 1770 C GLN B 40 6.708 2.627 8.415 1.00 0.00 C ATOM 1771 O GLN B 40 5.655 2.185 7.957 1.00 0.00 O ATOM 1772 CB GLN B 40 6.580 4.541 10.028 1.00 0.00 C ATOM 1773 CG GLN B 40 5.237 5.014 9.502 1.00 0.00 C ATOM 1774 CD GLN B 40 5.080 6.515 9.598 1.00 0.00 C ATOM 1775 OE1 GLN B 40 4.591 7.041 10.597 1.00 0.00 O ATOM 1776 NE2 GLN B 40 5.508 7.216 8.562 1.00 0.00 N ATOM 0 H GLN B 40 8.767 3.500 10.465 1.00 0.00 H new ATOM 0 HA GLN B 40 6.056 2.496 10.444 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.660 4.809 11.081 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.372 5.075 9.502 1.00 0.00 H new ATOM 0 HG2 GLN B 40 5.127 4.705 8.462 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.438 4.531 10.064 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.907 6.739 7.753 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.439 8.234 8.571 1.00 0.00 H new ATOM 1785 N GLN B 41 7.808 2.767 7.688 1.00 0.00 N ATOM 1786 CA GLN B 41 7.835 2.482 6.257 1.00 0.00 C ATOM 1787 C GLN B 41 7.708 0.985 5.965 1.00 0.00 C ATOM 1788 O GLN B 41 8.567 0.190 6.349 1.00 0.00 O ATOM 1789 CB GLN B 41 9.128 3.012 5.637 1.00 0.00 C ATOM 1790 CG GLN B 41 9.241 4.526 5.655 1.00 0.00 C ATOM 1791 CD GLN B 41 10.529 5.029 5.031 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.566 6.107 4.446 1.00 0.00 O ATOM 1793 NE2 GLN B 41 11.597 4.259 5.157 1.00 0.00 N ATOM 0 H GLN B 41 8.702 3.079 8.068 1.00 0.00 H new ATOM 0 HA GLN B 41 6.976 2.985 5.814 1.00 0.00 H new ATOM 0 HB2 GLN B 41 9.977 2.587 6.172 1.00 0.00 H new ATOM 0 HB3 GLN B 41 9.195 2.664 4.606 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.393 4.955 5.121 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.181 4.878 6.685 1.00 0.00 H new ATOM 0 HE21 GLN B 41 11.529 3.369 5.650 1.00 0.00 H new ATOM 0 HE22 GLN B 41 12.489 4.555 4.761 1.00 0.00 H new ATOM 1802 N ARG B 42 6.626 0.612 5.292 1.00 0.00 N ATOM 1803 CA ARG B 42 6.436 -0.756 4.821 1.00 0.00 C ATOM 1804 C ARG B 42 6.347 -0.771 3.297 1.00 0.00 C ATOM 1805 O ARG B 42 5.385 -0.270 2.717 1.00 0.00 O ATOM 1806 CB ARG B 42 5.167 -1.366 5.425 1.00 0.00 C ATOM 1807 CG ARG B 42 5.248 -1.593 6.925 1.00 0.00 C ATOM 1808 CD ARG B 42 3.888 -1.929 7.515 1.00 0.00 C ATOM 1809 NE ARG B 42 3.275 -3.105 6.885 1.00 0.00 N ATOM 1810 CZ ARG B 42 2.106 -3.622 7.267 1.00 0.00 C ATOM 1811 NH1 ARG B 42 1.445 -3.086 8.281 1.00 0.00 N ATOM 1812 NH2 ARG B 42 1.596 -4.677 6.637 1.00 0.00 N ATOM 0 H ARG B 42 5.860 1.244 5.058 1.00 0.00 H new ATOM 0 HA ARG B 42 7.290 -1.354 5.139 1.00 0.00 H new ATOM 0 HB2 ARG B 42 4.323 -0.710 5.212 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.963 -2.317 4.934 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.946 -2.404 7.134 1.00 0.00 H new ATOM 0 HG3 ARG B 42 5.644 -0.700 7.408 1.00 0.00 H new ATOM 0 HD2 ARG B 42 3.994 -2.108 8.585 1.00 0.00 H new ATOM 0 HD3 ARG B 42 3.224 -1.072 7.400 1.00 0.00 H new ATOM 0 HE ARG B 42 3.770 -3.551 6.113 1.00 0.00 H new ATOM 0 HH11 ARG B 42 1.829 -2.278 8.770 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.551 -3.481 8.573 1.00 0.00 H new ATOM 0 HH21 ARG B 42 2.099 -5.097 5.855 1.00 0.00 H new ATOM 0 HH22 ARG B 42 0.702 -5.066 6.936 1.00 0.00 H new ATOM 1826 N LEU B 43 7.357 -1.331 2.653 1.00 0.00 N ATOM 1827 CA LEU B 43 7.415 -1.349 1.198 1.00 0.00 C ATOM 1828 C LEU B 43 6.677 -2.565 0.652 1.00 0.00 C ATOM 1829 O LEU B 43 6.849 -3.677 1.146 1.00 0.00 O ATOM 1830 CB LEU B 43 8.871 -1.359 0.703 1.00 0.00 C ATOM 1831 CG LEU B 43 9.702 -0.105 1.016 1.00 0.00 C ATOM 1832 CD1 LEU B 43 10.138 -0.077 2.479 1.00 0.00 C ATOM 1833 CD2 LEU B 43 10.914 -0.032 0.097 1.00 0.00 C ATOM 0 H LEU B 43 8.149 -1.780 3.113 1.00 0.00 H new ATOM 0 HA LEU B 43 6.932 -0.443 0.833 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.375 -2.222 1.139 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.865 -1.505 -0.377 1.00 0.00 H new ATOM 0 HG LEU B 43 9.073 0.768 0.840 1.00 0.00 H new ATOM 0 HD11 LEU B 43 10.724 0.823 2.667 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.257 -0.077 3.121 1.00 0.00 H new ATOM 0 HD13 LEU B 43 10.745 -0.956 2.695 1.00 0.00 H new ATOM 0 HD21 LEU B 43 11.494 0.861 0.330 1.00 0.00 H new ATOM 0 HD22 LEU B 43 11.535 -0.916 0.243 1.00 0.00 H new ATOM 0 HD23 LEU B 43 10.582 0.011 -0.940 1.00 0.00 H new ATOM 1845 N ILE B 44 5.836 -2.346 -0.345 1.00 0.00 N ATOM 1846 CA ILE B 44 5.125 -3.437 -0.994 1.00 0.00 C ATOM 1847 C ILE B 44 5.415 -3.440 -2.490 1.00 0.00 C ATOM 1848 O ILE B 44 5.170 -2.449 -3.189 1.00 0.00 O ATOM 1849 CB ILE B 44 3.599 -3.347 -0.757 1.00 0.00 C ATOM 1850 CG1 ILE B 44 3.298 -3.349 0.746 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.884 -4.505 -1.446 1.00 0.00 C ATOM 1852 CD1 ILE B 44 1.828 -3.207 1.073 1.00 0.00 C ATOM 0 H ILE B 44 5.628 -1.422 -0.724 1.00 0.00 H new ATOM 0 HA ILE B 44 5.480 -4.368 -0.552 1.00 0.00 H new ATOM 0 HB ILE B 44 3.233 -2.414 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.670 -4.277 1.181 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.846 -2.534 1.218 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.811 -4.427 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE B 44 3.079 -4.467 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.250 -5.450 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.693 -3.217 2.155 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.455 -2.266 0.669 1.00 0.00 H new ATOM 0 HD13 ILE B 44 1.275 -4.036 0.631 1.00 0.00 H new ATOM 1864 N PHE B 45 5.952 -4.551 -2.973 1.00 0.00 N ATOM 1865 CA PHE B 45 6.321 -4.683 -4.373 1.00 0.00 C ATOM 1866 C PHE B 45 5.727 -5.954 -4.967 1.00 0.00 C ATOM 1867 O PHE B 45 6.104 -7.057 -4.578 1.00 0.00 O ATOM 1868 CB PHE B 45 7.849 -4.692 -4.504 1.00 0.00 C ATOM 1869 CG PHE B 45 8.344 -4.946 -5.901 1.00 0.00 C ATOM 1870 CD1 PHE B 45 8.178 -3.995 -6.894 1.00 0.00 C ATOM 1871 CD2 PHE B 45 8.977 -6.138 -6.220 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.634 -4.227 -8.177 1.00 0.00 C ATOM 1873 CE2 PHE B 45 9.435 -6.374 -7.503 1.00 0.00 C ATOM 1874 CZ PHE B 45 9.263 -5.419 -8.481 1.00 0.00 C ATOM 0 H PHE B 45 6.143 -5.380 -2.410 1.00 0.00 H new ATOM 0 HA PHE B 45 5.921 -3.833 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE B 45 8.238 -3.733 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE B 45 8.255 -5.456 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.687 -3.062 -6.663 1.00 0.00 H new ATOM 0 HD2 PHE B 45 9.114 -6.891 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.499 -3.477 -8.942 1.00 0.00 H new ATOM 0 HE2 PHE B 45 9.927 -7.306 -7.738 1.00 0.00 H new ATOM 0 HZ PHE B 45 9.619 -5.602 -9.484 1.00 0.00 H new ATOM 1884 N ALA B 46 4.785 -5.788 -5.896 1.00 0.00 N ATOM 1885 CA ALA B 46 4.162 -6.916 -6.597 1.00 0.00 C ATOM 1886 C ALA B 46 3.505 -7.894 -5.621 1.00 0.00 C ATOM 1887 O ALA B 46 3.573 -9.110 -5.803 1.00 0.00 O ATOM 1888 CB ALA B 46 5.194 -7.634 -7.461 1.00 0.00 C ATOM 0 H ALA B 46 4.433 -4.875 -6.184 1.00 0.00 H new ATOM 0 HA ALA B 46 3.377 -6.517 -7.239 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.719 -8.469 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.601 -6.939 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA B 46 6.000 -8.008 -6.830 1.00 0.00 H new ATOM 1894 N GLY B 47 2.866 -7.351 -4.586 1.00 0.00 N ATOM 1895 CA GLY B 47 2.192 -8.182 -3.602 1.00 0.00 C ATOM 1896 C GLY B 47 3.137 -8.702 -2.536 1.00 0.00 C ATOM 1897 O GLY B 47 2.715 -9.353 -1.580 1.00 0.00 O ATOM 0 H GLY B 47 2.803 -6.348 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.397 -7.606 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.719 -9.025 -4.106 1.00 0.00 H new ATOM 1901 N LYS B 48 4.420 -8.418 -2.703 1.00 0.00 N ATOM 1902 CA LYS B 48 5.425 -8.848 -1.748 1.00 0.00 C ATOM 1903 C LYS B 48 5.675 -7.762 -0.714 1.00 0.00 C ATOM 1904 O LYS B 48 6.175 -6.683 -1.042 1.00 0.00 O ATOM 1905 CB LYS B 48 6.739 -9.197 -2.457 1.00 0.00 C ATOM 1906 CG LYS B 48 6.611 -10.302 -3.491 1.00 0.00 C ATOM 1907 CD LYS B 48 7.953 -10.617 -4.136 1.00 0.00 C ATOM 1908 CE LYS B 48 7.843 -11.770 -5.120 1.00 0.00 C ATOM 1909 NZ LYS B 48 7.041 -11.415 -6.324 1.00 0.00 N ATOM 0 H LYS B 48 4.788 -7.890 -3.494 1.00 0.00 H new ATOM 0 HA LYS B 48 5.050 -9.740 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.126 -8.302 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.474 -9.496 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.213 -11.200 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.898 -10.003 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS B 48 8.326 -9.732 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS B 48 8.680 -10.866 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.842 -12.076 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.387 -12.626 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 7.052 -12.210 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.061 -11.214 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.450 -10.573 -6.778 1.00 0.00 H new ATOM 1923 N GLN B 49 5.300 -8.042 0.525 1.00 0.00 N ATOM 1924 CA GLN B 49 5.602 -7.154 1.637 1.00 0.00 C ATOM 1925 C GLN B 49 7.090 -7.241 1.953 1.00 0.00 C ATOM 1926 O GLN B 49 7.587 -8.295 2.356 1.00 0.00 O ATOM 1927 CB GLN B 49 4.775 -7.515 2.883 1.00 0.00 C ATOM 1928 CG GLN B 49 3.281 -7.220 2.766 1.00 0.00 C ATOM 1929 CD GLN B 49 2.539 -8.160 1.826 1.00 0.00 C ATOM 1930 OE1 GLN B 49 1.548 -7.776 1.206 1.00 0.00 O ATOM 1931 NE2 GLN B 49 3.002 -9.399 1.728 1.00 0.00 N ATOM 0 H GLN B 49 4.783 -8.882 0.786 1.00 0.00 H new ATOM 0 HA GLN B 49 5.341 -6.135 1.351 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.906 -8.576 3.094 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.173 -6.968 3.738 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.830 -7.281 3.756 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.149 -6.195 2.418 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.827 -9.679 2.259 1.00 0.00 H new ATOM 0 HE22 GLN B 49 2.533 -10.072 1.122 1.00 0.00 H new ATOM 1940 N LEU B 50 7.797 -6.142 1.754 1.00 0.00 N ATOM 1941 CA LEU B 50 9.243 -6.133 1.897 1.00 0.00 C ATOM 1942 C LEU B 50 9.663 -5.924 3.349 1.00 0.00 C ATOM 1943 O LEU B 50 9.552 -4.825 3.897 1.00 0.00 O ATOM 1944 CB LEU B 50 9.864 -5.053 1.006 1.00 0.00 C ATOM 1945 CG LEU B 50 9.516 -5.156 -0.481 1.00 0.00 C ATOM 1946 CD1 LEU B 50 10.242 -4.082 -1.271 1.00 0.00 C ATOM 1947 CD2 LEU B 50 9.864 -6.532 -1.020 1.00 0.00 C ATOM 0 H LEU B 50 7.393 -5.243 1.492 1.00 0.00 H new ATOM 0 HA LEU B 50 9.610 -7.109 1.580 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.546 -4.076 1.371 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.948 -5.095 1.113 1.00 0.00 H new ATOM 0 HG LEU B 50 8.442 -5.005 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.984 -4.169 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 50 9.946 -3.099 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU B 50 11.318 -4.206 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.609 -6.583 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU B 50 10.932 -6.712 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU B 50 9.302 -7.290 -0.474 1.00 0.00 H new ATOM 1959 N GLU B 51 10.128 -7.000 3.961 1.00 0.00 N ATOM 1960 CA GLU B 51 10.686 -6.956 5.303 1.00 0.00 C ATOM 1961 C GLU B 51 12.097 -6.384 5.268 1.00 0.00 C ATOM 1962 O GLU B 51 12.868 -6.668 4.345 1.00 0.00 O ATOM 1963 CB GLU B 51 10.706 -8.370 5.892 1.00 0.00 C ATOM 1964 CG GLU B 51 11.622 -8.542 7.094 1.00 0.00 C ATOM 1965 CD GLU B 51 11.942 -9.997 7.375 1.00 0.00 C ATOM 1966 OE1 GLU B 51 12.748 -10.589 6.628 1.00 0.00 O ATOM 1967 OE2 GLU B 51 11.400 -10.559 8.348 1.00 0.00 O ATOM 0 H GLU B 51 10.130 -7.930 3.541 1.00 0.00 H new ATOM 0 HA GLU B 51 10.067 -6.313 5.928 1.00 0.00 H new ATOM 0 HB2 GLU B 51 9.692 -8.643 6.183 1.00 0.00 H new ATOM 0 HB3 GLU B 51 11.014 -9.069 5.114 1.00 0.00 H new ATOM 0 HG2 GLU B 51 12.549 -7.996 6.921 1.00 0.00 H new ATOM 0 HG3 GLU B 51 11.151 -8.101 7.972 1.00 0.00 H new ATOM 1974 N ASP B 52 12.428 -5.577 6.261 1.00 0.00 N ATOM 1975 CA ASP B 52 13.784 -5.060 6.389 1.00 0.00 C ATOM 1976 C ASP B 52 14.634 -6.067 7.145 1.00 0.00 C ATOM 1977 O ASP B 52 14.131 -6.810 7.993 1.00 0.00 O ATOM 1978 CB ASP B 52 13.817 -3.686 7.072 1.00 0.00 C ATOM 1979 CG ASP B 52 13.198 -3.677 8.452 1.00 0.00 C ATOM 1980 OD1 ASP B 52 11.981 -3.424 8.550 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.923 -3.904 9.441 1.00 0.00 O ATOM 0 H ASP B 52 11.783 -5.266 6.987 1.00 0.00 H new ATOM 0 HA ASP B 52 14.193 -4.917 5.389 1.00 0.00 H new ATOM 0 HB2 ASP B 52 14.852 -3.352 7.146 1.00 0.00 H new ATOM 0 HB3 ASP B 52 13.293 -2.965 6.444 1.00 0.00 H new ATOM 1986 N GLY B 53 15.915 -6.085 6.842 1.00 0.00 N ATOM 1987 CA GLY B 53 16.773 -7.160 7.279 1.00 0.00 C ATOM 1988 C GLY B 53 17.185 -8.005 6.097 1.00 0.00 C ATOM 1989 O GLY B 53 17.978 -8.936 6.220 1.00 0.00 O ATOM 0 H GLY B 53 16.384 -5.364 6.293 1.00 0.00 H new ATOM 0 HA2 GLY B 53 17.656 -6.754 7.772 1.00 0.00 H new ATOM 0 HA3 GLY B 53 16.253 -7.776 8.013 1.00 0.00 H new ATOM 1993 N ARG B 54 16.626 -7.668 4.940 1.00 0.00 N ATOM 1994 CA ARG B 54 16.924 -8.361 3.697 1.00 0.00 C ATOM 1995 C ARG B 54 17.458 -7.366 2.676 1.00 0.00 C ATOM 1996 O ARG B 54 17.328 -6.156 2.859 1.00 0.00 O ATOM 1997 CB ARG B 54 15.663 -9.028 3.137 1.00 0.00 C ATOM 1998 CG ARG B 54 14.901 -9.865 4.150 1.00 0.00 C ATOM 1999 CD ARG B 54 15.702 -11.068 4.608 1.00 0.00 C ATOM 2000 NE ARG B 54 15.028 -11.778 5.692 1.00 0.00 N ATOM 2001 CZ ARG B 54 15.247 -13.054 5.998 1.00 0.00 C ATOM 2002 NH1 ARG B 54 16.031 -13.798 5.231 1.00 0.00 N ATOM 2003 NH2 ARG B 54 14.660 -13.588 7.059 1.00 0.00 N ATOM 0 H ARG B 54 15.954 -6.907 4.840 1.00 0.00 H new ATOM 0 HA ARG B 54 17.672 -9.128 3.897 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.999 -8.256 2.747 1.00 0.00 H new ATOM 0 HB3 ARG B 54 15.943 -9.662 2.296 1.00 0.00 H new ATOM 0 HG2 ARG B 54 14.647 -9.249 5.012 1.00 0.00 H new ATOM 0 HG3 ARG B 54 13.962 -10.201 3.710 1.00 0.00 H new ATOM 0 HD2 ARG B 54 15.856 -11.745 3.768 1.00 0.00 H new ATOM 0 HD3 ARG B 54 16.688 -10.745 4.941 1.00 0.00 H new ATOM 0 HE ARG B 54 14.346 -11.263 6.249 1.00 0.00 H new ATOM 0 HH11 ARG B 54 16.468 -13.393 4.404 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.197 -14.776 5.468 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.042 -13.021 7.639 1.00 0.00 H new ATOM 0 HH22 ARG B 54 14.826 -14.566 7.296 1.00 0.00 H new ATOM 2017 N THR B 55 18.043 -7.867 1.604 1.00 0.00 N ATOM 2018 CA THR B 55 18.553 -7.008 0.549 1.00 0.00 C ATOM 2019 C THR B 55 17.589 -6.987 -0.630 1.00 0.00 C ATOM 2020 O THR B 55 16.666 -7.802 -0.699 1.00 0.00 O ATOM 2021 CB THR B 55 19.939 -7.477 0.060 1.00 0.00 C ATOM 2022 OG1 THR B 55 19.865 -8.828 -0.416 1.00 0.00 O ATOM 2023 CG2 THR B 55 20.969 -7.389 1.175 1.00 0.00 C ATOM 0 H THR B 55 18.177 -8.865 1.440 1.00 0.00 H new ATOM 0 HA THR B 55 18.650 -6.005 0.964 1.00 0.00 H new ATOM 0 HB THR B 55 20.248 -6.820 -0.753 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.710 -9.433 0.339 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.937 -7.725 0.804 1.00 0.00 H new ATOM 0 HG22 THR B 55 21.050 -6.357 1.515 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.660 -8.022 2.007 1.00 0.00 H new ATOM 2031 N LEU B 56 17.807 -6.063 -1.560 1.00 0.00 N ATOM 2032 CA LEU B 56 17.007 -6.012 -2.779 1.00 0.00 C ATOM 2033 C LEU B 56 17.251 -7.259 -3.618 1.00 0.00 C ATOM 2034 O LEU B 56 16.391 -7.682 -4.386 1.00 0.00 O ATOM 2035 CB LEU B 56 17.327 -4.762 -3.606 1.00 0.00 C ATOM 2036 CG LEU B 56 16.716 -3.451 -3.104 1.00 0.00 C ATOM 2037 CD1 LEU B 56 17.395 -2.975 -1.831 1.00 0.00 C ATOM 2038 CD2 LEU B 56 16.798 -2.388 -4.183 1.00 0.00 C ATOM 0 H LEU B 56 18.527 -5.343 -1.494 1.00 0.00 H new ATOM 0 HA LEU B 56 15.958 -5.968 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU B 56 18.410 -4.644 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU B 56 16.988 -4.930 -4.628 1.00 0.00 H new ATOM 0 HG LEU B 56 15.668 -3.635 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.937 -2.042 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU B 56 17.280 -3.730 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU B 56 18.455 -2.811 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.360 -1.460 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.842 -2.217 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.251 -2.722 -5.065 1.00 0.00 H new ATOM 2050 N SER B 57 18.427 -7.847 -3.445 1.00 0.00 N ATOM 2051 CA SER B 57 18.798 -9.057 -4.158 1.00 0.00 C ATOM 2052 C SER B 57 18.000 -10.254 -3.644 1.00 0.00 C ATOM 2053 O SER B 57 17.736 -11.201 -4.386 1.00 0.00 O ATOM 2054 CB SER B 57 20.300 -9.309 -4.002 1.00 0.00 C ATOM 2055 OG SER B 57 20.730 -10.399 -4.799 1.00 0.00 O ATOM 0 H SER B 57 19.145 -7.499 -2.810 1.00 0.00 H new ATOM 0 HA SER B 57 18.567 -8.926 -5.215 1.00 0.00 H new ATOM 0 HB2 SER B 57 20.851 -8.412 -4.283 1.00 0.00 H new ATOM 0 HB3 SER B 57 20.529 -9.509 -2.955 1.00 0.00 H new ATOM 0 HG SER B 57 21.693 -10.533 -4.678 1.00 0.00 H new ATOM 2061 N ASP B 58 17.598 -10.200 -2.375 1.00 0.00 N ATOM 2062 CA ASP B 58 16.837 -11.289 -1.764 1.00 0.00 C ATOM 2063 C ASP B 58 15.455 -11.406 -2.390 1.00 0.00 C ATOM 2064 O ASP B 58 14.980 -12.505 -2.666 1.00 0.00 O ATOM 2065 CB ASP B 58 16.699 -11.094 -0.249 1.00 0.00 C ATOM 2066 CG ASP B 58 17.985 -11.375 0.503 1.00 0.00 C ATOM 2067 OD1 ASP B 58 18.443 -12.538 0.496 1.00 0.00 O ATOM 2068 OD2 ASP B 58 18.547 -10.435 1.105 1.00 0.00 O ATOM 0 H ASP B 58 17.786 -9.415 -1.751 1.00 0.00 H new ATOM 0 HA ASP B 58 17.390 -12.210 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP B 58 16.383 -10.071 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP B 58 15.914 -11.750 0.126 1.00 0.00 H new ATOM 2073 N TYR B 59 14.814 -10.272 -2.621 1.00 0.00 N ATOM 2074 CA TYR B 59 13.490 -10.261 -3.229 1.00 0.00 C ATOM 2075 C TYR B 59 13.604 -10.198 -4.747 1.00 0.00 C ATOM 2076 O TYR B 59 12.634 -10.443 -5.462 1.00 0.00 O ATOM 2077 CB TYR B 59 12.674 -9.071 -2.720 1.00 0.00 C ATOM 2078 CG TYR B 59 12.507 -9.048 -1.218 1.00 0.00 C ATOM 2079 CD1 TYR B 59 11.547 -9.834 -0.593 1.00 0.00 C ATOM 2080 CD2 TYR B 59 13.312 -8.239 -0.427 1.00 0.00 C ATOM 2081 CE1 TYR B 59 11.396 -9.815 0.779 1.00 0.00 C ATOM 2082 CE2 TYR B 59 13.168 -8.218 0.945 1.00 0.00 C ATOM 2083 CZ TYR B 59 12.208 -9.005 1.543 1.00 0.00 C ATOM 2084 OH TYR B 59 12.064 -8.985 2.912 1.00 0.00 O ATOM 0 H TYR B 59 15.186 -9.349 -2.398 1.00 0.00 H new ATOM 0 HA TYR B 59 12.979 -11.182 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR B 59 13.158 -8.147 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR B 59 11.689 -9.091 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR B 59 10.909 -10.469 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR B 59 14.062 -7.617 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR B 59 10.646 -10.432 1.251 1.00 0.00 H new ATOM 0 HE2 TYR B 59 13.805 -7.587 1.548 1.00 0.00 H new ATOM 0 HH TYR B 59 12.376 -8.124 3.261 1.00 0.00 H new ATOM 2094 N ASN B 60 14.812 -9.884 -5.212 1.00 0.00 N ATOM 2095 CA ASN B 60 15.101 -9.687 -6.632 1.00 0.00 C ATOM 2096 C ASN B 60 14.262 -8.548 -7.199 1.00 0.00 C ATOM 2097 O ASN B 60 13.253 -8.769 -7.870 1.00 0.00 O ATOM 2098 CB ASN B 60 14.880 -10.966 -7.446 1.00 0.00 C ATOM 2099 CG ASN B 60 15.281 -10.803 -8.904 1.00 0.00 C ATOM 2100 OD1 ASN B 60 16.185 -10.031 -9.232 1.00 0.00 O ATOM 2101 ND2 ASN B 60 14.612 -11.528 -9.790 1.00 0.00 N ATOM 0 H ASN B 60 15.625 -9.758 -4.609 1.00 0.00 H new ATOM 0 HA ASN B 60 16.156 -9.424 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN B 60 15.455 -11.779 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN B 60 13.829 -11.251 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN B 60 14.839 -11.458 -10.782 1.00 0.00 H new ATOM 0 HD22 ASN B 60 13.870 -12.156 -9.480 1.00 0.00 H new ATOM 2108 N ILE B 61 14.676 -7.329 -6.893 1.00 0.00 N ATOM 2109 CA ILE B 61 14.004 -6.145 -7.397 1.00 0.00 C ATOM 2110 C ILE B 61 14.768 -5.595 -8.596 1.00 0.00 C ATOM 2111 O ILE B 61 15.994 -5.472 -8.552 1.00 0.00 O ATOM 2112 CB ILE B 61 13.876 -5.060 -6.303 1.00 0.00 C ATOM 2113 CG1 ILE B 61 13.118 -5.623 -5.097 1.00 0.00 C ATOM 2114 CG2 ILE B 61 13.169 -3.827 -6.851 1.00 0.00 C ATOM 2115 CD1 ILE B 61 12.980 -4.647 -3.948 1.00 0.00 C ATOM 0 H ILE B 61 15.479 -7.134 -6.295 1.00 0.00 H new ATOM 0 HA ILE B 61 12.997 -6.427 -7.704 1.00 0.00 H new ATOM 0 HB ILE B 61 14.875 -4.764 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.124 -5.934 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE B 61 13.632 -6.516 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE B 61 13.089 -3.075 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.740 -3.421 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE B 61 12.171 -4.102 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE B 61 12.432 -5.120 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.970 -4.355 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE B 61 12.438 -3.763 -4.285 1.00 0.00 H new ATOM 2127 N GLN B 62 14.045 -5.298 -9.664 1.00 0.00 N ATOM 2128 CA GLN B 62 14.656 -4.850 -10.909 1.00 0.00 C ATOM 2129 C GLN B 62 14.826 -3.335 -10.921 1.00 0.00 C ATOM 2130 O GLN B 62 14.436 -2.641 -9.978 1.00 0.00 O ATOM 2131 CB GLN B 62 13.804 -5.269 -12.119 1.00 0.00 C ATOM 2132 CG GLN B 62 13.860 -6.753 -12.474 1.00 0.00 C ATOM 2133 CD GLN B 62 13.240 -7.652 -11.424 1.00 0.00 C ATOM 2134 OE1 GLN B 62 12.036 -7.916 -11.442 1.00 0.00 O ATOM 2135 NE2 GLN B 62 14.060 -8.157 -10.522 1.00 0.00 N ATOM 0 H GLN B 62 13.027 -5.359 -9.695 1.00 0.00 H new ATOM 0 HA GLN B 62 15.637 -5.321 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN B 62 12.767 -4.998 -11.923 1.00 0.00 H new ATOM 0 HB3 GLN B 62 14.126 -4.692 -12.986 1.00 0.00 H new ATOM 0 HG2 GLN B 62 13.348 -6.910 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN B 62 14.900 -7.044 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN B 62 15.051 -7.914 -10.540 1.00 0.00 H new ATOM 0 HE22 GLN B 62 13.703 -8.790 -9.806 1.00 0.00 H new ATOM 2144 N LYS B 63 15.418 -2.828 -11.991 1.00 0.00 N ATOM 2145 CA LYS B 63 15.507 -1.402 -12.206 1.00 0.00 C ATOM 2146 C LYS B 63 14.232 -0.939 -12.902 1.00 0.00 C ATOM 2147 O LYS B 63 13.597 -1.730 -13.600 1.00 0.00 O ATOM 2148 CB LYS B 63 16.737 -1.077 -13.056 1.00 0.00 C ATOM 2149 CG LYS B 63 17.088 0.396 -13.078 1.00 0.00 C ATOM 2150 CD LYS B 63 18.319 0.665 -13.929 1.00 0.00 C ATOM 2151 CE LYS B 63 18.020 0.529 -15.416 1.00 0.00 C ATOM 2152 NZ LYS B 63 17.243 1.687 -15.938 1.00 0.00 N ATOM 0 H LYS B 63 15.845 -3.392 -12.726 1.00 0.00 H new ATOM 0 HA LYS B 63 15.611 -0.882 -11.253 1.00 0.00 H new ATOM 0 HB2 LYS B 63 17.590 -1.639 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS B 63 16.562 -1.415 -14.077 1.00 0.00 H new ATOM 0 HG2 LYS B 63 16.244 0.966 -13.467 1.00 0.00 H new ATOM 0 HG3 LYS B 63 17.265 0.744 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS B 63 18.691 1.669 -13.723 1.00 0.00 H new ATOM 0 HD3 LYS B 63 19.111 -0.031 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS B 63 18.956 0.443 -15.967 1.00 0.00 H new ATOM 0 HE3 LYS B 63 17.461 -0.391 -15.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 16.762 1.414 -16.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 16.536 1.977 -15.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 17.888 2.480 -16.128 1.00 0.00 H new ATOM 2166 N GLU B 64 13.853 0.322 -12.687 1.00 0.00 N ATOM 2167 CA GLU B 64 12.634 0.898 -13.280 1.00 0.00 C ATOM 2168 C GLU B 64 11.384 0.330 -12.608 1.00 0.00 C ATOM 2169 O GLU B 64 10.264 0.577 -13.054 1.00 0.00 O ATOM 2170 CB GLU B 64 12.547 0.634 -14.795 1.00 0.00 C ATOM 2171 CG GLU B 64 13.788 1.025 -15.581 1.00 0.00 C ATOM 2172 CD GLU B 64 14.098 2.501 -15.511 1.00 0.00 C ATOM 2173 OE1 GLU B 64 13.431 3.291 -16.212 1.00 0.00 O ATOM 2174 OE2 GLU B 64 15.037 2.875 -14.780 1.00 0.00 O ATOM 0 H GLU B 64 14.375 0.973 -12.101 1.00 0.00 H new ATOM 0 HA GLU B 64 12.688 1.974 -13.117 1.00 0.00 H new ATOM 0 HB2 GLU B 64 12.352 -0.426 -14.954 1.00 0.00 H new ATOM 0 HB3 GLU B 64 11.693 1.179 -15.196 1.00 0.00 H new ATOM 0 HG2 GLU B 64 14.642 0.463 -15.202 1.00 0.00 H new ATOM 0 HG3 GLU B 64 13.655 0.738 -16.624 1.00 0.00 H new ATOM 2181 N SER B 65 11.578 -0.425 -11.533 1.00 0.00 N ATOM 2182 CA SER B 65 10.468 -1.067 -10.841 1.00 0.00 C ATOM 2183 C SER B 65 9.736 -0.075 -9.939 1.00 0.00 C ATOM 2184 O SER B 65 10.354 0.799 -9.327 1.00 0.00 O ATOM 2185 CB SER B 65 10.973 -2.257 -10.025 1.00 0.00 C ATOM 2186 OG SER B 65 11.586 -3.225 -10.861 1.00 0.00 O ATOM 0 H SER B 65 12.494 -0.607 -11.122 1.00 0.00 H new ATOM 0 HA SER B 65 9.762 -1.426 -11.589 1.00 0.00 H new ATOM 0 HB2 SER B 65 11.688 -1.912 -9.277 1.00 0.00 H new ATOM 0 HB3 SER B 65 10.142 -2.711 -9.486 1.00 0.00 H new ATOM 0 HG SER B 65 11.338 -4.123 -10.558 1.00 0.00 H new ATOM 2192 N THR B 66 8.421 -0.217 -9.867 1.00 0.00 N ATOM 2193 CA THR B 66 7.598 0.667 -9.060 1.00 0.00 C ATOM 2194 C THR B 66 7.201 -0.006 -7.748 1.00 0.00 C ATOM 2195 O THR B 66 6.525 -1.038 -7.740 1.00 0.00 O ATOM 2196 CB THR B 66 6.330 1.102 -9.823 1.00 0.00 C ATOM 2197 OG1 THR B 66 6.696 1.659 -11.092 1.00 0.00 O ATOM 2198 CG2 THR B 66 5.536 2.128 -9.026 1.00 0.00 C ATOM 0 H THR B 66 7.900 -0.941 -10.361 1.00 0.00 H new ATOM 0 HA THR B 66 8.193 1.553 -8.839 1.00 0.00 H new ATOM 0 HB THR B 66 5.704 0.223 -9.973 1.00 0.00 H new ATOM 0 HG1 THR B 66 5.888 1.933 -11.574 1.00 0.00 H new ATOM 0 HG21 THR B 66 4.648 2.417 -9.588 1.00 0.00 H new ATOM 0 HG22 THR B 66 5.237 1.695 -8.071 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.154 3.008 -8.848 1.00 0.00 H new ATOM 2206 N LEU B 67 7.640 0.582 -6.644 1.00 0.00 N ATOM 2207 CA LEU B 67 7.319 0.083 -5.317 1.00 0.00 C ATOM 2208 C LEU B 67 6.333 1.027 -4.642 1.00 0.00 C ATOM 2209 O LEU B 67 6.355 2.236 -4.881 1.00 0.00 O ATOM 2210 CB LEU B 67 8.584 -0.049 -4.453 1.00 0.00 C ATOM 2211 CG LEU B 67 9.564 -1.161 -4.850 1.00 0.00 C ATOM 2212 CD1 LEU B 67 10.300 -0.829 -6.140 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.557 -1.408 -3.730 1.00 0.00 C ATOM 0 H LEU B 67 8.227 1.416 -6.644 1.00 0.00 H new ATOM 0 HA LEU B 67 6.873 -0.906 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.117 0.902 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.277 -0.215 -3.420 1.00 0.00 H new ATOM 0 HG LEU B 67 8.984 -2.067 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU B 67 10.984 -1.640 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.579 -0.703 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU B 67 10.864 0.094 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU B 67 11.247 -2.199 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU B 67 11.116 -0.494 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU B 67 10.022 -1.709 -2.829 1.00 0.00 H new ATOM 2225 N HIS B 68 5.459 0.482 -3.816 1.00 0.00 N ATOM 2226 CA HIS B 68 4.483 1.297 -3.109 1.00 0.00 C ATOM 2227 C HIS B 68 4.797 1.300 -1.621 1.00 0.00 C ATOM 2228 O HIS B 68 4.962 0.241 -1.013 1.00 0.00 O ATOM 2229 CB HIS B 68 3.063 0.782 -3.361 1.00 0.00 C ATOM 2230 CG HIS B 68 2.702 0.715 -4.816 1.00 0.00 C ATOM 2231 ND1 HIS B 68 2.062 1.731 -5.491 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.919 -0.258 -5.730 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.898 1.381 -6.754 1.00 0.00 C ATOM 2234 NE2 HIS B 68 2.411 0.179 -6.924 1.00 0.00 N ATOM 0 H HIS B 68 5.403 -0.517 -3.617 1.00 0.00 H new ATOM 0 HA HIS B 68 4.540 2.319 -3.484 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.962 -0.211 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.353 1.431 -2.848 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.762 2.615 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.404 -1.206 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.424 1.979 -7.518 1.00 0.00 H new ATOM 2243 N LEU B 69 4.890 2.487 -1.046 1.00 0.00 N ATOM 2244 CA LEU B 69 5.271 2.631 0.348 1.00 0.00 C ATOM 2245 C LEU B 69 4.047 2.867 1.226 1.00 0.00 C ATOM 2246 O LEU B 69 3.481 3.963 1.249 1.00 0.00 O ATOM 2247 CB LEU B 69 6.271 3.782 0.514 1.00 0.00 C ATOM 2248 CG LEU B 69 6.845 3.952 1.923 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.583 2.694 2.354 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.769 5.158 1.980 1.00 0.00 C ATOM 0 H LEU B 69 4.706 3.368 -1.526 1.00 0.00 H new ATOM 0 HA LEU B 69 5.747 1.703 0.665 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.097 3.627 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.781 4.712 0.224 1.00 0.00 H new ATOM 0 HG LEU B 69 6.018 4.119 2.613 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.984 2.833 3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.894 1.849 2.353 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.401 2.496 1.661 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.168 5.263 2.989 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.591 5.020 1.278 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.212 6.056 1.714 1.00 0.00 H new ATOM 2262 N VAL B 70 3.643 1.824 1.930 1.00 0.00 N ATOM 2263 CA VAL B 70 2.533 1.901 2.863 1.00 0.00 C ATOM 2264 C VAL B 70 3.078 2.081 4.270 1.00 0.00 C ATOM 2265 O VAL B 70 3.946 1.336 4.711 1.00 0.00 O ATOM 2266 CB VAL B 70 1.654 0.635 2.791 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.405 0.801 3.635 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.285 0.324 1.350 1.00 0.00 C ATOM 0 H VAL B 70 4.074 0.902 1.871 1.00 0.00 H new ATOM 0 HA VAL B 70 1.908 2.753 2.596 1.00 0.00 H new ATOM 0 HB VAL B 70 2.227 -0.202 3.189 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.201 -0.103 3.570 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.688 0.975 4.673 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.171 1.651 3.269 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.665 -0.572 1.318 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.732 1.163 0.927 1.00 0.00 H new ATOM 0 HG23 VAL B 70 2.193 0.158 0.770 1.00 0.00 H new ATOM 2278 N LEU B 71 2.585 3.084 4.967 1.00 0.00 N ATOM 2279 CA LEU B 71 3.151 3.449 6.251 1.00 0.00 C ATOM 2280 C LEU B 71 2.309 2.920 7.403 1.00 0.00 C ATOM 2281 O LEU B 71 1.084 3.013 7.390 1.00 0.00 O ATOM 2282 CB LEU B 71 3.299 4.966 6.335 1.00 0.00 C ATOM 2283 CG LEU B 71 4.181 5.576 5.243 1.00 0.00 C ATOM 2284 CD1 LEU B 71 4.210 7.088 5.357 1.00 0.00 C ATOM 2285 CD2 LEU B 71 5.589 5.015 5.323 1.00 0.00 C ATOM 0 H LEU B 71 1.797 3.659 4.669 1.00 0.00 H new ATOM 0 HA LEU B 71 4.136 2.990 6.337 1.00 0.00 H new ATOM 0 HB2 LEU B 71 2.309 5.419 6.281 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.715 5.225 7.308 1.00 0.00 H new ATOM 0 HG LEU B 71 3.755 5.313 4.275 1.00 0.00 H new ATOM 0 HD11 LEU B 71 4.843 7.500 4.571 1.00 0.00 H new ATOM 0 HD12 LEU B 71 3.199 7.480 5.252 1.00 0.00 H new ATOM 0 HD13 LEU B 71 4.610 7.372 6.331 1.00 0.00 H new ATOM 0 HD21 LEU B 71 6.203 5.459 4.539 1.00 0.00 H new ATOM 0 HD22 LEU B 71 6.019 5.249 6.297 1.00 0.00 H new ATOM 0 HD23 LEU B 71 5.558 3.934 5.190 1.00 0.00 H new ATOM 2297 N ARG B 72 2.989 2.343 8.380 1.00 0.00 N ATOM 2298 CA ARG B 72 2.357 1.839 9.586 1.00 0.00 C ATOM 2299 C ARG B 72 1.809 3.001 10.409 1.00 0.00 C ATOM 2300 O ARG B 72 2.455 4.040 10.528 1.00 0.00 O ATOM 2301 CB ARG B 72 3.385 1.039 10.396 1.00 0.00 C ATOM 2302 CG ARG B 72 2.820 0.320 11.608 1.00 0.00 C ATOM 2303 CD ARG B 72 3.892 -0.510 12.294 1.00 0.00 C ATOM 2304 NE ARG B 72 3.353 -1.329 13.375 1.00 0.00 N ATOM 2305 CZ ARG B 72 3.805 -2.543 13.686 1.00 0.00 C ATOM 2306 NH1 ARG B 72 4.823 -3.081 13.019 1.00 0.00 N ATOM 2307 NH2 ARG B 72 3.247 -3.217 14.678 1.00 0.00 N ATOM 0 H ARG B 72 4.000 2.211 8.358 1.00 0.00 H new ATOM 0 HA ARG B 72 1.526 1.185 9.322 1.00 0.00 H new ATOM 0 HB2 ARG B 72 3.851 0.304 9.740 1.00 0.00 H new ATOM 0 HB3 ARG B 72 4.172 1.716 10.727 1.00 0.00 H new ATOM 0 HG2 ARG B 72 2.413 1.047 12.310 1.00 0.00 H new ATOM 0 HG3 ARG B 72 1.996 -0.324 11.302 1.00 0.00 H new ATOM 0 HD2 ARG B 72 4.375 -1.154 11.559 1.00 0.00 H new ATOM 0 HD3 ARG B 72 4.661 0.152 12.692 1.00 0.00 H new ATOM 0 HE ARG B 72 2.583 -0.949 13.926 1.00 0.00 H new ATOM 0 HH11 ARG B 72 5.266 -2.563 12.260 1.00 0.00 H new ATOM 0 HH12 ARG B 72 5.160 -4.011 13.266 1.00 0.00 H new ATOM 0 HH21 ARG B 72 2.474 -2.807 15.202 1.00 0.00 H new ATOM 0 HH22 ARG B 72 3.590 -4.147 14.919 1.00 0.00 H new ATOM 2321 N LEU B 73 0.628 2.823 10.985 1.00 0.00 N ATOM 2322 CA LEU B 73 -0.031 3.896 11.733 1.00 0.00 C ATOM 2323 C LEU B 73 0.599 4.095 13.112 1.00 0.00 C ATOM 2324 O LEU B 73 0.087 4.865 13.925 1.00 0.00 O ATOM 2325 CB LEU B 73 -1.523 3.593 11.881 1.00 0.00 C ATOM 2326 CG LEU B 73 -2.296 3.461 10.566 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -3.760 3.147 10.839 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -2.170 4.737 9.746 1.00 0.00 C ATOM 0 H LEU B 73 0.104 1.949 10.951 1.00 0.00 H new ATOM 0 HA LEU B 73 0.100 4.820 11.170 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -1.635 2.666 12.444 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -1.981 4.384 12.475 1.00 0.00 H new ATOM 0 HG LEU B 73 -1.867 2.638 9.994 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -4.295 3.056 9.894 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.834 2.209 11.389 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -4.200 3.950 11.430 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.725 4.627 8.814 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -2.575 5.575 10.313 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -1.120 4.924 9.523 1.00 0.00 H new