USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN :FLIP amide:sc= -4.45! C(o=-5.8!,f=-3.9!) USER MOD Set 1.2: A 77 SER OG : rot -143:sc= 0.525 USER MOD Set 2.1: A 50 THR OG1 : rot 160:sc= -2.07! USER MOD Set 2.2: A 55 SER OG : rot -83:sc= -4.24! USER MOD Set 3.1: A 38 GLN : amide:sc= -0.244 K(o=0.92,f=-0.68!) USER MOD Set 3.2: A 43 SER OG : rot 160:sc= 1.17 USER MOD Set 4.1: A 10 THR OG1 : rot -19:sc= 0.372 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 4 THR OG1 : rot 180:sc= -3.88! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 9 MET CE :methyl -113:sc= -7.87! (180deg=-15.8!) USER MOD Single : A -1 ALA N :NH3+ -130:sc= 0.0266 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.221 USER MOD Single : A 20 SER OG : rot 13:sc= 0.633 USER MOD Single : A 21 CYS SG : rot -120:sc= -0.534 USER MOD Single : A 23 THR OG1 : rot -8:sc= 0.406! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 32 THR OG1 : rot 116:sc= 0.159 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 52:sc= 0.213 USER MOD Single : A 42 THR OG1 : rot 60:sc= 0.71 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.698 F(o=-2.7!,f=-0.7) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.776 F(o=-2.6,f=-0.78) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= -0.0437 (180deg=-0.52) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 171:sc= -5.41! USER MOD Single : A 60 SER OG : rot -80:sc= -0.391 USER MOD Single : A 61 SER OG : rot -40:sc= 1.25 USER MOD Single : A 69 ASN : amide:sc= -1.96 K(o=-2,f=-4.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 111:sc= -2.88 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.3!) USER MOD Single : A 86 THR OG1 : rot 25:sc= 0.931 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.378 0.527 7.248 1.00 0.00 N ATOM 82 CA ALA A -1 18.239 -0.383 7.513 1.00 0.00 C ATOM 83 C ALA A -1 17.035 0.051 6.672 1.00 0.00 C ATOM 84 O ALA A -1 17.179 0.482 5.544 1.00 0.00 O ATOM 85 CB ALA A -1 17.960 -0.222 9.009 1.00 0.00 C ATOM 0 H1 ALA A -1 20.228 -0.033 7.035 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.153 1.138 6.437 1.00 0.00 H new ATOM 0 H3 ALA A -1 19.554 1.116 8.087 1.00 0.00 H new ATOM 0 HA ALA A -1 18.446 -1.421 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.126 -0.863 9.295 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.846 -0.505 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.708 0.817 9.222 1.00 0.00 H new ATOM 91 N ALA A 0 15.854 -0.059 7.206 1.00 0.00 N ATOM 92 CA ALA A 0 14.641 0.345 6.441 1.00 0.00 C ATOM 93 C ALA A 0 13.557 0.809 7.413 1.00 0.00 C ATOM 94 O ALA A 0 13.173 0.092 8.315 1.00 0.00 O ATOM 95 CB ALA A 0 14.198 -0.915 5.699 1.00 0.00 C ATOM 0 H ALA A 0 15.674 -0.413 8.145 1.00 0.00 H new ATOM 0 HA ALA A 0 14.833 1.167 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.307 -0.697 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.997 -1.247 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.974 -1.702 6.419 1.00 0.00 H new ATOM 101 N ARG A 1 13.063 2.001 7.244 1.00 0.00 N ATOM 102 CA ARG A 1 12.007 2.499 8.171 1.00 0.00 C ATOM 103 C ARG A 1 11.017 3.386 7.417 1.00 0.00 C ATOM 104 O ARG A 1 11.377 4.103 6.506 1.00 0.00 O ATOM 105 CB ARG A 1 12.757 3.308 9.230 1.00 0.00 C ATOM 106 CG ARG A 1 13.612 4.380 8.550 1.00 0.00 C ATOM 107 CD ARG A 1 13.609 5.652 9.400 1.00 0.00 C ATOM 108 NE ARG A 1 14.806 6.414 8.952 1.00 0.00 N ATOM 109 CZ ARG A 1 14.851 7.708 9.106 1.00 0.00 C ATOM 110 NH1 ARG A 1 15.031 8.218 10.293 1.00 0.00 N ATOM 111 NH2 ARG A 1 14.715 8.494 8.073 1.00 0.00 N ATOM 0 H ARG A 1 13.341 2.651 6.509 1.00 0.00 H new ATOM 0 HA ARG A 1 11.430 1.687 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.049 3.774 9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.389 2.649 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.632 4.019 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.222 4.594 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.695 6.227 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.665 5.417 10.463 1.00 0.00 H new ATOM 0 HE ARG A 1 15.592 5.924 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.137 7.605 11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.066 9.230 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.573 8.096 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.750 9.506 8.194 1.00 0.00 H new ATOM 125 N ILE A 2 9.772 3.346 7.795 1.00 0.00 N ATOM 126 CA ILE A 2 8.765 4.189 7.102 1.00 0.00 C ATOM 127 C ILE A 2 8.668 5.554 7.787 1.00 0.00 C ATOM 128 O ILE A 2 8.487 5.656 8.985 1.00 0.00 O ATOM 129 CB ILE A 2 7.446 3.417 7.211 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.524 2.166 6.328 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.286 4.301 6.737 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.189 1.418 6.359 1.00 0.00 C ATOM 0 H ILE A 2 9.410 2.767 8.552 1.00 0.00 H new ATOM 0 HA ILE A 2 9.025 4.379 6.061 1.00 0.00 H new ATOM 0 HB ILE A 2 7.277 3.130 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.768 2.449 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.324 1.513 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.351 3.747 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.232 5.195 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.449 4.590 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.254 0.531 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.963 1.120 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.398 2.070 5.987 1.00 0.00 H new ATOM 144 N LEU A 3 8.790 6.597 7.023 1.00 0.00 N ATOM 145 CA LEU A 3 8.712 7.969 7.587 1.00 0.00 C ATOM 146 C LEU A 3 7.254 8.429 7.601 1.00 0.00 C ATOM 147 O LEU A 3 6.839 9.215 8.430 1.00 0.00 O ATOM 148 CB LEU A 3 9.545 8.800 6.613 1.00 0.00 C ATOM 149 CG LEU A 3 9.552 10.263 7.033 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.908 10.869 6.677 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.443 11.010 6.285 1.00 0.00 C ATOM 0 H LEU A 3 8.943 6.557 6.015 1.00 0.00 H new ATOM 0 HA LEU A 3 9.074 8.049 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.566 8.419 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.139 8.706 5.606 1.00 0.00 H new ATOM 0 HG LEU A 3 9.380 10.346 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.927 11.918 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.697 10.330 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.070 10.792 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.445 12.058 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.616 10.938 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.478 10.566 6.527 1.00 0.00 H new ATOM 163 N THR A 4 6.474 7.921 6.691 1.00 0.00 N ATOM 164 CA THR A 4 5.031 8.287 6.630 1.00 0.00 C ATOM 165 C THR A 4 4.243 7.105 6.058 1.00 0.00 C ATOM 166 O THR A 4 4.714 6.403 5.185 1.00 0.00 O ATOM 167 CB THR A 4 4.959 9.497 5.696 1.00 0.00 C ATOM 168 OG1 THR A 4 5.619 10.600 6.302 1.00 0.00 O ATOM 169 CG2 THR A 4 3.495 9.858 5.435 1.00 0.00 C ATOM 0 H THR A 4 6.778 7.259 5.977 1.00 0.00 H new ATOM 0 HA THR A 4 4.609 8.522 7.607 1.00 0.00 H new ATOM 0 HB THR A 4 5.445 9.255 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.576 11.376 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.446 10.720 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.989 9.012 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.006 10.100 6.379 1.00 0.00 H new ATOM 177 N LYS A 5 3.058 6.865 6.545 1.00 0.00 N ATOM 178 CA LYS A 5 2.269 5.722 6.027 1.00 0.00 C ATOM 179 C LYS A 5 1.026 6.228 5.284 1.00 0.00 C ATOM 180 O LYS A 5 0.747 7.411 5.279 1.00 0.00 O ATOM 181 CB LYS A 5 1.876 4.922 7.271 1.00 0.00 C ATOM 182 CG LYS A 5 1.047 5.803 8.210 1.00 0.00 C ATOM 183 CD LYS A 5 -0.208 5.045 8.649 1.00 0.00 C ATOM 184 CE LYS A 5 0.111 4.195 9.883 1.00 0.00 C ATOM 185 NZ LYS A 5 -1.214 3.729 10.388 1.00 0.00 N ATOM 0 H LYS A 5 2.605 7.412 7.278 1.00 0.00 H new ATOM 0 HA LYS A 5 2.830 5.116 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.303 4.041 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.770 4.567 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.640 6.082 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.768 6.728 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.009 5.748 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.563 4.409 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.753 3.353 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.638 4.779 10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.076 3.140 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.802 4.552 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.689 3.170 9.651 1.00 0.00 H new ATOM 199 N PRO A 6 0.326 5.310 4.670 1.00 0.00 N ATOM 200 CA PRO A 6 -0.888 5.658 3.909 1.00 0.00 C ATOM 201 C PRO A 6 -2.117 5.613 4.824 1.00 0.00 C ATOM 202 O PRO A 6 -2.170 4.849 5.768 1.00 0.00 O ATOM 203 CB PRO A 6 -0.952 4.561 2.852 1.00 0.00 C ATOM 204 CG PRO A 6 -0.204 3.389 3.429 1.00 0.00 C ATOM 205 CD PRO A 6 0.591 3.874 4.622 1.00 0.00 C ATOM 0 HA PRO A 6 -0.867 6.661 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.985 4.294 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.499 4.892 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.899 2.605 3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.460 2.956 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.273 3.380 5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.655 3.669 4.502 1.00 0.00 H new ATOM 213 N ARG A 7 -3.106 6.419 4.555 1.00 0.00 N ATOM 214 CA ARG A 7 -4.324 6.409 5.414 1.00 0.00 C ATOM 215 C ARG A 7 -5.339 5.399 4.869 1.00 0.00 C ATOM 216 O ARG A 7 -5.242 4.957 3.743 1.00 0.00 O ATOM 217 CB ARG A 7 -4.880 7.836 5.353 1.00 0.00 C ATOM 218 CG ARG A 7 -5.392 8.143 3.942 1.00 0.00 C ATOM 219 CD ARG A 7 -6.008 9.546 3.918 1.00 0.00 C ATOM 220 NE ARG A 7 -5.544 10.154 2.639 1.00 0.00 N ATOM 221 CZ ARG A 7 -4.271 10.368 2.438 1.00 0.00 C ATOM 222 NH1 ARG A 7 -3.585 11.080 3.287 1.00 0.00 N ATOM 223 NH2 ARG A 7 -3.685 9.865 1.388 1.00 0.00 N ATOM 0 H ARG A 7 -3.124 7.082 3.780 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.104 6.115 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.689 7.950 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.103 8.549 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.574 8.081 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.134 7.403 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.096 9.499 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.681 10.134 4.775 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.222 10.404 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.042 11.472 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.591 11.246 3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.220 9.305 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.691 10.031 1.230 1.00 0.00 H new ATOM 237 N SER A 8 -6.306 5.028 5.658 1.00 0.00 N ATOM 238 CA SER A 8 -7.315 4.043 5.176 1.00 0.00 C ATOM 239 C SER A 8 -8.455 4.762 4.452 1.00 0.00 C ATOM 240 O SER A 8 -8.381 5.940 4.166 1.00 0.00 O ATOM 241 CB SER A 8 -7.828 3.355 6.437 1.00 0.00 C ATOM 242 OG SER A 8 -6.736 3.102 7.308 1.00 0.00 O ATOM 0 H SER A 8 -6.443 5.362 6.612 1.00 0.00 H new ATOM 0 HA SER A 8 -6.892 3.331 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.567 3.984 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.327 2.421 6.179 1.00 0.00 H new ATOM 0 HG SER A 8 -7.061 2.661 8.121 1.00 0.00 H new ATOM 248 N MET A 9 -9.506 4.054 4.149 1.00 0.00 N ATOM 249 CA MET A 9 -10.653 4.680 3.437 1.00 0.00 C ATOM 250 C MET A 9 -11.823 3.703 3.357 1.00 0.00 C ATOM 251 O MET A 9 -11.708 2.543 3.701 1.00 0.00 O ATOM 252 CB MET A 9 -10.130 4.984 2.041 1.00 0.00 C ATOM 253 CG MET A 9 -10.775 6.263 1.509 1.00 0.00 C ATOM 254 SD MET A 9 -10.295 7.672 2.541 1.00 0.00 S ATOM 255 CE MET A 9 -8.736 8.042 1.702 1.00 0.00 C ATOM 0 H MET A 9 -9.620 3.064 4.365 1.00 0.00 H new ATOM 0 HA MET A 9 -11.014 5.573 3.947 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.046 5.097 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.348 4.151 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.466 6.435 0.478 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.860 6.158 1.503 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.903 7.836 2.374 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.646 7.421 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.718 9.093 1.414 1.00 0.00 H new ATOM 265 N THR A 10 -12.947 4.167 2.903 1.00 0.00 N ATOM 266 CA THR A 10 -14.132 3.266 2.794 1.00 0.00 C ATOM 267 C THR A 10 -15.078 3.728 1.688 1.00 0.00 C ATOM 268 O THR A 10 -15.427 4.888 1.597 1.00 0.00 O ATOM 269 CB THR A 10 -14.810 3.335 4.161 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.889 2.928 5.164 1.00 0.00 O ATOM 271 CG2 THR A 10 -16.027 2.411 4.177 1.00 0.00 C ATOM 0 H THR A 10 -13.102 5.129 2.602 1.00 0.00 H new ATOM 0 HA THR A 10 -13.844 2.248 2.533 1.00 0.00 H new ATOM 0 HB THR A 10 -15.133 4.358 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.158 2.423 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.509 2.462 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.732 2.725 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.709 1.387 3.982 1.00 0.00 H new ATOM 279 N VAL A 11 -15.490 2.824 0.842 1.00 0.00 N ATOM 280 CA VAL A 11 -16.407 3.201 -0.264 1.00 0.00 C ATOM 281 C VAL A 11 -17.301 2.016 -0.657 1.00 0.00 C ATOM 282 O VAL A 11 -17.410 1.047 0.065 1.00 0.00 O ATOM 283 CB VAL A 11 -15.476 3.602 -1.408 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.839 4.938 -1.066 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.361 2.571 -1.593 1.00 0.00 C ATOM 0 H VAL A 11 -15.229 1.838 0.871 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.087 4.007 0.010 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.058 3.663 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.171 5.240 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.617 5.690 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.271 4.844 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.712 2.880 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.777 2.498 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.798 1.599 -1.822 1.00 0.00 H new ATOM 295 N TYR A 12 -17.936 2.084 -1.798 1.00 0.00 N ATOM 296 CA TYR A 12 -18.807 0.950 -2.238 1.00 0.00 C ATOM 297 C TYR A 12 -17.969 -0.033 -3.051 1.00 0.00 C ATOM 298 O TYR A 12 -18.245 -1.213 -3.117 1.00 0.00 O ATOM 299 CB TYR A 12 -19.884 1.577 -3.118 1.00 0.00 C ATOM 300 CG TYR A 12 -21.202 0.886 -2.858 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.776 0.928 -1.581 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.852 0.200 -3.893 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.996 0.287 -1.340 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.072 -0.440 -3.650 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.645 -0.396 -2.374 1.00 0.00 C ATOM 306 OH TYR A 12 -24.849 -1.026 -2.135 1.00 0.00 O ATOM 0 H TYR A 12 -17.891 2.872 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.245 0.410 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.970 2.642 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.612 1.483 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -21.276 1.456 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.411 0.165 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.437 0.320 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.572 -0.969 -4.448 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.165 -1.452 -2.959 1.00 0.00 H new ATOM 316 N GLU A 13 -16.937 0.463 -3.659 1.00 0.00 N ATOM 317 CA GLU A 13 -16.037 -0.403 -4.462 1.00 0.00 C ATOM 318 C GLU A 13 -14.656 0.261 -4.487 1.00 0.00 C ATOM 319 O GLU A 13 -14.092 0.542 -3.446 1.00 0.00 O ATOM 320 CB GLU A 13 -16.679 -0.469 -5.854 1.00 0.00 C ATOM 321 CG GLU A 13 -16.844 0.944 -6.411 1.00 0.00 C ATOM 322 CD GLU A 13 -16.499 0.953 -7.903 1.00 0.00 C ATOM 323 OE1 GLU A 13 -15.711 0.118 -8.315 1.00 0.00 O ATOM 324 OE2 GLU A 13 -17.028 1.795 -8.609 1.00 0.00 O ATOM 0 H GLU A 13 -16.673 1.448 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.909 -1.410 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.058 -1.064 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.649 -0.963 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.868 1.287 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.195 1.635 -5.873 1.00 0.00 H new ATOM 331 N GLY A 14 -14.101 0.538 -5.635 1.00 0.00 N ATOM 332 CA GLY A 14 -12.773 1.201 -5.654 1.00 0.00 C ATOM 333 C GLY A 14 -12.960 2.710 -5.820 1.00 0.00 C ATOM 334 O GLY A 14 -12.177 3.374 -6.469 1.00 0.00 O ATOM 0 H GLY A 14 -14.506 0.336 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.236 0.990 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.169 0.806 -6.471 1.00 0.00 H new ATOM 338 N GLU A 15 -13.980 3.265 -5.213 1.00 0.00 N ATOM 339 CA GLU A 15 -14.192 4.736 -5.316 1.00 0.00 C ATOM 340 C GLU A 15 -13.479 5.426 -4.151 1.00 0.00 C ATOM 341 O GLU A 15 -13.682 6.593 -3.886 1.00 0.00 O ATOM 342 CB GLU A 15 -15.706 4.935 -5.211 1.00 0.00 C ATOM 343 CG GLU A 15 -16.388 4.363 -6.455 1.00 0.00 C ATOM 344 CD GLU A 15 -16.095 5.258 -7.658 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.290 6.457 -7.542 1.00 0.00 O ATOM 346 OE2 GLU A 15 -15.680 4.731 -8.677 1.00 0.00 O ATOM 0 H GLU A 15 -14.670 2.763 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.799 5.155 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.086 4.442 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.937 5.996 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.030 3.351 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.464 4.295 -6.293 1.00 0.00 H new ATOM 353 N SER A 16 -12.649 4.699 -3.448 1.00 0.00 N ATOM 354 CA SER A 16 -11.921 5.285 -2.294 1.00 0.00 C ATOM 355 C SER A 16 -11.041 6.442 -2.747 1.00 0.00 C ATOM 356 O SER A 16 -11.327 7.125 -3.709 1.00 0.00 O ATOM 357 CB SER A 16 -11.064 4.138 -1.758 1.00 0.00 C ATOM 358 OG SER A 16 -9.881 4.037 -2.540 1.00 0.00 O ATOM 0 H SER A 16 -12.446 3.716 -3.630 1.00 0.00 H new ATOM 0 HA SER A 16 -12.597 5.686 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.810 4.315 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.621 3.202 -1.797 1.00 0.00 H new ATOM 0 HG SER A 16 -9.326 3.304 -2.200 1.00 0.00 H new ATOM 364 N ALA A 17 -9.971 6.664 -2.052 1.00 0.00 N ATOM 365 CA ALA A 17 -9.058 7.780 -2.421 1.00 0.00 C ATOM 366 C ALA A 17 -7.655 7.242 -2.692 1.00 0.00 C ATOM 367 O ALA A 17 -7.444 6.047 -2.769 1.00 0.00 O ATOM 368 CB ALA A 17 -9.053 8.705 -1.204 1.00 0.00 C ATOM 0 H ALA A 17 -9.683 6.120 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.380 8.298 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.400 9.556 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.066 9.060 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.690 8.159 -0.333 1.00 0.00 H new ATOM 374 N ARG A 18 -6.694 8.111 -2.833 1.00 0.00 N ATOM 375 CA ARG A 18 -5.307 7.642 -3.093 1.00 0.00 C ATOM 376 C ARG A 18 -4.552 7.507 -1.769 1.00 0.00 C ATOM 377 O ARG A 18 -4.988 7.993 -0.747 1.00 0.00 O ATOM 378 CB ARG A 18 -4.674 8.721 -3.979 1.00 0.00 C ATOM 379 CG ARG A 18 -4.607 10.048 -3.219 1.00 0.00 C ATOM 380 CD ARG A 18 -3.198 10.638 -3.345 1.00 0.00 C ATOM 381 NE ARG A 18 -3.293 11.632 -4.450 1.00 0.00 N ATOM 382 CZ ARG A 18 -3.415 12.903 -4.177 1.00 0.00 C ATOM 383 NH1 ARG A 18 -2.391 13.576 -3.729 1.00 0.00 N ATOM 384 NH2 ARG A 18 -4.562 13.502 -4.355 1.00 0.00 N ATOM 0 H ARG A 18 -6.809 9.123 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.279 6.666 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.673 8.414 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.258 8.844 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.342 10.746 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.855 9.891 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.884 11.111 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.465 9.864 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.263 11.320 -5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.494 13.109 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.487 14.569 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.362 12.977 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.657 14.495 -4.142 1.00 0.00 H new ATOM 398 N PHE A 19 -3.427 6.851 -1.780 1.00 0.00 N ATOM 399 CA PHE A 19 -2.644 6.689 -0.517 1.00 0.00 C ATOM 400 C PHE A 19 -1.162 6.944 -0.784 1.00 0.00 C ATOM 401 O PHE A 19 -0.690 6.798 -1.893 1.00 0.00 O ATOM 402 CB PHE A 19 -2.862 5.236 -0.084 1.00 0.00 C ATOM 403 CG PHE A 19 -4.341 4.962 0.037 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.148 5.820 0.791 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.906 3.856 -0.610 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.520 5.571 0.900 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.279 3.609 -0.502 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.086 4.467 0.254 1.00 0.00 C ATOM 0 H PHE A 19 -3.013 6.419 -2.606 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.962 7.392 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.414 4.558 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.368 5.052 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.712 6.674 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.282 3.194 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.143 6.232 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.716 2.757 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.146 4.277 0.339 1.00 0.00 H new ATOM 418 N SER A 20 -0.421 7.325 0.218 1.00 0.00 N ATOM 419 CA SER A 20 1.029 7.579 -0.001 1.00 0.00 C ATOM 420 C SER A 20 1.825 7.315 1.276 1.00 0.00 C ATOM 421 O SER A 20 1.581 7.906 2.309 1.00 0.00 O ATOM 422 CB SER A 20 1.126 9.050 -0.403 1.00 0.00 C ATOM 423 OG SER A 20 0.753 9.864 0.700 1.00 0.00 O ATOM 0 H SER A 20 -0.753 7.471 1.171 1.00 0.00 H new ATOM 0 HA SER A 20 1.443 6.921 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.143 9.287 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.475 9.250 -1.254 1.00 0.00 H new ATOM 0 HG SER A 20 0.716 9.317 1.512 1.00 0.00 H new ATOM 429 N CYS A 21 2.783 6.437 1.207 1.00 0.00 N ATOM 430 CA CYS A 21 3.609 6.139 2.403 1.00 0.00 C ATOM 431 C CYS A 21 5.078 6.427 2.089 1.00 0.00 C ATOM 432 O CYS A 21 5.641 5.870 1.172 1.00 0.00 O ATOM 433 CB CYS A 21 3.392 4.651 2.671 1.00 0.00 C ATOM 434 SG CYS A 21 3.852 3.684 1.209 1.00 0.00 S ATOM 0 H CYS A 21 3.030 5.911 0.369 1.00 0.00 H new ATOM 0 HA CYS A 21 3.338 6.744 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.988 4.337 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.348 4.467 2.925 1.00 0.00 H new ATOM 0 HG CYS A 21 2.818 3.019 0.786 1.00 0.00 H new ATOM 440 N ASP A 22 5.706 7.298 2.825 1.00 0.00 N ATOM 441 CA ASP A 22 7.137 7.601 2.533 1.00 0.00 C ATOM 442 C ASP A 22 8.029 6.653 3.327 1.00 0.00 C ATOM 443 O ASP A 22 7.665 6.191 4.385 1.00 0.00 O ATOM 444 CB ASP A 22 7.375 9.050 2.966 1.00 0.00 C ATOM 445 CG ASP A 22 6.196 9.939 2.548 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.451 9.528 1.672 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.058 11.013 3.110 1.00 0.00 O ATOM 0 H ASP A 22 5.298 7.809 3.608 1.00 0.00 H new ATOM 0 HA ASP A 22 7.369 7.472 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.506 9.095 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.296 9.423 2.517 1.00 0.00 H new ATOM 452 N THR A 23 9.186 6.352 2.817 1.00 0.00 N ATOM 453 CA THR A 23 10.110 5.423 3.536 1.00 0.00 C ATOM 454 C THR A 23 11.560 5.757 3.184 1.00 0.00 C ATOM 455 O THR A 23 11.889 5.999 2.043 1.00 0.00 O ATOM 456 CB THR A 23 9.773 4.007 3.043 1.00 0.00 C ATOM 457 OG1 THR A 23 10.346 3.808 1.759 1.00 0.00 O ATOM 458 CG2 THR A 23 8.257 3.804 2.960 1.00 0.00 C ATOM 0 H THR A 23 9.538 6.709 1.929 1.00 0.00 H new ATOM 0 HA THR A 23 9.994 5.508 4.616 1.00 0.00 H new ATOM 0 HB THR A 23 10.181 3.286 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.710 4.656 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.044 2.794 2.609 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.816 3.945 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.831 4.528 2.265 1.00 0.00 H new ATOM 466 N ASP A 24 12.430 5.756 4.150 1.00 0.00 N ATOM 467 CA ASP A 24 13.865 6.059 3.866 1.00 0.00 C ATOM 468 C ASP A 24 14.715 4.796 4.042 1.00 0.00 C ATOM 469 O ASP A 24 14.368 3.908 4.797 1.00 0.00 O ATOM 470 CB ASP A 24 14.254 7.111 4.896 1.00 0.00 C ATOM 471 CG ASP A 24 13.521 8.420 4.593 1.00 0.00 C ATOM 472 OD1 ASP A 24 12.337 8.361 4.307 1.00 0.00 O ATOM 473 OD2 ASP A 24 14.159 9.459 4.650 1.00 0.00 O ATOM 0 H ASP A 24 12.214 5.559 5.127 1.00 0.00 H new ATOM 0 HA ASP A 24 14.022 6.409 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.002 6.764 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.332 7.273 4.877 1.00 0.00 H new ATOM 478 N GLY A 25 15.826 4.706 3.356 1.00 0.00 N ATOM 479 CA GLY A 25 16.686 3.493 3.499 1.00 0.00 C ATOM 480 C GLY A 25 17.933 3.610 2.614 1.00 0.00 C ATOM 481 O GLY A 25 18.174 4.622 1.987 1.00 0.00 O ATOM 0 H GLY A 25 16.173 5.414 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.983 3.371 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.119 2.604 3.223 1.00 0.00 H new ATOM 485 N GLU A 26 18.723 2.568 2.563 1.00 0.00 N ATOM 486 CA GLU A 26 19.960 2.586 1.725 1.00 0.00 C ATOM 487 C GLU A 26 20.397 1.135 1.426 1.00 0.00 C ATOM 488 O GLU A 26 20.705 0.407 2.345 1.00 0.00 O ATOM 489 CB GLU A 26 21.014 3.288 2.585 1.00 0.00 C ATOM 490 CG GLU A 26 22.008 4.016 1.675 1.00 0.00 C ATOM 491 CD GLU A 26 21.958 5.525 1.936 1.00 0.00 C ATOM 492 OE1 GLU A 26 21.007 5.974 2.553 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.876 6.207 1.509 1.00 0.00 O ATOM 0 H GLU A 26 18.562 1.698 3.071 1.00 0.00 H new ATOM 0 HA GLU A 26 19.813 3.092 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.535 3.997 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.537 2.560 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.016 3.642 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.772 3.812 0.630 1.00 0.00 H new ATOM 500 N PRO A 27 20.401 0.736 0.166 1.00 0.00 N ATOM 501 CA PRO A 27 20.022 1.628 -0.967 1.00 0.00 C ATOM 502 C PRO A 27 18.548 2.024 -0.875 1.00 0.00 C ATOM 503 O PRO A 27 17.886 1.769 0.111 1.00 0.00 O ATOM 504 CB PRO A 27 20.290 0.776 -2.205 1.00 0.00 C ATOM 505 CG PRO A 27 20.208 -0.632 -1.720 1.00 0.00 C ATOM 506 CD PRO A 27 20.716 -0.620 -0.304 1.00 0.00 C ATOM 0 HA PRO A 27 20.580 2.565 -0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.554 0.969 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.270 0.992 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.182 -0.999 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 27 20.809 -1.294 -2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.225 -1.379 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.787 -0.821 -0.261 1.00 0.00 H new ATOM 514 N VAL A 28 18.043 2.669 -1.892 1.00 0.00 N ATOM 515 CA VAL A 28 16.618 3.117 -1.879 1.00 0.00 C ATOM 516 C VAL A 28 15.691 1.993 -1.361 1.00 0.00 C ATOM 517 O VAL A 28 15.881 0.838 -1.682 1.00 0.00 O ATOM 518 CB VAL A 28 16.338 3.529 -3.347 1.00 0.00 C ATOM 519 CG1 VAL A 28 15.638 2.422 -4.115 1.00 0.00 C ATOM 520 CG2 VAL A 28 15.453 4.772 -3.394 1.00 0.00 C ATOM 0 H VAL A 28 18.560 2.907 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 28 16.428 3.949 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 28 17.305 3.732 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.458 2.747 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.266 1.531 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.687 2.192 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.267 5.047 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.505 4.563 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.954 5.595 -2.885 1.00 0.00 H new ATOM 530 N PRO A 29 14.731 2.381 -0.550 1.00 0.00 N ATOM 531 CA PRO A 29 13.788 1.403 0.048 1.00 0.00 C ATOM 532 C PRO A 29 12.785 0.899 -0.989 1.00 0.00 C ATOM 533 O PRO A 29 12.626 1.471 -2.050 1.00 0.00 O ATOM 534 CB PRO A 29 13.064 2.217 1.114 1.00 0.00 C ATOM 535 CG PRO A 29 13.153 3.630 0.651 1.00 0.00 C ATOM 536 CD PRO A 29 14.433 3.754 -0.120 1.00 0.00 C ATOM 0 HA PRO A 29 14.295 0.521 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.026 1.900 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.532 2.092 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.298 3.886 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.144 4.316 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.320 4.423 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.233 4.160 0.499 1.00 0.00 H new ATOM 544 N THR A 30 12.089 -0.156 -0.674 1.00 0.00 N ATOM 545 CA THR A 30 11.069 -0.691 -1.621 1.00 0.00 C ATOM 546 C THR A 30 9.694 -0.659 -0.949 1.00 0.00 C ATOM 547 O THR A 30 9.550 -0.170 0.155 1.00 0.00 O ATOM 548 CB THR A 30 11.502 -2.131 -1.929 1.00 0.00 C ATOM 549 OG1 THR A 30 10.687 -2.652 -2.968 1.00 0.00 O ATOM 550 CG2 THR A 30 11.359 -3.008 -0.683 1.00 0.00 C ATOM 0 H THR A 30 12.182 -0.673 0.200 1.00 0.00 H new ATOM 0 HA THR A 30 10.998 -0.105 -2.537 1.00 0.00 H new ATOM 0 HB THR A 30 12.547 -2.129 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.961 -3.571 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.670 -4.026 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.987 -2.611 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.319 -3.012 -0.358 1.00 0.00 H new ATOM 558 N VAL A 31 8.686 -1.170 -1.593 1.00 0.00 N ATOM 559 CA VAL A 31 7.334 -1.155 -0.969 1.00 0.00 C ATOM 560 C VAL A 31 6.499 -2.345 -1.453 1.00 0.00 C ATOM 561 O VAL A 31 6.418 -2.613 -2.636 1.00 0.00 O ATOM 562 CB VAL A 31 6.711 0.180 -1.408 1.00 0.00 C ATOM 563 CG1 VAL A 31 6.133 0.059 -2.816 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.588 0.568 -0.444 1.00 0.00 C ATOM 0 H VAL A 31 8.737 -1.595 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 31 7.379 -1.242 0.117 1.00 0.00 H new ATOM 0 HB VAL A 31 7.489 0.943 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.695 1.012 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.927 -0.209 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.364 -0.713 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.149 1.515 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.821 -0.207 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.993 0.673 0.563 1.00 0.00 H new ATOM 574 N THR A 32 5.856 -3.037 -0.560 1.00 0.00 N ATOM 575 CA THR A 32 5.006 -4.173 -0.988 1.00 0.00 C ATOM 576 C THR A 32 3.645 -4.040 -0.319 1.00 0.00 C ATOM 577 O THR A 32 3.520 -4.153 0.874 1.00 0.00 O ATOM 578 CB THR A 32 5.725 -5.435 -0.513 1.00 0.00 C ATOM 579 OG1 THR A 32 7.097 -5.367 -0.881 1.00 0.00 O ATOM 580 CG2 THR A 32 5.077 -6.664 -1.156 1.00 0.00 C ATOM 0 H THR A 32 5.883 -2.865 0.445 1.00 0.00 H new ATOM 0 HA THR A 32 4.850 -4.202 -2.066 1.00 0.00 H new ATOM 0 HB THR A 32 5.647 -5.513 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.651 -5.334 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.589 -7.565 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.027 -6.714 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.153 -6.590 -2.241 1.00 0.00 H new ATOM 588 N TRP A 33 2.625 -3.788 -1.076 1.00 0.00 N ATOM 589 CA TRP A 33 1.273 -3.635 -0.469 1.00 0.00 C ATOM 590 C TRP A 33 0.597 -5.005 -0.376 1.00 0.00 C ATOM 591 O TRP A 33 0.229 -5.591 -1.368 1.00 0.00 O ATOM 592 CB TRP A 33 0.519 -2.720 -1.427 1.00 0.00 C ATOM 593 CG TRP A 33 1.239 -1.419 -1.557 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.266 -1.193 -2.392 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.996 -0.172 -0.859 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.694 0.118 -2.242 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.934 0.791 -1.303 1.00 0.00 C ATOM 598 CE3 TRP A 33 0.063 0.202 0.111 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.939 2.092 -0.793 1.00 0.00 C ATOM 600 CZ3 TRP A 33 0.061 1.509 0.629 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.999 2.452 0.178 1.00 0.00 C ATOM 0 H TRP A 33 2.663 -3.680 -2.090 1.00 0.00 H new ATOM 0 HA TRP A 33 1.303 -3.224 0.540 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.430 -3.196 -2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.494 -2.551 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.691 -1.916 -3.072 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.470 0.532 -2.758 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.661 -0.517 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.662 2.813 -1.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.665 1.789 1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.994 3.454 0.581 1.00 0.00 H new ATOM 612 N LEU A 34 0.449 -5.529 0.811 1.00 0.00 N ATOM 613 CA LEU A 34 -0.189 -6.872 0.957 1.00 0.00 C ATOM 614 C LEU A 34 -0.849 -7.013 2.330 1.00 0.00 C ATOM 615 O LEU A 34 -0.503 -6.322 3.269 1.00 0.00 O ATOM 616 CB LEU A 34 0.954 -7.876 0.802 1.00 0.00 C ATOM 617 CG LEU A 34 1.992 -7.658 1.904 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.594 -9.003 2.312 1.00 0.00 C ATOM 619 CD2 LEU A 34 3.101 -6.744 1.382 1.00 0.00 C ATOM 0 H LEU A 34 0.741 -5.088 1.683 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.975 -7.031 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.565 -8.893 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.420 -7.761 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 34 1.513 -7.197 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.334 -8.847 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.805 -9.658 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.073 -9.464 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.842 -6.587 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.578 -7.208 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.674 -5.785 1.089 1.00 0.00 H new ATOM 631 N ARG A 35 -1.787 -7.909 2.462 1.00 0.00 N ATOM 632 CA ARG A 35 -2.449 -8.095 3.781 1.00 0.00 C ATOM 633 C ARG A 35 -3.149 -9.454 3.828 1.00 0.00 C ATOM 634 O ARG A 35 -3.110 -10.158 4.817 1.00 0.00 O ATOM 635 CB ARG A 35 -3.461 -6.953 3.877 1.00 0.00 C ATOM 636 CG ARG A 35 -4.351 -7.158 5.105 1.00 0.00 C ATOM 637 CD ARG A 35 -3.519 -7.020 6.381 1.00 0.00 C ATOM 638 NE ARG A 35 -4.112 -8.000 7.333 1.00 0.00 N ATOM 639 CZ ARG A 35 -3.365 -8.931 7.862 1.00 0.00 C ATOM 640 NH1 ARG A 35 -2.114 -8.683 8.137 1.00 0.00 N ATOM 641 NH2 ARG A 35 -3.871 -10.106 8.124 1.00 0.00 N ATOM 0 H ARG A 35 -2.122 -8.518 1.716 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.743 -8.078 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.941 -5.998 3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.071 -6.918 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.158 -6.426 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.815 -8.144 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.468 -7.238 6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.568 -6.006 6.777 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.102 -7.944 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.721 -7.763 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.529 -9.409 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.851 -10.297 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.286 -10.832 8.537 1.00 0.00 H new ATOM 655 N LYS A 36 -3.794 -9.817 2.756 1.00 0.00 N ATOM 656 CA LYS A 36 -4.517 -11.127 2.707 1.00 0.00 C ATOM 657 C LYS A 36 -5.214 -11.310 1.352 1.00 0.00 C ATOM 658 O LYS A 36 -5.453 -12.421 0.918 1.00 0.00 O ATOM 659 CB LYS A 36 -5.558 -11.063 3.826 1.00 0.00 C ATOM 660 CG LYS A 36 -5.429 -12.301 4.714 1.00 0.00 C ATOM 661 CD LYS A 36 -6.188 -12.068 6.021 1.00 0.00 C ATOM 662 CE LYS A 36 -6.846 -13.374 6.471 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.297 -13.188 6.193 1.00 0.00 N ATOM 0 H LYS A 36 -3.854 -9.261 1.903 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.832 -11.966 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.414 -10.160 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.561 -11.010 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.828 -13.175 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.379 -12.506 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.505 -11.709 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.945 -11.297 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.445 -14.227 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.668 -13.562 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.817 -14.043 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.652 -12.373 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.437 -13.018 5.177 1.00 0.00 H new ATOM 677 N GLY A 37 -5.553 -10.236 0.686 1.00 0.00 N ATOM 678 CA GLY A 37 -6.241 -10.352 -0.630 1.00 0.00 C ATOM 679 C GLY A 37 -5.220 -10.558 -1.757 1.00 0.00 C ATOM 680 O GLY A 37 -5.330 -9.966 -2.814 1.00 0.00 O ATOM 0 H GLY A 37 -5.381 -9.281 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.940 -11.188 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.825 -9.452 -0.821 1.00 0.00 H new ATOM 684 N GLN A 38 -4.228 -11.389 -1.555 1.00 0.00 N ATOM 685 CA GLN A 38 -3.215 -11.619 -2.627 1.00 0.00 C ATOM 686 C GLN A 38 -2.560 -10.292 -3.000 1.00 0.00 C ATOM 687 O GLN A 38 -2.886 -9.691 -4.002 1.00 0.00 O ATOM 688 CB GLN A 38 -3.996 -12.193 -3.811 1.00 0.00 C ATOM 689 CG GLN A 38 -3.115 -13.182 -4.576 1.00 0.00 C ATOM 690 CD GLN A 38 -2.805 -12.617 -5.963 1.00 0.00 C ATOM 691 OE1 GLN A 38 -3.638 -11.975 -6.569 1.00 0.00 O ATOM 692 NE2 GLN A 38 -1.631 -12.829 -6.493 1.00 0.00 N ATOM 0 H GLN A 38 -4.077 -11.917 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.421 -12.297 -2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.898 -12.692 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.316 -11.388 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.189 -13.361 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.622 -14.143 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.931 -13.369 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.413 -12.455 -7.417 1.00 0.00 H new ATOM 701 N VAL A 39 -1.648 -9.839 -2.177 1.00 0.00 N ATOM 702 CA VAL A 39 -0.945 -8.540 -2.423 1.00 0.00 C ATOM 703 C VAL A 39 -1.929 -7.455 -2.886 1.00 0.00 C ATOM 704 O VAL A 39 -3.130 -7.632 -2.866 1.00 0.00 O ATOM 705 CB VAL A 39 0.138 -8.818 -3.482 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.943 -10.058 -3.083 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.491 -9.051 -4.860 1.00 0.00 C ATOM 0 H VAL A 39 -1.355 -10.323 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.493 -8.160 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 39 0.793 -7.948 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.708 -10.252 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.418 -9.888 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.276 -10.918 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.294 -9.245 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.163 -9.908 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.053 -8.166 -5.158 1.00 0.00 H new ATOM 717 N LEU A 40 -1.419 -6.329 -3.285 1.00 0.00 N ATOM 718 CA LEU A 40 -2.300 -5.210 -3.737 1.00 0.00 C ATOM 719 C LEU A 40 -1.784 -4.665 -5.065 1.00 0.00 C ATOM 720 O LEU A 40 -2.542 -4.340 -5.956 1.00 0.00 O ATOM 721 CB LEU A 40 -2.165 -4.128 -2.659 1.00 0.00 C ATOM 722 CG LEU A 40 -3.199 -4.326 -1.548 1.00 0.00 C ATOM 723 CD1 LEU A 40 -2.913 -5.634 -0.824 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.088 -3.179 -0.539 1.00 0.00 C ATOM 0 H LEU A 40 -0.419 -6.129 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.333 -5.529 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.161 -4.156 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.294 -3.144 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.198 -4.346 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.647 -5.779 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.973 -6.462 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.913 -5.599 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.824 -3.319 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.087 -3.170 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.274 -2.231 -1.044 1.00 0.00 H new ATOM 736 N SER A 41 -0.486 -4.554 -5.176 1.00 0.00 N ATOM 737 CA SER A 41 0.156 -4.015 -6.414 1.00 0.00 C ATOM 738 C SER A 41 -0.552 -4.483 -7.683 1.00 0.00 C ATOM 739 O SER A 41 -0.225 -5.511 -8.242 1.00 0.00 O ATOM 740 CB SER A 41 1.579 -4.559 -6.376 1.00 0.00 C ATOM 741 OG SER A 41 1.538 -5.945 -6.062 1.00 0.00 O ATOM 0 H SER A 41 0.172 -4.821 -4.443 1.00 0.00 H new ATOM 0 HA SER A 41 0.113 -2.926 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.066 -4.406 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.167 -4.022 -5.632 1.00 0.00 H new ATOM 0 HG SER A 41 0.917 -6.400 -6.669 1.00 0.00 H new ATOM 747 N THR A 42 -1.499 -3.702 -8.144 1.00 0.00 N ATOM 748 CA THR A 42 -2.253 -4.025 -9.393 1.00 0.00 C ATOM 749 C THR A 42 -2.472 -5.538 -9.536 1.00 0.00 C ATOM 750 O THR A 42 -2.298 -6.110 -10.593 1.00 0.00 O ATOM 751 CB THR A 42 -1.382 -3.478 -10.531 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.346 -4.404 -10.823 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.766 -2.122 -10.142 1.00 0.00 C ATOM 0 H THR A 42 -1.786 -2.833 -7.694 1.00 0.00 H new ATOM 0 HA THR A 42 -3.249 -3.583 -9.394 1.00 0.00 H new ATOM 0 HB THR A 42 -2.009 -3.335 -11.411 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.739 -5.258 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.152 -1.752 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.562 -1.407 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.147 -2.245 -9.253 1.00 0.00 H new ATOM 761 N SER A 43 -2.840 -6.184 -8.463 1.00 0.00 N ATOM 762 CA SER A 43 -3.061 -7.657 -8.508 1.00 0.00 C ATOM 763 C SER A 43 -4.066 -8.020 -9.604 1.00 0.00 C ATOM 764 O SER A 43 -4.031 -9.101 -10.157 1.00 0.00 O ATOM 765 CB SER A 43 -3.617 -8.003 -7.131 1.00 0.00 C ATOM 766 OG SER A 43 -3.094 -9.256 -6.714 1.00 0.00 O ATOM 0 H SER A 43 -2.998 -5.752 -7.553 1.00 0.00 H new ATOM 0 HA SER A 43 -2.147 -8.206 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.350 -7.228 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.706 -8.044 -7.166 1.00 0.00 H new ATOM 0 HG SER A 43 -3.171 -9.335 -5.740 1.00 0.00 H new ATOM 772 N ALA A 44 -4.960 -7.123 -9.923 1.00 0.00 N ATOM 773 CA ALA A 44 -5.970 -7.410 -10.986 1.00 0.00 C ATOM 774 C ALA A 44 -6.876 -6.196 -11.182 1.00 0.00 C ATOM 775 O ALA A 44 -7.286 -5.879 -12.282 1.00 0.00 O ATOM 776 CB ALA A 44 -6.777 -8.603 -10.468 1.00 0.00 C ATOM 0 H ALA A 44 -5.036 -6.201 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.506 -7.627 -11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.540 -8.871 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.111 -9.452 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.255 -8.337 -9.525 1.00 0.00 H new ATOM 782 N ARG A 45 -7.184 -5.512 -10.119 1.00 0.00 N ATOM 783 CA ARG A 45 -8.061 -4.310 -10.224 1.00 0.00 C ATOM 784 C ARG A 45 -7.542 -3.177 -9.323 1.00 0.00 C ATOM 785 O ARG A 45 -8.172 -2.146 -9.185 1.00 0.00 O ATOM 786 CB ARG A 45 -9.443 -4.781 -9.764 1.00 0.00 C ATOM 787 CG ARG A 45 -9.342 -5.427 -8.379 1.00 0.00 C ATOM 788 CD ARG A 45 -10.620 -6.220 -8.094 1.00 0.00 C ATOM 789 NE ARG A 45 -10.371 -7.558 -8.703 1.00 0.00 N ATOM 790 CZ ARG A 45 -10.777 -8.644 -8.101 1.00 0.00 C ATOM 791 NH1 ARG A 45 -10.679 -8.755 -6.804 1.00 0.00 N ATOM 792 NH2 ARG A 45 -11.274 -9.627 -8.801 1.00 0.00 N ATOM 0 H ARG A 45 -6.866 -5.733 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.085 -3.911 -11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.132 -3.937 -9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.849 -5.496 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.475 -6.086 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.199 -4.660 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.807 -6.300 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.493 -5.739 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.881 -7.626 -9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.284 -7.991 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.998 -9.605 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.345 -9.546 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.592 -10.476 -8.334 1.00 0.00 H new ATOM 806 N HIS A 46 -6.399 -3.358 -8.714 1.00 0.00 N ATOM 807 CA HIS A 46 -5.838 -2.302 -7.836 1.00 0.00 C ATOM 808 C HIS A 46 -4.887 -1.424 -8.656 1.00 0.00 C ATOM 809 O HIS A 46 -4.655 -1.679 -9.821 1.00 0.00 O ATOM 810 CB HIS A 46 -5.062 -3.079 -6.771 1.00 0.00 C ATOM 811 CG HIS A 46 -5.964 -4.087 -6.104 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.021 -5.457 -6.179 1.00 0.00 N flip ATOM 813 CD2 HIS A 46 -6.966 -3.717 -5.221 1.00 0.00 C flip ATOM 814 CE1 HIS A 46 -7.039 -5.930 -5.356 1.00 0.00 C flip ATOM 815 NE2 HIS A 46 -7.574 -4.840 -4.802 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.830 -4.201 -8.791 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.595 -1.649 -7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.212 -3.586 -7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.661 -2.390 -6.027 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.410 -6.040 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.213 -2.709 -4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.333 -6.957 -5.199 1.00 0.00 H new ATOM 823 N GLN A 47 -4.326 -0.402 -8.069 1.00 0.00 N ATOM 824 CA GLN A 47 -3.390 0.460 -8.842 1.00 0.00 C ATOM 825 C GLN A 47 -2.321 1.035 -7.918 1.00 0.00 C ATOM 826 O GLN A 47 -2.503 2.071 -7.318 1.00 0.00 O ATOM 827 CB GLN A 47 -4.256 1.579 -9.416 1.00 0.00 C ATOM 828 CG GLN A 47 -3.956 1.739 -10.909 1.00 0.00 C ATOM 829 CD GLN A 47 -2.462 2.004 -11.122 1.00 0.00 C ATOM 830 OE1 GLN A 47 -1.786 2.652 -10.212 1.00 0.00 O flip ATOM 831 NE2 GLN A 47 -1.903 1.618 -12.130 1.00 0.00 N flip ATOM 0 H GLN A 47 -4.474 -0.129 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.873 -0.095 -9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.311 1.349 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.057 2.514 -8.892 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.253 0.838 -11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.541 2.562 -11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.429 1.112 -12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.908 1.801 -12.263 1.00 0.00 H new ATOM 840 N VAL A 48 -1.202 0.377 -7.798 1.00 0.00 N ATOM 841 CA VAL A 48 -0.135 0.915 -6.909 1.00 0.00 C ATOM 842 C VAL A 48 1.001 1.499 -7.755 1.00 0.00 C ATOM 843 O VAL A 48 1.133 1.215 -8.929 1.00 0.00 O ATOM 844 CB VAL A 48 0.325 -0.278 -6.037 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.782 -0.684 -6.325 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.207 0.115 -4.566 1.00 0.00 C ATOM 0 H VAL A 48 -0.981 -0.500 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.484 1.729 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.312 -1.130 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.058 -1.525 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.879 -0.974 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.442 0.159 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.528 -0.718 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.838 0.982 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.830 0.362 -4.337 1.00 0.00 H new ATOM 856 N THR A 49 1.821 2.303 -7.155 1.00 0.00 N ATOM 857 CA THR A 49 2.962 2.907 -7.897 1.00 0.00 C ATOM 858 C THR A 49 4.109 3.205 -6.931 1.00 0.00 C ATOM 859 O THR A 49 3.987 4.023 -6.042 1.00 0.00 O ATOM 860 CB THR A 49 2.414 4.200 -8.508 1.00 0.00 C ATOM 861 OG1 THR A 49 3.489 4.963 -9.038 1.00 0.00 O ATOM 862 CG2 THR A 49 1.695 5.011 -7.433 1.00 0.00 C ATOM 0 H THR A 49 1.753 2.573 -6.174 1.00 0.00 H new ATOM 0 HA THR A 49 3.355 2.241 -8.665 1.00 0.00 H new ATOM 0 HB THR A 49 1.712 3.955 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.140 5.790 -9.431 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.306 5.931 -7.870 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.871 4.426 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.394 5.257 -6.634 1.00 0.00 H new ATOM 870 N THR A 50 5.221 2.551 -7.091 1.00 0.00 N ATOM 871 CA THR A 50 6.365 2.809 -6.176 1.00 0.00 C ATOM 872 C THR A 50 7.424 3.644 -6.902 1.00 0.00 C ATOM 873 O THR A 50 7.689 3.439 -8.070 1.00 0.00 O ATOM 874 CB THR A 50 6.912 1.428 -5.826 1.00 0.00 C ATOM 875 OG1 THR A 50 5.836 0.584 -5.439 1.00 0.00 O ATOM 876 CG2 THR A 50 7.903 1.553 -4.673 1.00 0.00 C ATOM 0 H THR A 50 5.389 1.851 -7.813 1.00 0.00 H new ATOM 0 HA THR A 50 6.074 3.363 -5.283 1.00 0.00 H new ATOM 0 HB THR A 50 7.417 1.002 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.109 -0.353 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.295 0.567 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.725 2.206 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.399 1.975 -3.804 1.00 0.00 H new ATOM 884 N THR A 51 8.029 4.588 -6.233 1.00 0.00 N ATOM 885 CA THR A 51 9.057 5.428 -6.907 1.00 0.00 C ATOM 886 C THR A 51 10.410 5.294 -6.186 1.00 0.00 C ATOM 887 O THR A 51 10.797 4.216 -5.780 1.00 0.00 O ATOM 888 CB THR A 51 8.497 6.859 -6.838 1.00 0.00 C ATOM 889 OG1 THR A 51 9.225 7.699 -7.722 1.00 0.00 O ATOM 890 CG2 THR A 51 8.598 7.407 -5.411 1.00 0.00 C ATOM 0 H THR A 51 7.856 4.812 -5.253 1.00 0.00 H new ATOM 0 HA THR A 51 9.244 5.130 -7.939 1.00 0.00 H new ATOM 0 HB THR A 51 7.448 6.838 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.866 8.610 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.197 8.420 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.026 6.771 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.642 7.421 -5.100 1.00 0.00 H new ATOM 898 N LYS A 52 11.135 6.369 -6.033 1.00 0.00 N ATOM 899 CA LYS A 52 12.458 6.286 -5.355 1.00 0.00 C ATOM 900 C LYS A 52 12.312 5.788 -3.907 1.00 0.00 C ATOM 901 O LYS A 52 12.374 4.602 -3.649 1.00 0.00 O ATOM 902 CB LYS A 52 13.009 7.712 -5.401 1.00 0.00 C ATOM 903 CG LYS A 52 13.182 8.142 -6.858 1.00 0.00 C ATOM 904 CD LYS A 52 14.477 8.943 -7.002 1.00 0.00 C ATOM 905 CE LYS A 52 15.367 8.294 -8.066 1.00 0.00 C ATOM 906 NZ LYS A 52 15.768 6.980 -7.489 1.00 0.00 N ATOM 0 H LYS A 52 10.867 7.301 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 52 13.125 5.575 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.330 8.393 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.965 7.761 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.209 7.266 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.331 8.746 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.251 9.972 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.002 8.980 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.828 8.164 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.238 8.912 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.712 6.721 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.790 7.049 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.082 6.252 -7.773 1.00 0.00 H new ATOM 920 N TYR A 53 12.124 6.669 -2.957 1.00 0.00 N ATOM 921 CA TYR A 53 11.995 6.211 -1.541 1.00 0.00 C ATOM 922 C TYR A 53 10.567 6.376 -1.042 1.00 0.00 C ATOM 923 O TYR A 53 10.342 6.478 0.139 1.00 0.00 O ATOM 924 CB TYR A 53 12.896 7.122 -0.709 1.00 0.00 C ATOM 925 CG TYR A 53 14.319 7.108 -1.222 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.629 7.704 -2.448 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.334 6.511 -0.460 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.944 7.704 -2.920 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.652 6.512 -0.931 1.00 0.00 C ATOM 930 CZ TYR A 53 16.957 7.108 -2.162 1.00 0.00 C ATOM 931 OH TYR A 53 18.257 7.107 -2.626 1.00 0.00 O ATOM 0 H TYR A 53 12.055 7.677 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 53 12.268 5.159 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.509 8.141 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.880 6.800 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.848 8.167 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.099 6.051 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.178 8.164 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.435 6.053 -0.345 1.00 0.00 H new ATOM 0 HH TYR A 53 18.835 6.654 -1.978 1.00 0.00 H new ATOM 941 N LYS A 54 9.604 6.425 -1.909 1.00 0.00 N ATOM 942 CA LYS A 54 8.200 6.612 -1.427 1.00 0.00 C ATOM 943 C LYS A 54 7.215 5.909 -2.356 1.00 0.00 C ATOM 944 O LYS A 54 7.370 5.911 -3.556 1.00 0.00 O ATOM 945 CB LYS A 54 7.929 8.134 -1.403 1.00 0.00 C ATOM 946 CG LYS A 54 8.907 8.903 -2.310 1.00 0.00 C ATOM 947 CD LYS A 54 8.344 10.295 -2.597 1.00 0.00 C ATOM 948 CE LYS A 54 7.369 10.222 -3.774 1.00 0.00 C ATOM 949 NZ LYS A 54 7.305 11.613 -4.303 1.00 0.00 N ATOM 0 H LYS A 54 9.717 6.346 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 54 8.073 6.180 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.906 8.326 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.015 8.502 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.881 8.985 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.059 8.360 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.835 10.682 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.155 10.986 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.720 9.525 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.387 9.875 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.655 11.646 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.962 12.252 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.253 11.913 -4.607 1.00 0.00 H new ATOM 963 N SER A 55 6.198 5.312 -1.808 1.00 0.00 N ATOM 964 CA SER A 55 5.205 4.615 -2.663 1.00 0.00 C ATOM 965 C SER A 55 3.839 5.263 -2.525 1.00 0.00 C ATOM 966 O SER A 55 3.612 6.092 -1.672 1.00 0.00 O ATOM 967 CB SER A 55 5.144 3.180 -2.150 1.00 0.00 C ATOM 968 OG SER A 55 4.556 2.374 -3.155 1.00 0.00 O ATOM 0 H SER A 55 6.012 5.277 -0.806 1.00 0.00 H new ATOM 0 HA SER A 55 5.489 4.662 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.144 2.819 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.559 3.129 -1.232 1.00 0.00 H new ATOM 0 HG SER A 55 3.580 2.440 -3.097 1.00 0.00 H new ATOM 974 N THR A 56 2.929 4.880 -3.363 1.00 0.00 N ATOM 975 CA THR A 56 1.568 5.455 -3.294 1.00 0.00 C ATOM 976 C THR A 56 0.566 4.426 -3.800 1.00 0.00 C ATOM 977 O THR A 56 0.750 3.828 -4.841 1.00 0.00 O ATOM 978 CB THR A 56 1.617 6.677 -4.206 1.00 0.00 C ATOM 979 OG1 THR A 56 2.441 6.395 -5.325 1.00 0.00 O ATOM 980 CG2 THR A 56 2.207 7.855 -3.441 1.00 0.00 C ATOM 0 H THR A 56 3.070 4.188 -4.099 1.00 0.00 H new ATOM 0 HA THR A 56 1.264 5.728 -2.284 1.00 0.00 H new ATOM 0 HB THR A 56 0.609 6.921 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.360 7.118 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.243 8.729 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.585 8.073 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.216 7.606 -3.111 1.00 0.00 H new ATOM 988 N PHE A 57 -0.480 4.193 -3.066 1.00 0.00 N ATOM 989 CA PHE A 57 -1.467 3.182 -3.516 1.00 0.00 C ATOM 990 C PHE A 57 -2.857 3.797 -3.664 1.00 0.00 C ATOM 991 O PHE A 57 -3.394 4.379 -2.749 1.00 0.00 O ATOM 992 CB PHE A 57 -1.459 2.111 -2.423 1.00 0.00 C ATOM 993 CG PHE A 57 -2.544 1.091 -2.688 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.850 0.709 -4.001 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.240 0.522 -1.616 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.849 -0.237 -4.241 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.238 -0.426 -1.856 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.544 -0.808 -3.168 1.00 0.00 C ATOM 0 H PHE A 57 -0.693 4.654 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.213 2.773 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.487 1.619 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.614 2.574 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.312 1.147 -4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.006 0.815 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.085 -0.528 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.775 -0.865 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.315 -1.542 -3.352 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.450 3.641 -4.808 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.817 4.187 -5.022 1.00 0.00 C ATOM 1010 C GLU A 58 -5.692 3.091 -5.634 1.00 0.00 C ATOM 1011 O GLU A 58 -5.295 2.425 -6.570 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.640 5.359 -5.992 1.00 0.00 C ATOM 1013 CG GLU A 58 -3.938 4.877 -7.263 1.00 0.00 C ATOM 1014 CD GLU A 58 -2.607 5.616 -7.423 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -2.509 6.733 -6.942 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -1.709 5.051 -8.024 1.00 0.00 O ATOM 0 H GLU A 58 -3.047 3.157 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.297 4.517 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.611 5.787 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.056 6.149 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.765 3.802 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.572 5.056 -8.131 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.869 2.877 -5.113 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.731 1.797 -5.681 1.00 0.00 C ATOM 1025 C ILE A 59 -8.717 2.379 -6.699 1.00 0.00 C ATOM 1026 O ILE A 59 -9.116 3.523 -6.612 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.443 1.184 -4.474 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.378 0.730 -3.459 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.278 -0.016 -4.932 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -8.013 -0.085 -2.328 1.00 0.00 C ATOM 0 H ILE A 59 -7.269 3.394 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.160 1.043 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.104 1.916 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.621 0.130 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.870 1.601 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.786 -0.455 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.017 0.313 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.625 -0.761 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.240 -0.394 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.752 0.526 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.499 -0.968 -2.744 1.00 0.00 H new ATOM 1042 N SER A 60 -9.086 1.601 -7.681 1.00 0.00 N ATOM 1043 CA SER A 60 -10.018 2.102 -8.736 1.00 0.00 C ATOM 1044 C SER A 60 -11.393 1.441 -8.622 1.00 0.00 C ATOM 1045 O SER A 60 -12.410 2.102 -8.653 1.00 0.00 O ATOM 1046 CB SER A 60 -9.357 1.709 -10.052 1.00 0.00 C ATOM 1047 OG SER A 60 -9.519 0.311 -10.252 1.00 0.00 O ATOM 0 H SER A 60 -8.781 0.635 -7.799 1.00 0.00 H new ATOM 0 HA SER A 60 -10.184 3.176 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.805 2.262 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.298 1.966 -10.033 1.00 0.00 H new ATOM 0 HG SER A 60 -8.855 -0.175 -9.719 1.00 0.00 H new ATOM 1053 N SER A 61 -11.440 0.142 -8.503 1.00 0.00 N ATOM 1054 CA SER A 61 -12.764 -0.539 -8.400 1.00 0.00 C ATOM 1055 C SER A 61 -12.730 -1.664 -7.359 1.00 0.00 C ATOM 1056 O SER A 61 -13.690 -1.875 -6.647 1.00 0.00 O ATOM 1057 CB SER A 61 -13.031 -1.105 -9.791 1.00 0.00 C ATOM 1058 OG SER A 61 -14.033 -0.323 -10.426 1.00 0.00 O ATOM 0 H SER A 61 -10.627 -0.473 -8.473 1.00 0.00 H new ATOM 0 HA SER A 61 -13.545 0.151 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.116 -1.096 -10.383 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.354 -2.144 -9.719 1.00 0.00 H new ATOM 0 HG SER A 61 -14.724 -0.084 -9.773 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.635 -2.383 -7.277 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.510 -3.511 -6.290 1.00 0.00 C ATOM 1066 C VAL A 62 -12.818 -4.300 -6.158 1.00 0.00 C ATOM 1067 O VAL A 62 -13.252 -4.625 -5.071 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.123 -2.853 -4.959 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -12.275 -2.003 -4.422 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -10.782 -3.940 -3.939 1.00 0.00 C ATOM 0 H VAL A 62 -10.810 -2.236 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.763 -4.236 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.260 -2.209 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.980 -1.545 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.518 -1.223 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.149 -2.634 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.506 -3.476 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.649 -4.583 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.947 -4.536 -4.308 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.727 -7.164 0.680 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.772 -6.677 2.104 1.00 0.00 C ATOM 1132 C GLU A 67 -12.177 -5.271 2.274 1.00 0.00 C ATOM 1133 O GLU A 67 -12.166 -4.475 1.357 1.00 0.00 O ATOM 1134 CB GLU A 67 -12.007 -7.716 2.931 1.00 0.00 C ATOM 1135 CG GLU A 67 -10.683 -8.085 2.260 1.00 0.00 C ATOM 1136 CD GLU A 67 -10.917 -9.191 1.223 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -11.979 -9.791 1.255 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -10.030 -9.415 0.417 1.00 0.00 O ATOM 0 HA GLU A 67 -13.805 -6.580 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.815 -7.322 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.618 -8.610 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.252 -7.207 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.966 -8.422 3.009 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.719 -4.937 3.449 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.188 -3.581 3.657 1.00 0.00 C ATOM 1147 C GLY A 68 -9.800 -3.594 4.271 1.00 0.00 C ATOM 1148 O GLY A 68 -9.171 -2.593 4.310 1.00 0.00 O ATOM 0 H GLY A 68 -11.694 -5.549 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.156 -3.055 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.864 -3.024 4.305 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.311 -4.681 4.769 1.00 0.00 N ATOM 1153 CA ASN A 69 -7.952 -4.631 5.387 1.00 0.00 C ATOM 1154 C ASN A 69 -6.839 -4.875 4.362 1.00 0.00 C ATOM 1155 O ASN A 69 -6.748 -5.916 3.741 1.00 0.00 O ATOM 1156 CB ASN A 69 -7.953 -5.721 6.437 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.271 -5.120 7.805 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -9.130 -4.270 7.923 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -7.608 -5.528 8.852 1.00 0.00 N ATOM 0 H ASN A 69 -9.774 -5.590 4.781 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.753 -3.645 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.691 -6.482 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.982 -6.215 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.811 -5.133 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.887 -6.242 8.752 1.00 0.00 H new ATOM 1166 N TYR A 70 -5.982 -3.902 4.218 1.00 0.00 N ATOM 1167 CA TYR A 70 -4.823 -4.001 3.278 1.00 0.00 C ATOM 1168 C TYR A 70 -3.599 -3.361 3.946 1.00 0.00 C ATOM 1169 O TYR A 70 -3.746 -2.513 4.800 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.233 -3.182 2.057 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.059 -4.027 1.125 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.644 -5.320 0.789 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.245 -3.508 0.595 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.420 -6.096 -0.082 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.021 -4.282 -0.274 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.608 -5.577 -0.612 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.370 -6.340 -1.467 1.00 0.00 O ATOM 0 H TYR A 70 -6.036 -3.019 4.725 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.575 -5.029 3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.803 -2.307 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.346 -2.816 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.728 -5.719 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.562 -2.509 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.102 -7.094 -0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.937 -3.882 -0.684 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.161 -5.831 -1.742 1.00 0.00 H new ATOM 1187 N SER A 71 -2.393 -3.735 3.593 1.00 0.00 N ATOM 1188 CA SER A 71 -1.229 -3.083 4.268 1.00 0.00 C ATOM 1189 C SER A 71 -0.040 -2.908 3.324 1.00 0.00 C ATOM 1190 O SER A 71 -0.132 -3.132 2.134 1.00 0.00 O ATOM 1191 CB SER A 71 -0.841 -3.987 5.438 1.00 0.00 C ATOM 1192 OG SER A 71 -1.737 -5.090 5.535 1.00 0.00 O ATOM 0 H SER A 71 -2.168 -4.440 2.891 1.00 0.00 H new ATOM 0 HA SER A 71 -1.507 -2.083 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.178 -4.350 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.856 -3.416 6.367 1.00 0.00 H new ATOM 0 HG SER A 71 -1.267 -5.916 5.295 1.00 0.00 H new ATOM 1198 N VAL A 72 1.079 -2.493 3.861 1.00 0.00 N ATOM 1199 CA VAL A 72 2.291 -2.285 3.010 1.00 0.00 C ATOM 1200 C VAL A 72 3.570 -2.551 3.807 1.00 0.00 C ATOM 1201 O VAL A 72 3.982 -1.754 4.623 1.00 0.00 O ATOM 1202 CB VAL A 72 2.232 -0.814 2.585 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.119 0.065 3.829 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.507 -0.433 1.815 1.00 0.00 C ATOM 0 H VAL A 72 1.206 -2.289 4.852 1.00 0.00 H new ATOM 0 HA VAL A 72 2.305 -2.964 2.157 1.00 0.00 H new ATOM 0 HB VAL A 72 1.366 -0.665 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.077 1.113 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.213 -0.194 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.987 -0.096 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.453 0.614 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.377 -0.585 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.596 -1.058 0.926 1.00 0.00 H new ATOM 1214 N VAL A 73 4.213 -3.653 3.556 1.00 0.00 N ATOM 1215 CA VAL A 73 5.475 -3.954 4.282 1.00 0.00 C ATOM 1216 C VAL A 73 6.653 -3.360 3.515 1.00 0.00 C ATOM 1217 O VAL A 73 7.164 -3.942 2.579 1.00 0.00 O ATOM 1218 CB VAL A 73 5.586 -5.481 4.337 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.424 -6.053 5.150 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.556 -6.068 2.929 1.00 0.00 C ATOM 0 H VAL A 73 3.920 -4.359 2.880 1.00 0.00 H new ATOM 0 HA VAL A 73 5.480 -3.528 5.285 1.00 0.00 H new ATOM 0 HB VAL A 73 6.531 -5.745 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.506 -7.139 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.456 -5.652 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.480 -5.776 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.636 -7.154 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.619 -5.798 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.392 -5.672 2.352 1.00 0.00 H new ATOM 1230 N VAL A 74 7.081 -2.197 3.911 1.00 0.00 N ATOM 1231 CA VAL A 74 8.220 -1.538 3.221 1.00 0.00 C ATOM 1232 C VAL A 74 9.534 -1.996 3.872 1.00 0.00 C ATOM 1233 O VAL A 74 9.727 -1.857 5.063 1.00 0.00 O ATOM 1234 CB VAL A 74 7.945 -0.030 3.421 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.234 0.753 3.740 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.324 0.530 2.140 1.00 0.00 C ATOM 0 H VAL A 74 6.687 -1.670 4.690 1.00 0.00 H new ATOM 0 HA VAL A 74 8.313 -1.781 2.163 1.00 0.00 H new ATOM 0 HB VAL A 74 7.268 0.083 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.995 1.808 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.679 0.364 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.940 0.642 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.125 1.594 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.014 0.387 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.390 0.008 1.930 1.00 0.00 H new ATOM 1246 N GLU A 75 10.435 -2.537 3.105 1.00 0.00 N ATOM 1247 CA GLU A 75 11.729 -2.998 3.686 1.00 0.00 C ATOM 1248 C GLU A 75 12.850 -2.825 2.661 1.00 0.00 C ATOM 1249 O GLU A 75 12.620 -2.382 1.557 1.00 0.00 O ATOM 1250 CB GLU A 75 11.504 -4.476 4.003 1.00 0.00 C ATOM 1251 CG GLU A 75 11.121 -5.222 2.728 1.00 0.00 C ATOM 1252 CD GLU A 75 9.601 -5.406 2.684 1.00 0.00 C ATOM 1253 OE1 GLU A 75 9.030 -5.691 3.723 1.00 0.00 O ATOM 1254 OE2 GLU A 75 9.035 -5.258 1.613 1.00 0.00 O ATOM 0 H GLU A 75 10.334 -2.681 2.100 1.00 0.00 H new ATOM 0 HA GLU A 75 12.021 -2.433 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.409 -4.908 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.716 -4.582 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.457 -4.665 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.617 -6.192 2.698 1.00 0.00 H new ATOM 1261 N ASN A 76 14.065 -3.164 3.006 1.00 0.00 N ATOM 1262 CA ASN A 76 15.179 -3.006 2.018 1.00 0.00 C ATOM 1263 C ASN A 76 16.495 -3.583 2.576 1.00 0.00 C ATOM 1264 O ASN A 76 16.492 -4.613 3.217 1.00 0.00 O ATOM 1265 CB ASN A 76 15.282 -1.494 1.772 1.00 0.00 C ATOM 1266 CG ASN A 76 15.842 -1.242 0.367 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.957 -0.575 0.237 1.00 0.00 O flip ATOM 1268 ND2 ASN A 76 15.260 -1.654 -0.617 1.00 0.00 N flip ATOM 0 H ASN A 76 14.334 -3.539 3.916 1.00 0.00 H new ATOM 0 HA ASN A 76 14.989 -3.549 1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.301 -1.031 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.929 -1.036 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.389 -2.175 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.642 -1.479 -1.546 1.00 0.00 H new ATOM 1275 N SER A 77 17.609 -2.923 2.308 1.00 0.00 N ATOM 1276 CA SER A 77 18.972 -3.378 2.771 1.00 0.00 C ATOM 1277 C SER A 77 18.929 -4.370 3.934 1.00 0.00 C ATOM 1278 O SER A 77 19.407 -5.483 3.836 1.00 0.00 O ATOM 1279 CB SER A 77 19.681 -2.091 3.208 1.00 0.00 C ATOM 1280 OG SER A 77 18.715 -1.096 3.541 1.00 0.00 O ATOM 0 H SER A 77 17.628 -2.058 1.768 1.00 0.00 H new ATOM 0 HA SER A 77 19.481 -3.912 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.321 -2.291 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.326 -1.731 2.407 1.00 0.00 H new ATOM 0 HG SER A 77 19.040 -0.216 3.256 1.00 0.00 H new ATOM 1286 N GLU A 78 18.373 -3.971 5.026 1.00 0.00 N ATOM 1287 CA GLU A 78 18.308 -4.887 6.206 1.00 0.00 C ATOM 1288 C GLU A 78 17.214 -4.443 7.178 1.00 0.00 C ATOM 1289 O GLU A 78 17.197 -4.832 8.328 1.00 0.00 O ATOM 1290 CB GLU A 78 19.682 -4.785 6.871 1.00 0.00 C ATOM 1291 CG GLU A 78 19.990 -3.325 7.203 1.00 0.00 C ATOM 1292 CD GLU A 78 21.502 -3.135 7.323 1.00 0.00 C ATOM 1293 OE1 GLU A 78 22.226 -3.923 6.737 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.911 -2.205 7.997 1.00 0.00 O ATOM 0 H GLU A 78 17.956 -3.051 5.166 1.00 0.00 H new ATOM 0 HA GLU A 78 18.070 -5.909 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.702 -5.386 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.448 -5.186 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.592 -2.673 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.503 -3.043 8.136 1.00 0.00 H new ATOM 1301 N GLY A 79 16.298 -3.641 6.724 1.00 0.00 N ATOM 1302 CA GLY A 79 15.205 -3.187 7.617 1.00 0.00 C ATOM 1303 C GLY A 79 13.896 -3.775 7.108 1.00 0.00 C ATOM 1304 O GLY A 79 13.765 -4.081 5.940 1.00 0.00 O ATOM 0 H GLY A 79 16.260 -3.280 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.393 -3.509 8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.153 -2.098 7.630 1.00 0.00 H new ATOM 1308 N LYS A 80 12.926 -3.942 7.958 1.00 0.00 N ATOM 1309 CA LYS A 80 11.637 -4.517 7.485 1.00 0.00 C ATOM 1310 C LYS A 80 10.460 -3.878 8.233 1.00 0.00 C ATOM 1311 O LYS A 80 9.934 -4.440 9.173 1.00 0.00 O ATOM 1312 CB LYS A 80 11.734 -6.008 7.810 1.00 0.00 C ATOM 1313 CG LYS A 80 11.467 -6.830 6.547 1.00 0.00 C ATOM 1314 CD LYS A 80 10.004 -7.281 6.532 1.00 0.00 C ATOM 1315 CE LYS A 80 9.934 -8.773 6.193 1.00 0.00 C ATOM 1316 NZ LYS A 80 9.239 -8.834 4.877 1.00 0.00 N ATOM 0 H LYS A 80 12.967 -3.709 8.950 1.00 0.00 H new ATOM 0 HA LYS A 80 11.468 -4.337 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.723 -6.240 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.013 -6.269 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.684 -6.235 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.126 -7.697 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.545 -7.096 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.442 -6.703 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.930 -9.212 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.386 -9.326 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.152 -9.826 4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.291 -8.415 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.788 -8.304 4.170 1.00 0.00 H new ATOM 1330 N GLN A 81 10.037 -2.712 7.822 1.00 0.00 N ATOM 1331 CA GLN A 81 8.890 -2.048 8.512 1.00 0.00 C ATOM 1332 C GLN A 81 7.656 -2.042 7.599 1.00 0.00 C ATOM 1333 O GLN A 81 7.730 -2.410 6.444 1.00 0.00 O ATOM 1334 CB GLN A 81 9.361 -0.622 8.796 1.00 0.00 C ATOM 1335 CG GLN A 81 8.307 0.099 9.638 1.00 0.00 C ATOM 1336 CD GLN A 81 8.944 1.291 10.351 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.073 1.221 10.793 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.257 2.391 10.479 1.00 0.00 N ATOM 0 H GLN A 81 10.434 -2.191 7.040 1.00 0.00 H new ATOM 0 HA GLN A 81 8.604 -2.566 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.315 -0.640 9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.524 -0.087 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.489 0.438 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.879 -0.588 10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.309 2.446 10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.667 3.196 10.952 1.00 0.00 H new ATOM 1347 N GLU A 82 6.520 -1.643 8.111 1.00 0.00 N ATOM 1348 CA GLU A 82 5.288 -1.633 7.267 1.00 0.00 C ATOM 1349 C GLU A 82 4.321 -0.534 7.713 1.00 0.00 C ATOM 1350 O GLU A 82 4.613 0.264 8.583 1.00 0.00 O ATOM 1351 CB GLU A 82 4.666 -3.018 7.484 1.00 0.00 C ATOM 1352 CG GLU A 82 4.186 -3.157 8.934 1.00 0.00 C ATOM 1353 CD GLU A 82 2.659 -3.034 8.989 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.077 -2.639 7.990 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.098 -3.336 10.029 1.00 0.00 O ATOM 0 H GLU A 82 6.393 -1.325 9.072 1.00 0.00 H new ATOM 0 HA GLU A 82 5.511 -1.432 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.829 -3.161 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.398 -3.794 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.497 -4.120 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.645 -2.387 9.554 1.00 0.00 H new ATOM 1362 N ALA A 83 3.168 -0.507 7.116 1.00 0.00 N ATOM 1363 CA ALA A 83 2.141 0.509 7.471 1.00 0.00 C ATOM 1364 C ALA A 83 0.768 -0.114 7.251 1.00 0.00 C ATOM 1365 O ALA A 83 0.379 -0.396 6.136 1.00 0.00 O ATOM 1366 CB ALA A 83 2.374 1.672 6.507 1.00 0.00 C ATOM 0 H ALA A 83 2.887 -1.158 6.383 1.00 0.00 H new ATOM 0 HA ALA A 83 2.200 0.847 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.651 2.462 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.384 2.060 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.254 1.324 5.481 1.00 0.00 H new ATOM 1372 N GLU A 84 0.047 -0.373 8.301 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.276 -1.027 8.134 1.00 0.00 C ATOM 1374 C GLU A 84 -2.402 -0.002 7.957 1.00 0.00 C ATOM 1375 O GLU A 84 -2.370 1.092 8.485 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.481 -1.836 9.414 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.933 -3.252 9.216 1.00 0.00 C ATOM 1378 CD GLU A 84 -1.933 -4.087 8.412 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.836 -3.503 7.834 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -1.775 -5.296 8.380 1.00 0.00 O ATOM 0 H GLU A 84 0.314 -0.162 9.263 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.300 -1.649 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.974 -1.352 10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.541 -1.877 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.023 -3.212 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.750 -3.720 10.183 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.397 -0.386 7.213 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.576 0.486 6.952 1.00 0.00 C ATOM 1389 C PHE A 85 -5.668 -0.398 6.365 1.00 0.00 C ATOM 1390 O PHE A 85 -5.457 -1.572 6.154 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.103 1.519 5.924 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.646 0.820 4.662 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.590 0.317 3.755 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.279 0.677 4.396 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.164 -0.329 2.587 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.856 0.031 3.226 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.799 -0.470 2.324 1.00 0.00 C ATOM 0 H PHE A 85 -3.444 -1.298 6.759 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.963 0.983 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.912 2.212 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.286 2.110 6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.645 0.428 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.550 1.064 5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.891 -0.718 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.801 -0.080 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.472 -0.967 1.422 1.00 0.00 H new ATOM 1407 N THR A 86 -6.825 0.125 6.096 1.00 0.00 N ATOM 1408 CA THR A 86 -7.873 -0.747 5.516 1.00 0.00 C ATOM 1409 C THR A 86 -8.761 0.018 4.525 1.00 0.00 C ATOM 1410 O THR A 86 -9.409 0.987 4.864 1.00 0.00 O ATOM 1411 CB THR A 86 -8.694 -1.268 6.700 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.446 -0.203 7.263 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.769 -1.865 7.761 1.00 0.00 C ATOM 0 H THR A 86 -7.088 1.099 6.249 1.00 0.00 H new ATOM 0 HA THR A 86 -7.428 -1.564 4.949 1.00 0.00 H new ATOM 0 HB THR A 86 -9.373 -2.045 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.592 0.489 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.364 -2.232 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.204 -2.690 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.079 -1.099 8.115 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.805 -0.447 3.300 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.659 0.187 2.260 1.00 0.00 C ATOM 1423 C LEU A 87 -10.855 -0.719 2.030 1.00 0.00 C ATOM 1424 O LEU A 87 -10.798 -1.676 1.285 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.776 0.243 1.021 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.792 1.436 1.050 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -7.835 2.241 2.362 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.371 0.901 0.849 1.00 0.00 C ATOM 0 H LEU A 87 -8.273 -1.255 2.976 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.027 1.178 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.213 -0.687 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.405 0.316 0.133 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.092 2.115 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.119 3.061 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.837 2.643 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.579 1.589 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.664 1.730 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.129 0.201 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.307 0.390 -0.112 1.00 0.00 H new ATOM 1440 N THR A 88 -11.915 -0.428 2.704 1.00 0.00 N ATOM 1441 CA THR A 88 -13.143 -1.284 2.617 1.00 0.00 C ATOM 1442 C THR A 88 -14.073 -0.860 1.486 1.00 0.00 C ATOM 1443 O THR A 88 -13.949 0.203 0.906 1.00 0.00 O ATOM 1444 CB THR A 88 -13.851 -1.097 3.966 1.00 0.00 C ATOM 1445 OG1 THR A 88 -12.909 -0.712 4.961 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.519 -2.411 4.374 1.00 0.00 C ATOM 0 H THR A 88 -11.998 0.376 3.326 1.00 0.00 H new ATOM 0 HA THR A 88 -12.874 -2.320 2.409 1.00 0.00 H new ATOM 0 HB THR A 88 -14.605 -0.316 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.369 -0.593 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.023 -2.281 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.248 -2.699 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.763 -3.191 4.465 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.026 -1.701 1.197 1.00 0.00 N ATOM 1455 CA ILE A 89 -16.008 -1.399 0.130 1.00 0.00 C ATOM 1456 C ILE A 89 -17.425 -1.586 0.685 1.00 0.00 C ATOM 1457 O ILE A 89 -17.642 -1.508 1.878 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.721 -2.377 -1.025 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.769 -3.838 -0.524 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -14.355 -2.059 -1.646 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.485 -4.220 0.201 1.00 0.00 C ATOM 0 H ILE A 89 -15.164 -2.597 1.664 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.928 -0.372 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.490 -2.259 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.619 -3.967 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.925 -4.509 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.156 -2.753 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.358 -1.039 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.578 -2.159 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.552 -5.254 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.639 -4.115 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.344 -3.565 1.060 1.00 0.00 H new