USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 48 THR OG1 : rot -75:sc= 0.0216 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -170:sc= -0.0242 (180deg=-0.252) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -11.9! C(o=-18!,f=-23!) USER MOD Set 2.2: A 58 THR OG1 : rot -130:sc= -0.47 USER MOD Set 2.3: A 69 ASN : amide:sc= -5.28! C(o=-18!,f=-21!) USER MOD Set 3.1: A 32 SER OG : rot -100:sc= -1.48 USER MOD Set 3.2: A 43 GLN : amide:sc= -0.635 K(o=-2.1,f=1) USER MOD Single : A 36 SER OG : rot 2:sc= 0.714 USER MOD Single : A 37 ASN : amide:sc= -0.782 K(o=-0.78,f=-0.085) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 55 SER OG : rot 144:sc= -0.582! USER MOD Single : A 57 SER OG : rot -158:sc= -0.148 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc=-0.00454 (180deg=-0.208) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 26:sc= -3.38! USER MOD Single : A 70 ASN : amide:sc= -0.295! C(o=-0.29!,f=-7!) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.087 (180deg=-0.455) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.127 (180deg=-0.577) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= -0.029 (180deg=-0.221) USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= -0.0409 (180deg=-0.406) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= -0.0168 (180deg=-0.166) USER MOD Single : A 92 GLN : amide:sc= -3.23! C(o=-3.2!,f=-6.8!) USER MOD Single : A 100 TYR OH : rot -50:sc= -1.5 USER MOD Single : A 102 TYR OH : rot 100:sc= -4.37! USER MOD Single : A 103 HIS : no HE2:sc= -0.212 K(o=-0.21,f=-2.8!) USER MOD Single : A 107 LYS NZ :NH3+ -145:sc= -4.46! (180deg=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 75 N PRO A 29 -8.989 1.381 0.887 1.00 1.75 N ATOM 76 CA PRO A 29 -7.549 1.083 0.958 1.00 1.73 C ATOM 77 C PRO A 29 -6.831 1.393 -0.368 1.00 1.12 C ATOM 78 O PRO A 29 -7.480 1.508 -1.406 1.00 0.97 O ATOM 79 CB PRO A 29 -7.517 -0.412 1.314 1.00 2.28 C ATOM 80 CG PRO A 29 -8.870 -0.931 0.971 1.00 2.24 C ATOM 81 CD PRO A 29 -9.809 0.205 1.219 1.00 1.93 C ATOM 0 HA PRO A 29 -7.020 1.696 1.688 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -6.742 -0.933 0.751 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -7.296 -0.559 2.371 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -8.914 -1.256 -0.068 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -9.127 -1.794 1.586 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.697 0.140 0.591 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -10.151 0.229 2.254 1.00 1.93 H new ATOM 89 N ARG A 30 -5.498 1.576 -0.318 1.00 1.14 N ATOM 90 CA ARG A 30 -4.706 1.922 -1.505 1.00 0.83 C ATOM 91 C ARG A 30 -3.214 1.990 -1.171 1.00 0.77 C ATOM 92 O ARG A 30 -2.831 1.963 -0.007 1.00 1.19 O ATOM 93 CB ARG A 30 -5.179 3.246 -2.107 1.00 1.44 C ATOM 94 CG ARG A 30 -5.457 4.329 -1.078 1.00 2.12 C ATOM 95 CD ARG A 30 -4.184 4.795 -0.393 1.00 2.57 C ATOM 96 NE ARG A 30 -4.067 4.271 0.964 1.00 3.02 N ATOM 97 CZ ARG A 30 -3.337 4.845 1.918 1.00 3.70 C ATOM 98 NH1 ARG A 30 -2.654 5.952 1.661 1.00 4.01 N ATOM 99 NH2 ARG A 30 -3.292 4.310 3.129 1.00 4.42 N ATOM 0 H ARG A 30 -4.949 1.489 0.537 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.853 1.135 -2.244 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -4.423 3.607 -2.804 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -6.086 3.067 -2.685 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -5.940 5.177 -1.564 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -6.154 3.950 -0.331 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -3.321 4.479 -0.979 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -4.167 5.884 -0.363 1.00 2.57 H new ATOM 0 HE ARG A 30 -4.573 3.416 1.195 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -2.687 6.367 0.730 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -2.096 6.389 2.395 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -3.816 3.459 3.330 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -2.733 4.749 3.860 1.00 4.42 H new ATOM 113 N LEU A 31 -2.360 2.066 -2.181 1.00 0.67 N ATOM 114 CA LEU A 31 -0.932 2.145 -1.916 1.00 0.66 C ATOM 115 C LEU A 31 -0.629 3.392 -1.091 1.00 0.79 C ATOM 116 O LEU A 31 -1.165 4.462 -1.351 1.00 1.21 O ATOM 117 CB LEU A 31 -0.156 2.224 -3.228 1.00 0.92 C ATOM 118 CG LEU A 31 1.361 2.012 -3.128 1.00 0.91 C ATOM 119 CD1 LEU A 31 2.026 3.012 -2.198 1.00 1.49 C ATOM 120 CD2 LEU A 31 1.654 0.589 -2.723 1.00 1.39 C ATOM 0 H LEU A 31 -2.621 2.075 -3.167 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.631 1.253 -1.367 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -0.562 1.479 -3.912 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.337 3.201 -3.676 1.00 0.92 H new ATOM 0 HG LEU A 31 1.791 2.190 -4.114 1.00 0.91 H new ATOM 0 HD11 LEU A 31 3.098 2.819 -2.163 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.852 4.023 -2.566 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.606 2.913 -1.197 1.00 1.49 H new ATOM 0 HD21 LEU A 31 2.732 0.445 -2.654 1.00 1.39 H new ATOM 0 HD22 LEU A 31 1.198 0.385 -1.754 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.244 -0.093 -3.468 1.00 1.39 H new ATOM 132 N SER A 32 0.239 3.249 -0.102 1.00 0.65 N ATOM 133 CA SER A 32 0.631 4.370 0.738 1.00 0.88 C ATOM 134 C SER A 32 2.149 4.548 0.714 1.00 0.67 C ATOM 135 O SER A 32 2.890 3.716 1.242 1.00 1.05 O ATOM 136 CB SER A 32 0.145 4.159 2.172 1.00 1.42 C ATOM 137 OG SER A 32 -0.022 2.781 2.458 1.00 1.57 O ATOM 0 H SER A 32 0.687 2.365 0.139 1.00 0.65 H new ATOM 0 HA SER A 32 0.168 5.275 0.344 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.861 4.594 2.869 1.00 1.42 H new ATOM 0 HB3 SER A 32 -0.800 4.681 2.319 1.00 1.42 H new ATOM 0 HG SER A 32 -0.971 2.545 2.389 1.00 1.57 H new ATOM 143 N VAL A 33 2.605 5.639 0.100 1.00 0.65 N ATOM 144 CA VAL A 33 4.034 5.928 0.011 1.00 0.78 C ATOM 145 C VAL A 33 4.424 7.030 0.985 1.00 0.74 C ATOM 146 O VAL A 33 4.101 8.198 0.768 1.00 1.28 O ATOM 147 CB VAL A 33 4.434 6.379 -1.402 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.354 5.226 -2.387 1.00 2.53 C ATOM 149 CG2 VAL A 33 3.564 7.541 -1.857 1.00 2.05 C ATOM 0 H VAL A 33 2.006 6.336 -0.342 1.00 0.65 H new ATOM 0 HA VAL A 33 4.555 5.003 0.258 1.00 0.78 H new ATOM 0 HB VAL A 33 5.470 6.717 -1.369 1.00 1.59 H new ATOM 0 HG11 VAL A 33 4.642 5.574 -3.379 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.029 4.430 -2.071 1.00 2.53 H new ATOM 0 HG13 VAL A 33 3.333 4.845 -2.419 1.00 2.53 H new ATOM 0 HG21 VAL A 33 3.861 7.847 -2.860 1.00 2.05 H new ATOM 0 HG22 VAL A 33 2.519 7.231 -1.867 1.00 2.05 H new ATOM 0 HG23 VAL A 33 3.687 8.378 -1.170 1.00 2.05 H new ATOM 159 N PHE A 34 5.111 6.664 2.060 1.00 0.53 N ATOM 160 CA PHE A 34 5.521 7.648 3.052 1.00 0.78 C ATOM 161 C PHE A 34 6.939 7.407 3.547 1.00 0.52 C ATOM 162 O PHE A 34 7.458 6.293 3.474 1.00 0.90 O ATOM 163 CB PHE A 34 4.553 7.656 4.234 1.00 1.43 C ATOM 164 CG PHE A 34 4.123 6.290 4.672 1.00 1.74 C ATOM 165 CD1 PHE A 34 3.385 5.485 3.824 1.00 1.73 C ATOM 166 CD2 PHE A 34 4.449 5.816 5.932 1.00 2.51 C ATOM 167 CE1 PHE A 34 2.979 4.229 4.224 1.00 2.58 C ATOM 168 CE2 PHE A 34 4.046 4.560 6.338 1.00 3.37 C ATOM 169 CZ PHE A 34 3.309 3.763 5.482 1.00 3.43 C ATOM 0 H PHE A 34 5.393 5.705 2.265 1.00 0.53 H new ATOM 0 HA PHE A 34 5.501 8.621 2.561 1.00 0.78 H new ATOM 0 HB2 PHE A 34 5.025 8.165 5.074 1.00 1.43 H new ATOM 0 HB3 PHE A 34 3.670 8.236 3.965 1.00 1.43 H new ATOM 0 HD1 PHE A 34 3.124 5.843 2.839 1.00 1.73 H new ATOM 0 HD2 PHE A 34 5.025 6.436 6.604 1.00 2.51 H new ATOM 0 HE1 PHE A 34 2.403 3.609 3.553 1.00 2.58 H new ATOM 0 HE2 PHE A 34 4.306 4.200 7.323 1.00 3.37 H new ATOM 0 HZ PHE A 34 2.992 2.779 5.796 1.00 3.43 H new ATOM 179 N ARG A 35 7.545 8.461 4.080 1.00 0.77 N ATOM 180 CA ARG A 35 8.890 8.375 4.627 1.00 0.81 C ATOM 181 C ARG A 35 8.826 8.315 6.150 1.00 0.85 C ATOM 182 O ARG A 35 8.469 9.292 6.806 1.00 1.32 O ATOM 183 CB ARG A 35 9.728 9.577 4.179 1.00 1.41 C ATOM 184 CG ARG A 35 9.060 10.921 4.435 1.00 2.08 C ATOM 185 CD ARG A 35 10.011 12.078 4.169 1.00 2.72 C ATOM 186 NE ARG A 35 9.410 13.366 4.506 1.00 3.21 N ATOM 187 CZ ARG A 35 10.114 14.460 4.785 1.00 3.85 C ATOM 188 NH1 ARG A 35 11.440 14.424 4.762 1.00 4.13 N ATOM 189 NH2 ARG A 35 9.493 15.591 5.086 1.00 4.60 N ATOM 0 H ARG A 35 7.123 9.387 4.144 1.00 0.77 H new ATOM 0 HA ARG A 35 9.364 7.467 4.255 1.00 0.81 H new ATOM 0 HB2 ARG A 35 10.686 9.553 4.698 1.00 1.41 H new ATOM 0 HB3 ARG A 35 9.940 9.484 3.114 1.00 1.41 H new ATOM 0 HG2 ARG A 35 8.181 11.018 3.798 1.00 2.08 H new ATOM 0 HG3 ARG A 35 8.713 10.965 5.467 1.00 2.08 H new ATOM 0 HD2 ARG A 35 10.923 11.940 4.750 1.00 2.72 H new ATOM 0 HD3 ARG A 35 10.300 12.076 3.118 1.00 2.72 H new ATOM 0 HE ARG A 35 8.392 13.430 4.529 1.00 3.21 H new ATOM 0 HH11 ARG A 35 11.923 13.556 4.530 1.00 4.13 H new ATOM 0 HH12 ARG A 35 11.977 15.264 4.976 1.00 4.13 H new ATOM 0 HH21 ARG A 35 8.474 15.624 5.104 1.00 4.60 H new ATOM 0 HH22 ARG A 35 10.034 16.429 5.300 1.00 4.60 H new ATOM 203 N SER A 36 9.157 7.158 6.710 1.00 0.55 N ATOM 204 CA SER A 36 9.120 6.976 8.148 1.00 0.74 C ATOM 205 C SER A 36 10.293 7.667 8.827 1.00 0.79 C ATOM 206 O SER A 36 11.334 7.060 9.071 1.00 1.07 O ATOM 207 CB SER A 36 9.122 5.487 8.480 1.00 0.84 C ATOM 208 OG SER A 36 10.240 4.835 7.904 1.00 1.50 O ATOM 0 H SER A 36 9.454 6.334 6.187 1.00 0.55 H new ATOM 0 HA SER A 36 8.204 7.431 8.524 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.137 5.353 9.562 1.00 0.84 H new ATOM 0 HB3 SER A 36 8.203 5.029 8.115 1.00 0.84 H new ATOM 0 HG SER A 36 10.792 5.491 7.429 1.00 1.50 H new ATOM 214 N ASN A 37 10.100 8.938 9.141 1.00 1.08 N ATOM 215 CA ASN A 37 11.120 9.728 9.809 1.00 1.18 C ATOM 216 C ASN A 37 12.397 9.818 8.976 1.00 1.17 C ATOM 217 O ASN A 37 12.638 10.817 8.300 1.00 1.97 O ATOM 218 CB ASN A 37 11.425 9.132 11.186 1.00 1.30 C ATOM 219 CG ASN A 37 12.487 9.911 11.933 1.00 1.89 C ATOM 220 OD1 ASN A 37 13.316 9.338 12.640 1.00 2.57 O ATOM 221 ND2 ASN A 37 12.458 11.229 11.790 1.00 2.42 N ATOM 0 H ASN A 37 9.239 9.447 8.942 1.00 1.08 H new ATOM 0 HA ASN A 37 10.734 10.740 9.932 1.00 1.18 H new ATOM 0 HB2 ASN A 37 10.511 9.110 11.779 1.00 1.30 H new ATOM 0 HB3 ASN A 37 11.753 8.099 11.067 1.00 1.30 H new ATOM 0 HD21 ASN A 37 13.141 11.810 12.276 1.00 2.42 H new ATOM 0 HD22 ASN A 37 11.753 11.662 11.194 1.00 2.42 H new ATOM 228 N LYS A 38 13.219 8.773 9.035 1.00 0.96 N ATOM 229 CA LYS A 38 14.474 8.744 8.294 1.00 0.85 C ATOM 230 C LYS A 38 14.554 7.540 7.354 1.00 0.75 C ATOM 231 O LYS A 38 15.548 7.365 6.651 1.00 1.11 O ATOM 232 CB LYS A 38 15.655 8.709 9.264 1.00 0.86 C ATOM 233 CG LYS A 38 15.820 9.983 10.077 1.00 1.05 C ATOM 234 CD LYS A 38 16.885 9.820 11.150 1.00 1.75 C ATOM 235 CE LYS A 38 18.232 9.456 10.544 1.00 2.20 C ATOM 236 NZ LYS A 38 19.242 9.131 11.588 1.00 2.60 N ATOM 0 H LYS A 38 13.037 7.936 9.589 1.00 0.96 H new ATOM 0 HA LYS A 38 14.515 9.649 7.689 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.528 7.868 9.946 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.570 8.528 8.701 1.00 0.86 H new ATOM 0 HG2 LYS A 38 16.090 10.806 9.416 1.00 1.05 H new ATOM 0 HG3 LYS A 38 14.870 10.246 10.542 1.00 1.05 H new ATOM 0 HD2 LYS A 38 16.978 10.747 11.717 1.00 1.75 H new ATOM 0 HD3 LYS A 38 16.579 9.045 11.853 1.00 1.75 H new ATOM 0 HE2 LYS A 38 18.111 8.602 9.878 1.00 2.20 H new ATOM 0 HE3 LYS A 38 18.593 10.286 9.936 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 20.145 8.889 11.133 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 19.377 9.954 12.209 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 18.910 8.323 12.152 1.00 2.60 H new ATOM 250 N HIS A 39 13.517 6.707 7.348 1.00 0.56 N ATOM 251 CA HIS A 39 13.503 5.524 6.495 1.00 0.60 C ATOM 252 C HIS A 39 12.305 5.556 5.549 1.00 0.52 C ATOM 253 O HIS A 39 11.198 5.906 5.951 1.00 0.67 O ATOM 254 CB HIS A 39 13.482 4.251 7.350 1.00 0.80 C ATOM 255 CG HIS A 39 14.166 4.391 8.676 1.00 1.26 C ATOM 256 ND1 HIS A 39 15.282 3.665 9.026 1.00 1.26 N ATOM 257 CD2 HIS A 39 13.876 5.173 9.744 1.00 1.99 C ATOM 258 CE1 HIS A 39 15.649 3.990 10.253 1.00 1.96 C ATOM 259 NE2 HIS A 39 14.813 4.903 10.710 1.00 2.40 N ATOM 0 H HIS A 39 12.681 6.828 7.920 1.00 0.56 H new ATOM 0 HA HIS A 39 14.412 5.522 5.893 1.00 0.60 H new ATOM 0 HB2 HIS A 39 12.446 3.956 7.517 1.00 0.80 H new ATOM 0 HB3 HIS A 39 13.957 3.444 6.792 1.00 0.80 H new ATOM 0 HD2 HIS A 39 13.060 5.877 9.821 1.00 1.99 H new ATOM 0 HE1 HIS A 39 16.490 3.578 10.791 1.00 1.96 H new ATOM 0 HE2 HIS A 39 14.856 5.338 11.632 1.00 2.40 H new ATOM 268 N ILE A 40 12.535 5.198 4.288 1.00 0.50 N ATOM 269 CA ILE A 40 11.468 5.200 3.286 1.00 0.51 C ATOM 270 C ILE A 40 10.532 4.012 3.477 1.00 0.46 C ATOM 271 O ILE A 40 10.894 2.878 3.165 1.00 0.68 O ATOM 272 CB ILE A 40 12.002 5.150 1.832 1.00 0.60 C ATOM 273 CG1 ILE A 40 13.434 5.689 1.727 1.00 1.21 C ATOM 274 CG2 ILE A 40 11.081 5.942 0.917 1.00 1.29 C ATOM 275 CD1 ILE A 40 13.611 7.062 2.338 1.00 2.23 C ATOM 0 H ILE A 40 13.446 4.904 3.935 1.00 0.50 H new ATOM 0 HA ILE A 40 10.937 6.140 3.434 1.00 0.51 H new ATOM 0 HB ILE A 40 12.021 4.105 1.522 1.00 0.60 H new ATOM 0 HG12 ILE A 40 14.113 4.992 2.218 1.00 1.21 H new ATOM 0 HG13 ILE A 40 13.722 5.728 0.677 1.00 1.21 H new ATOM 0 HG21 ILE A 40 11.461 5.903 -0.104 1.00 1.29 H new ATOM 0 HG22 ILE A 40 10.080 5.512 0.948 1.00 1.29 H new ATOM 0 HG23 ILE A 40 11.041 6.979 1.250 1.00 1.29 H new ATOM 0 HD11 ILE A 40 14.648 7.379 2.227 1.00 2.23 H new ATOM 0 HD12 ILE A 40 12.958 7.773 1.831 1.00 2.23 H new ATOM 0 HD13 ILE A 40 13.354 7.025 3.397 1.00 2.23 H new ATOM 287 N TYR A 41 9.329 4.267 3.986 1.00 0.36 N ATOM 288 CA TYR A 41 8.373 3.198 4.198 1.00 0.31 C ATOM 289 C TYR A 41 7.501 2.974 2.980 1.00 0.36 C ATOM 290 O TYR A 41 6.724 3.849 2.584 1.00 0.46 O ATOM 291 CB TYR A 41 7.464 3.485 5.385 1.00 0.31 C ATOM 292 CG TYR A 41 7.011 2.221 6.072 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.503 1.133 5.351 1.00 0.30 C ATOM 294 CD2 TYR A 41 7.135 2.096 7.446 1.00 0.48 C ATOM 295 CE1 TYR A 41 6.135 -0.027 5.995 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.762 0.938 8.091 1.00 0.57 C ATOM 297 CZ TYR A 41 6.264 -0.122 7.365 1.00 0.53 C ATOM 298 OH TYR A 41 5.896 -1.281 8.009 1.00 0.63 O ATOM 0 H TYR A 41 9.001 5.195 4.255 1.00 0.36 H new ATOM 0 HA TYR A 41 8.963 2.303 4.394 1.00 0.31 H new ATOM 0 HB2 TYR A 41 7.991 4.117 6.100 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.592 4.045 5.046 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.399 1.205 4.278 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.531 2.920 8.021 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.746 -0.861 5.429 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.860 0.861 9.164 1.00 0.57 H new ATOM 0 HH TYR A 41 6.051 -1.184 8.972 1.00 0.63 H new ATOM 308 N ALA A 42 7.592 1.779 2.427 1.00 0.47 N ATOM 309 CA ALA A 42 6.769 1.403 1.295 1.00 0.60 C ATOM 310 C ALA A 42 5.595 0.616 1.842 1.00 0.48 C ATOM 311 O ALA A 42 5.803 -0.301 2.627 1.00 0.57 O ATOM 312 CB ALA A 42 7.578 0.566 0.320 1.00 0.92 C ATOM 0 H ALA A 42 8.231 1.050 2.746 1.00 0.47 H new ATOM 0 HA ALA A 42 6.416 2.281 0.754 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.952 0.288 -0.528 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.432 1.144 -0.034 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.932 -0.335 0.821 1.00 0.92 H new ATOM 318 N GLN A 43 4.372 0.983 1.471 1.00 0.45 N ATOM 319 CA GLN A 43 3.195 0.284 1.983 1.00 0.39 C ATOM 320 C GLN A 43 2.143 0.105 0.904 1.00 0.40 C ATOM 321 O GLN A 43 1.675 1.076 0.319 1.00 0.51 O ATOM 322 CB GLN A 43 2.592 1.037 3.165 1.00 0.39 C ATOM 323 CG GLN A 43 1.604 0.212 3.972 1.00 0.99 C ATOM 324 CD GLN A 43 0.944 1.010 5.080 1.00 1.33 C ATOM 325 OE1 GLN A 43 1.466 1.098 6.192 1.00 2.05 O ATOM 326 NE2 GLN A 43 -0.212 1.592 4.783 1.00 1.85 N ATOM 0 H GLN A 43 4.170 1.748 0.828 1.00 0.45 H new ATOM 0 HA GLN A 43 3.522 -0.702 2.314 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.396 1.370 3.821 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.090 1.932 2.797 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.836 -0.182 3.306 1.00 0.99 H new ATOM 0 HG3 GLN A 43 2.120 -0.645 4.405 1.00 0.99 H new ATOM 0 HE21 GLN A 43 -0.608 1.492 3.848 1.00 1.85 H new ATOM 0 HE22 GLN A 43 -0.704 2.139 5.490 1.00 1.85 H new ATOM 335 N ILE A 44 1.770 -1.142 0.649 1.00 0.43 N ATOM 336 CA ILE A 44 0.766 -1.440 -0.361 1.00 0.45 C ATOM 337 C ILE A 44 -0.513 -1.964 0.273 1.00 0.48 C ATOM 338 O ILE A 44 -0.604 -3.147 0.614 1.00 0.60 O ATOM 339 CB ILE A 44 1.264 -2.490 -1.384 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.761 -2.320 -1.654 1.00 0.65 C ATOM 341 CG2 ILE A 44 0.468 -2.396 -2.688 1.00 0.51 C ATOM 342 CD1 ILE A 44 3.322 -3.349 -2.611 1.00 0.86 C ATOM 0 H ILE A 44 2.147 -1.961 1.127 1.00 0.43 H new ATOM 0 HA ILE A 44 0.570 -0.501 -0.878 1.00 0.45 H new ATOM 0 HB ILE A 44 1.105 -3.480 -0.956 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.938 -1.324 -2.059 1.00 0.65 H new ATOM 0 HG13 ILE A 44 3.302 -2.381 -0.710 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.834 -3.143 -3.393 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -0.587 -2.577 -2.484 1.00 0.51 H new ATOM 0 HG23 ILE A 44 0.589 -1.402 -3.117 1.00 0.51 H new ATOM 0 HD11 ILE A 44 4.387 -3.168 -2.756 1.00 0.86 H new ATOM 0 HD12 ILE A 44 3.176 -4.347 -2.198 1.00 0.86 H new ATOM 0 HD13 ILE A 44 2.807 -3.274 -3.569 1.00 0.86 H new ATOM 354 N ILE A 45 -1.521 -1.101 0.385 1.00 0.52 N ATOM 355 CA ILE A 45 -2.800 -1.531 0.918 1.00 0.56 C ATOM 356 C ILE A 45 -3.804 -1.499 -0.239 1.00 0.54 C ATOM 357 O ILE A 45 -3.862 -0.534 -0.991 1.00 0.63 O ATOM 358 CB ILE A 45 -3.247 -0.736 2.198 1.00 0.69 C ATOM 359 CG1 ILE A 45 -4.762 -0.682 2.324 1.00 0.76 C ATOM 360 CG2 ILE A 45 -2.669 0.670 2.269 1.00 0.82 C ATOM 361 CD1 ILE A 45 -5.405 -2.044 2.453 1.00 1.19 C ATOM 0 H ILE A 45 -1.474 -0.118 0.117 1.00 0.52 H new ATOM 0 HA ILE A 45 -2.728 -2.550 1.299 1.00 0.56 H new ATOM 0 HB ILE A 45 -2.839 -1.294 3.041 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.025 -0.081 3.194 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.174 -0.176 1.451 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.018 1.162 3.177 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -1.580 0.616 2.281 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -2.994 1.241 1.399 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -6.486 -1.930 2.539 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -5.172 -2.641 1.571 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -5.022 -2.545 3.342 1.00 1.19 H new ATOM 373 N ASP A 46 -4.510 -2.612 -0.427 1.00 0.53 N ATOM 374 CA ASP A 46 -5.405 -2.801 -1.582 1.00 0.59 C ATOM 375 C ASP A 46 -6.228 -1.586 -1.978 1.00 0.59 C ATOM 376 O ASP A 46 -7.098 -1.111 -1.262 1.00 0.62 O ATOM 377 CB ASP A 46 -6.342 -3.972 -1.309 1.00 0.68 C ATOM 378 CG ASP A 46 -6.999 -3.895 0.054 1.00 0.66 C ATOM 379 OD1 ASP A 46 -6.400 -4.394 1.031 1.00 0.89 O ATOM 380 OD2 ASP A 46 -8.116 -3.348 0.143 1.00 0.74 O ATOM 0 H ASP A 46 -4.483 -3.408 0.210 1.00 0.53 H new ATOM 0 HA ASP A 46 -4.745 -2.993 -2.428 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.114 -4.000 -2.078 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.782 -4.904 -1.385 1.00 0.68 H new ATOM 385 N ASP A 47 -5.921 -1.121 -3.189 1.00 0.86 N ATOM 386 CA ASP A 47 -6.581 0.022 -3.790 1.00 0.96 C ATOM 387 C ASP A 47 -8.101 -0.202 -3.909 1.00 1.01 C ATOM 388 O ASP A 47 -8.763 -0.471 -2.907 1.00 0.96 O ATOM 389 CB ASP A 47 -5.926 0.340 -5.147 1.00 1.17 C ATOM 390 CG ASP A 47 -6.272 1.734 -5.637 1.00 1.66 C ATOM 391 OD1 ASP A 47 -5.559 2.689 -5.262 1.00 2.45 O ATOM 392 OD2 ASP A 47 -7.255 1.869 -6.396 1.00 1.96 O ATOM 0 H ASP A 47 -5.200 -1.535 -3.780 1.00 0.86 H new ATOM 0 HA ASP A 47 -6.455 0.889 -3.141 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -4.844 0.246 -5.057 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -6.249 -0.394 -5.886 1.00 1.17 H new ATOM 397 N THR A 48 -8.662 -0.067 -5.113 1.00 1.33 N ATOM 398 CA THR A 48 -10.102 -0.231 -5.310 1.00 1.52 C ATOM 399 C THR A 48 -10.475 -1.625 -5.815 1.00 1.57 C ATOM 400 O THR A 48 -11.658 -1.944 -5.930 1.00 1.64 O ATOM 401 CB THR A 48 -10.614 0.821 -6.295 1.00 1.97 C ATOM 402 OG1 THR A 48 -10.002 0.660 -7.562 1.00 2.28 O ATOM 403 CG2 THR A 48 -10.363 2.243 -5.843 1.00 2.12 C ATOM 0 H THR A 48 -8.142 0.155 -5.962 1.00 1.33 H new ATOM 0 HA THR A 48 -10.573 -0.101 -4.336 1.00 1.52 H new ATOM 0 HB THR A 48 -11.691 0.661 -6.351 1.00 1.97 H new ATOM 0 HG1 THR A 48 -9.079 0.986 -7.523 1.00 2.28 H new ATOM 0 HG21 THR A 48 -10.752 2.936 -6.589 1.00 2.12 H new ATOM 0 HG22 THR A 48 -10.865 2.416 -4.891 1.00 2.12 H new ATOM 0 HG23 THR A 48 -9.291 2.403 -5.723 1.00 2.12 H new ATOM 411 N LYS A 49 -9.484 -2.450 -6.132 1.00 1.64 N ATOM 412 CA LYS A 49 -9.760 -3.789 -6.637 1.00 1.82 C ATOM 413 C LYS A 49 -9.107 -4.859 -5.775 1.00 2.06 C ATOM 414 O LYS A 49 -8.669 -5.895 -6.274 1.00 2.71 O ATOM 415 CB LYS A 49 -9.299 -3.916 -8.091 1.00 2.07 C ATOM 416 CG LYS A 49 -10.288 -3.346 -9.094 1.00 2.73 C ATOM 417 CD LYS A 49 -9.726 -3.369 -10.506 1.00 3.33 C ATOM 418 CE LYS A 49 -8.417 -2.600 -10.595 1.00 3.64 C ATOM 419 NZ LYS A 49 -8.557 -1.207 -10.088 1.00 4.26 N ATOM 0 H LYS A 49 -8.494 -2.219 -6.050 1.00 1.64 H new ATOM 0 HA LYS A 49 -10.838 -3.944 -6.594 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -8.343 -3.406 -8.206 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -9.129 -4.968 -8.319 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -11.214 -3.921 -9.060 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -10.538 -2.322 -8.818 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -9.565 -4.401 -10.819 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -10.451 -2.936 -11.195 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -7.650 -3.120 -10.021 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -8.079 -2.577 -11.631 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -7.700 -0.666 -10.319 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -9.382 -0.756 -10.534 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -8.688 -1.225 -9.056 1.00 4.26 H new ATOM 433 N SER A 50 -9.062 -4.604 -4.476 1.00 1.82 N ATOM 434 CA SER A 50 -8.482 -5.543 -3.528 1.00 2.14 C ATOM 435 C SER A 50 -6.979 -5.697 -3.729 1.00 1.89 C ATOM 436 O SER A 50 -6.406 -5.137 -4.659 1.00 2.60 O ATOM 437 CB SER A 50 -9.167 -6.904 -3.640 1.00 2.65 C ATOM 438 OG SER A 50 -10.559 -6.797 -3.401 1.00 3.31 O ATOM 0 H SER A 50 -9.423 -3.749 -4.052 1.00 1.82 H new ATOM 0 HA SER A 50 -8.644 -5.139 -2.529 1.00 2.14 H new ATOM 0 HB2 SER A 50 -8.997 -7.319 -4.633 1.00 2.65 H new ATOM 0 HB3 SER A 50 -8.724 -7.597 -2.924 1.00 2.65 H new ATOM 0 HG SER A 50 -10.973 -7.681 -3.480 1.00 3.31 H new ATOM 444 N ALA A 51 -6.361 -6.447 -2.815 1.00 1.33 N ATOM 445 CA ALA A 51 -4.914 -6.701 -2.798 1.00 1.15 C ATOM 446 C ALA A 51 -4.471 -6.944 -1.368 1.00 1.13 C ATOM 447 O ALA A 51 -5.301 -7.075 -0.469 1.00 1.56 O ATOM 448 CB ALA A 51 -4.117 -5.546 -3.401 1.00 1.20 C ATOM 0 H ALA A 51 -6.858 -6.904 -2.051 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.718 -7.580 -3.412 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -3.053 -5.781 -3.366 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.421 -5.396 -4.437 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.307 -4.636 -2.831 1.00 1.20 H new ATOM 454 N THR A 52 -3.171 -7.003 -1.154 1.00 1.05 N ATOM 455 CA THR A 52 -2.650 -7.230 0.176 1.00 1.07 C ATOM 456 C THR A 52 -2.478 -5.920 0.928 1.00 0.91 C ATOM 457 O THR A 52 -2.298 -4.855 0.330 1.00 1.28 O ATOM 458 CB THR A 52 -1.320 -7.975 0.106 1.00 1.64 C ATOM 459 OG1 THR A 52 -0.397 -7.281 -0.716 1.00 2.30 O ATOM 460 CG2 THR A 52 -1.461 -9.378 -0.438 1.00 2.34 C ATOM 0 H THR A 52 -2.462 -6.898 -1.880 1.00 1.05 H new ATOM 0 HA THR A 52 -3.370 -7.842 0.719 1.00 1.07 H new ATOM 0 HB THR A 52 -0.960 -8.032 1.133 1.00 1.64 H new ATOM 0 HG1 THR A 52 0.449 -7.774 -0.746 1.00 2.30 H new ATOM 0 HG21 THR A 52 -0.483 -9.858 -0.464 1.00 2.34 H new ATOM 0 HG22 THR A 52 -2.130 -9.952 0.204 1.00 2.34 H new ATOM 0 HG23 THR A 52 -1.872 -9.338 -1.447 1.00 2.34 H new ATOM 468 N ILE A 53 -2.540 -6.011 2.244 1.00 1.13 N ATOM 469 CA ILE A 53 -2.380 -4.873 3.103 1.00 1.60 C ATOM 470 C ILE A 53 -1.085 -5.048 3.881 1.00 1.49 C ATOM 471 O ILE A 53 -1.088 -5.216 5.100 1.00 2.03 O ATOM 472 CB ILE A 53 -3.576 -4.767 4.056 1.00 2.38 C ATOM 473 CG1 ILE A 53 -3.423 -3.572 4.974 1.00 2.64 C ATOM 474 CG2 ILE A 53 -3.723 -6.048 4.865 1.00 3.14 C ATOM 475 CD1 ILE A 53 -4.606 -3.385 5.891 1.00 2.95 C ATOM 0 H ILE A 53 -2.704 -6.886 2.741 1.00 1.13 H new ATOM 0 HA ILE A 53 -2.336 -3.954 2.518 1.00 1.60 H new ATOM 0 HB ILE A 53 -4.479 -4.627 3.462 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -2.520 -3.693 5.573 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -3.289 -2.673 4.373 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -4.576 -5.958 5.537 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -3.880 -6.889 4.190 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -2.818 -6.216 5.448 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -4.441 -2.514 6.525 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -5.507 -3.235 5.296 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -4.726 -4.271 6.515 1.00 2.95 H new ATOM 487 N VAL A 54 0.025 -5.065 3.146 1.00 0.90 N ATOM 488 CA VAL A 54 1.335 -5.281 3.748 1.00 0.93 C ATOM 489 C VAL A 54 2.444 -4.551 3.014 1.00 0.65 C ATOM 490 O VAL A 54 2.203 -3.899 2.001 1.00 0.59 O ATOM 491 CB VAL A 54 1.713 -6.768 3.751 1.00 1.31 C ATOM 492 CG1 VAL A 54 1.226 -7.452 5.020 1.00 1.86 C ATOM 493 CG2 VAL A 54 1.165 -7.473 2.508 1.00 2.03 C ATOM 0 H VAL A 54 0.042 -4.932 2.135 1.00 0.90 H new ATOM 0 HA VAL A 54 1.246 -4.895 4.764 1.00 0.93 H new ATOM 0 HB VAL A 54 2.801 -6.837 3.728 1.00 1.31 H new ATOM 0 HG11 VAL A 54 1.507 -8.505 4.997 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.680 -6.974 5.888 1.00 1.86 H new ATOM 0 HG13 VAL A 54 0.141 -7.367 5.086 1.00 1.86 H new ATOM 0 HG21 VAL A 54 1.446 -8.526 2.533 1.00 2.03 H new ATOM 0 HG22 VAL A 54 0.078 -7.388 2.491 1.00 2.03 H new ATOM 0 HG23 VAL A 54 1.580 -7.008 1.614 1.00 2.03 H new ATOM 503 N SER A 55 3.666 -4.706 3.549 1.00 0.71 N ATOM 504 CA SER A 55 4.880 -4.101 2.993 1.00 0.61 C ATOM 505 C SER A 55 6.006 -4.126 4.033 1.00 0.71 C ATOM 506 O SER A 55 6.094 -5.062 4.828 1.00 0.96 O ATOM 507 CB SER A 55 4.619 -2.668 2.596 1.00 0.64 C ATOM 508 OG SER A 55 4.414 -1.885 3.764 1.00 1.38 O ATOM 0 H SER A 55 3.837 -5.261 4.388 1.00 0.71 H new ATOM 0 HA SER A 55 5.174 -4.676 2.115 1.00 0.61 H new ATOM 0 HB2 SER A 55 5.462 -2.277 2.026 1.00 0.64 H new ATOM 0 HB3 SER A 55 3.744 -2.612 1.949 1.00 0.64 H new ATOM 0 HG SER A 55 4.798 -0.993 3.631 1.00 1.38 H new ATOM 514 N ALA A 56 6.863 -3.090 4.046 1.00 0.63 N ATOM 515 CA ALA A 56 7.947 -3.032 5.014 1.00 0.77 C ATOM 516 C ALA A 56 8.809 -1.782 4.893 1.00 0.58 C ATOM 517 O ALA A 56 8.770 -1.038 3.899 1.00 0.59 O ATOM 518 CB ALA A 56 8.822 -4.262 4.891 1.00 1.17 C ATOM 0 H ALA A 56 6.820 -2.298 3.404 1.00 0.63 H new ATOM 0 HA ALA A 56 7.474 -2.995 5.995 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.630 -4.208 5.620 1.00 1.17 H new ATOM 0 HB2 ALA A 56 8.224 -5.154 5.077 1.00 1.17 H new ATOM 0 HB3 ALA A 56 9.242 -4.310 3.887 1.00 1.17 H new ATOM 524 N SER A 57 9.603 -1.594 5.939 1.00 0.52 N ATOM 525 CA SER A 57 10.544 -0.498 6.053 1.00 0.47 C ATOM 526 C SER A 57 11.578 -0.865 7.109 1.00 0.59 C ATOM 527 O SER A 57 11.642 -2.015 7.532 1.00 0.87 O ATOM 528 CB SER A 57 9.837 0.805 6.403 1.00 0.51 C ATOM 529 OG SER A 57 9.464 0.834 7.768 1.00 1.46 O ATOM 0 H SER A 57 9.607 -2.216 6.748 1.00 0.52 H new ATOM 0 HA SER A 57 11.037 -0.337 5.094 1.00 0.47 H new ATOM 0 HB2 SER A 57 10.493 1.648 6.184 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.951 0.920 5.779 1.00 0.51 H new ATOM 0 HG SER A 57 8.733 1.475 7.894 1.00 1.46 H new ATOM 535 N THR A 58 12.380 0.098 7.536 1.00 0.75 N ATOM 536 CA THR A 58 13.412 -0.151 8.545 1.00 0.94 C ATOM 537 C THR A 58 12.920 -1.060 9.680 1.00 1.00 C ATOM 538 O THR A 58 13.717 -1.761 10.305 1.00 1.41 O ATOM 539 CB THR A 58 13.903 1.173 9.125 1.00 1.24 C ATOM 540 OG1 THR A 58 15.035 0.969 9.951 1.00 1.39 O ATOM 541 CG2 THR A 58 12.857 1.892 9.948 1.00 1.99 C ATOM 0 H THR A 58 12.340 1.061 7.203 1.00 0.75 H new ATOM 0 HA THR A 58 14.230 -0.669 8.044 1.00 0.94 H new ATOM 0 HB THR A 58 14.150 1.792 8.262 1.00 1.24 H new ATOM 0 HG1 THR A 58 14.898 1.418 10.811 1.00 1.39 H new ATOM 0 HG21 THR A 58 13.272 2.825 10.330 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.990 2.109 9.325 1.00 1.99 H new ATOM 0 HG23 THR A 58 12.554 1.261 10.784 1.00 1.99 H new ATOM 549 N LEU A 59 11.618 -1.039 9.957 1.00 1.17 N ATOM 550 CA LEU A 59 11.052 -1.855 11.031 1.00 1.34 C ATOM 551 C LEU A 59 11.012 -3.338 10.668 1.00 1.38 C ATOM 552 O LEU A 59 10.954 -4.196 11.548 1.00 1.80 O ATOM 553 CB LEU A 59 9.644 -1.375 11.387 1.00 1.71 C ATOM 554 CG LEU A 59 9.573 0.013 12.023 1.00 1.41 C ATOM 555 CD1 LEU A 59 9.602 1.093 10.955 1.00 1.74 C ATOM 556 CD2 LEU A 59 8.326 0.144 12.884 1.00 1.87 C ATOM 0 H LEU A 59 10.937 -0.469 9.456 1.00 1.17 H new ATOM 0 HA LEU A 59 11.706 -1.739 11.895 1.00 1.34 H new ATOM 0 HB2 LEU A 59 9.038 -1.374 10.481 1.00 1.71 H new ATOM 0 HB3 LEU A 59 9.194 -2.094 12.071 1.00 1.71 H new ATOM 0 HG LEU A 59 10.446 0.142 12.663 1.00 1.41 H new ATOM 0 HD11 LEU A 59 9.551 2.074 11.428 1.00 1.74 H new ATOM 0 HD12 LEU A 59 10.526 1.014 10.383 1.00 1.74 H new ATOM 0 HD13 LEU A 59 8.750 0.967 10.287 1.00 1.74 H new ATOM 0 HD21 LEU A 59 8.293 1.139 13.328 1.00 1.87 H new ATOM 0 HD22 LEU A 59 7.440 -0.007 12.267 1.00 1.87 H new ATOM 0 HD23 LEU A 59 8.349 -0.606 13.675 1.00 1.87 H new ATOM 568 N ASP A 60 11.034 -3.637 9.372 1.00 1.26 N ATOM 569 CA ASP A 60 10.991 -5.022 8.896 1.00 1.54 C ATOM 570 C ASP A 60 11.917 -5.922 9.713 1.00 1.37 C ATOM 571 O ASP A 60 12.741 -5.443 10.492 1.00 1.36 O ATOM 572 CB ASP A 60 11.385 -5.090 7.421 1.00 2.10 C ATOM 573 CG ASP A 60 10.998 -6.407 6.778 1.00 2.87 C ATOM 574 OD1 ASP A 60 9.795 -6.604 6.503 1.00 3.56 O ATOM 575 OD2 ASP A 60 11.898 -7.242 6.543 1.00 3.17 O ATOM 0 H ASP A 60 11.081 -2.939 8.629 1.00 1.26 H new ATOM 0 HA ASP A 60 9.968 -5.379 9.017 1.00 1.54 H new ATOM 0 HB2 ASP A 60 10.907 -4.272 6.882 1.00 2.10 H new ATOM 0 HB3 ASP A 60 12.462 -4.947 7.329 1.00 2.10 H new ATOM 580 N LYS A 61 11.773 -7.230 9.526 1.00 1.65 N ATOM 581 CA LYS A 61 12.590 -8.202 10.242 1.00 1.85 C ATOM 582 C LYS A 61 13.903 -8.462 9.509 1.00 1.82 C ATOM 583 O LYS A 61 14.986 -8.287 10.070 1.00 1.93 O ATOM 584 CB LYS A 61 11.821 -9.512 10.414 1.00 2.35 C ATOM 585 CG LYS A 61 12.551 -10.542 11.259 1.00 2.39 C ATOM 586 CD LYS A 61 11.797 -11.861 11.302 1.00 2.98 C ATOM 587 CE LYS A 61 12.480 -12.863 12.219 1.00 3.67 C ATOM 588 NZ LYS A 61 12.458 -12.421 13.640 1.00 4.11 N ATOM 0 H LYS A 61 11.096 -7.641 8.883 1.00 1.65 H new ATOM 0 HA LYS A 61 12.822 -7.790 11.224 1.00 1.85 H new ATOM 0 HB2 LYS A 61 10.855 -9.299 10.871 1.00 2.35 H new ATOM 0 HB3 LYS A 61 11.621 -9.938 9.431 1.00 2.35 H new ATOM 0 HG2 LYS A 61 13.550 -10.705 10.854 1.00 2.39 H new ATOM 0 HG3 LYS A 61 12.677 -10.160 12.272 1.00 2.39 H new ATOM 0 HD2 LYS A 61 10.777 -11.687 11.646 1.00 2.98 H new ATOM 0 HD3 LYS A 61 11.728 -12.275 10.296 1.00 2.98 H new ATOM 0 HE2 LYS A 61 11.985 -13.830 12.132 1.00 3.67 H new ATOM 0 HE3 LYS A 61 13.512 -13.003 11.899 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 12.696 -13.224 14.257 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 13.154 -11.660 13.778 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 11.509 -12.070 13.880 1.00 4.11 H new ATOM 602 N GLU A 62 13.798 -8.883 8.251 1.00 1.86 N ATOM 603 CA GLU A 62 14.975 -9.172 7.437 1.00 1.95 C ATOM 604 C GLU A 62 15.978 -8.025 7.498 1.00 1.79 C ATOM 605 O GLU A 62 17.177 -8.224 7.302 1.00 1.95 O ATOM 606 CB GLU A 62 14.564 -9.431 5.985 1.00 2.09 C ATOM 607 CG GLU A 62 13.642 -10.628 5.821 1.00 2.41 C ATOM 608 CD GLU A 62 14.247 -11.907 6.364 1.00 3.00 C ATOM 609 OE1 GLU A 62 14.090 -12.171 7.575 1.00 3.14 O ATOM 610 OE2 GLU A 62 14.881 -12.644 5.579 1.00 3.80 O ATOM 0 H GLU A 62 12.909 -9.032 7.773 1.00 1.86 H new ATOM 0 HA GLU A 62 15.452 -10.066 7.839 1.00 1.95 H new ATOM 0 HB2 GLU A 62 14.068 -8.544 5.592 1.00 2.09 H new ATOM 0 HB3 GLU A 62 15.460 -9.587 5.384 1.00 2.09 H new ATOM 0 HG2 GLU A 62 12.700 -10.430 6.333 1.00 2.41 H new ATOM 0 HG3 GLU A 62 13.409 -10.760 4.765 1.00 2.41 H new ATOM 617 N PHE A 63 15.478 -6.827 7.771 1.00 1.55 N ATOM 618 CA PHE A 63 16.325 -5.645 7.861 1.00 1.41 C ATOM 619 C PHE A 63 17.138 -5.663 9.145 1.00 1.54 C ATOM 620 O PHE A 63 18.330 -5.354 9.148 1.00 1.79 O ATOM 621 CB PHE A 63 15.462 -4.384 7.812 1.00 1.10 C ATOM 622 CG PHE A 63 14.636 -4.245 6.559 1.00 0.91 C ATOM 623 CD1 PHE A 63 14.716 -5.181 5.538 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.768 -3.182 6.420 1.00 0.72 C ATOM 625 CE1 PHE A 63 13.945 -5.049 4.399 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.988 -3.045 5.284 1.00 0.88 C ATOM 627 CZ PHE A 63 13.079 -3.980 4.272 1.00 1.02 C ATOM 0 H PHE A 63 14.487 -6.648 7.934 1.00 1.55 H new ATOM 0 HA PHE A 63 17.013 -5.647 7.015 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.796 -4.380 8.675 1.00 1.10 H new ATOM 0 HB3 PHE A 63 16.109 -3.512 7.905 1.00 1.10 H new ATOM 0 HD1 PHE A 63 15.388 -6.021 5.634 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.696 -2.447 7.208 1.00 0.72 H new ATOM 0 HE1 PHE A 63 14.019 -5.781 3.608 1.00 1.22 H new ATOM 0 HE2 PHE A 63 12.310 -2.209 5.190 1.00 0.88 H new ATOM 0 HZ PHE A 63 12.475 -3.876 3.383 1.00 1.02 H new ATOM 637 N GLY A 64 16.479 -6.028 10.233 1.00 1.52 N ATOM 638 CA GLY A 64 17.140 -6.085 11.516 1.00 1.73 C ATOM 639 C GLY A 64 16.885 -4.847 12.350 1.00 1.66 C ATOM 640 O GLY A 64 17.748 -4.415 13.115 1.00 2.32 O ATOM 0 H GLY A 64 15.493 -6.287 10.249 1.00 1.52 H new ATOM 0 HA2 GLY A 64 16.796 -6.964 12.061 1.00 1.73 H new ATOM 0 HA3 GLY A 64 18.213 -6.204 11.364 1.00 1.73 H new ATOM 644 N LEU A 65 15.697 -4.273 12.198 1.00 1.73 N ATOM 645 CA LEU A 65 15.324 -3.076 12.939 1.00 2.08 C ATOM 646 C LEU A 65 16.162 -1.870 12.512 1.00 2.04 C ATOM 647 O LEU A 65 16.172 -0.845 13.192 1.00 2.62 O ATOM 648 CB LEU A 65 15.484 -3.315 14.442 1.00 2.62 C ATOM 649 CG LEU A 65 14.736 -4.534 14.984 1.00 2.98 C ATOM 650 CD1 LEU A 65 14.905 -4.637 16.492 1.00 3.23 C ATOM 651 CD2 LEU A 65 13.262 -4.461 14.615 1.00 3.51 C ATOM 0 H LEU A 65 14.975 -4.619 11.566 1.00 1.73 H new ATOM 0 HA LEU A 65 14.280 -2.858 12.716 1.00 2.08 H new ATOM 0 HB2 LEU A 65 16.545 -3.429 14.666 1.00 2.62 H new ATOM 0 HB3 LEU A 65 15.139 -2.429 14.975 1.00 2.62 H new ATOM 0 HG LEU A 65 15.161 -5.429 14.530 1.00 2.98 H new ATOM 0 HD11 LEU A 65 14.366 -5.510 16.860 1.00 3.23 H new ATOM 0 HD12 LEU A 65 15.963 -4.736 16.734 1.00 3.23 H new ATOM 0 HD13 LEU A 65 14.507 -3.739 16.965 1.00 3.23 H new ATOM 0 HD21 LEU A 65 12.745 -5.336 15.008 1.00 3.51 H new ATOM 0 HD22 LEU A 65 12.824 -3.558 15.042 1.00 3.51 H new ATOM 0 HD23 LEU A 65 13.159 -4.436 13.530 1.00 3.51 H new ATOM 663 N ASP A 66 16.860 -1.995 11.384 1.00 1.94 N ATOM 664 CA ASP A 66 17.693 -0.908 10.877 1.00 2.04 C ATOM 665 C ASP A 66 18.430 -1.329 9.610 1.00 1.41 C ATOM 666 O ASP A 66 19.546 -1.845 9.672 1.00 1.89 O ATOM 667 CB ASP A 66 18.698 -0.463 11.944 1.00 2.97 C ATOM 668 CG ASP A 66 19.660 0.590 11.432 1.00 4.03 C ATOM 669 OD1 ASP A 66 20.697 0.213 10.845 1.00 4.42 O ATOM 670 OD2 ASP A 66 19.379 1.794 11.617 1.00 4.70 O ATOM 0 H ASP A 66 16.865 -2.836 10.806 1.00 1.94 H new ATOM 0 HA ASP A 66 17.040 -0.070 10.633 1.00 2.04 H new ATOM 0 HB2 ASP A 66 18.158 -0.069 12.805 1.00 2.97 H new ATOM 0 HB3 ASP A 66 19.263 -1.329 12.290 1.00 2.97 H new ATOM 675 N SER A 67 17.804 -1.096 8.461 1.00 1.46 N ATOM 676 CA SER A 67 18.409 -1.442 7.180 1.00 2.04 C ATOM 677 C SER A 67 17.843 -0.587 6.057 1.00 2.10 C ATOM 678 O SER A 67 18.585 -0.099 5.207 1.00 2.64 O ATOM 679 CB SER A 67 18.202 -2.922 6.859 1.00 2.55 C ATOM 680 OG SER A 67 19.186 -3.389 5.951 1.00 2.95 O ATOM 0 H SER A 67 16.880 -0.670 8.391 1.00 1.46 H new ATOM 0 HA SER A 67 19.478 -1.246 7.261 1.00 2.04 H new ATOM 0 HB2 SER A 67 18.244 -3.506 7.778 1.00 2.55 H new ATOM 0 HB3 SER A 67 17.210 -3.070 6.433 1.00 2.55 H new ATOM 0 HG SER A 67 19.033 -4.339 5.763 1.00 2.95 H new ATOM 686 N THR A 68 16.524 -0.403 6.061 1.00 1.67 N ATOM 687 CA THR A 68 15.852 0.405 5.042 1.00 1.78 C ATOM 688 C THR A 68 16.623 1.697 4.778 1.00 1.59 C ATOM 689 O THR A 68 17.567 1.698 3.987 1.00 2.23 O ATOM 690 CB THR A 68 14.408 0.704 5.456 1.00 2.14 C ATOM 691 OG1 THR A 68 13.634 -0.478 5.441 1.00 2.77 O ATOM 692 CG2 THR A 68 13.717 1.710 4.561 1.00 2.70 C ATOM 0 H THR A 68 15.897 -0.803 6.759 1.00 1.67 H new ATOM 0 HA THR A 68 15.827 -0.167 4.114 1.00 1.78 H new ATOM 0 HB THR A 68 14.479 1.126 6.459 1.00 2.14 H new ATOM 0 HG1 THR A 68 14.217 -1.252 5.588 1.00 2.77 H new ATOM 0 HG21 THR A 68 12.699 1.872 4.914 1.00 2.70 H new ATOM 0 HG22 THR A 68 14.264 2.653 4.584 1.00 2.70 H new ATOM 0 HG23 THR A 68 13.690 1.330 3.540 1.00 2.70 H new ATOM 700 N ASN A 69 16.231 2.789 5.451 1.00 1.07 N ATOM 701 CA ASN A 69 16.889 4.092 5.301 1.00 1.18 C ATOM 702 C ASN A 69 17.388 4.311 3.873 1.00 1.14 C ATOM 703 O ASN A 69 18.427 4.931 3.652 1.00 2.00 O ATOM 704 CB ASN A 69 18.045 4.185 6.289 1.00 1.57 C ATOM 705 CG ASN A 69 17.598 4.590 7.677 1.00 1.96 C ATOM 706 OD1 ASN A 69 16.686 5.402 7.841 1.00 2.86 O ATOM 707 ND2 ASN A 69 18.238 4.015 8.690 1.00 1.89 N ATOM 0 H ASN A 69 15.453 2.793 6.111 1.00 1.07 H new ATOM 0 HA ASN A 69 16.160 4.875 5.511 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.550 3.221 6.342 1.00 1.57 H new ATOM 0 HB3 ASN A 69 18.774 4.907 5.922 1.00 1.57 H new ATOM 0 HD21 ASN A 69 17.980 4.241 9.651 1.00 1.89 H new ATOM 0 HD22 ASN A 69 18.988 3.348 8.507 1.00 1.89 H new ATOM 714 N ASN A 70 16.629 3.767 2.920 1.00 1.04 N ATOM 715 CA ASN A 70 16.938 3.836 1.495 1.00 1.32 C ATOM 716 C ASN A 70 16.274 2.661 0.784 1.00 1.16 C ATOM 717 O ASN A 70 15.866 1.688 1.419 1.00 1.05 O ATOM 718 CB ASN A 70 18.457 3.816 1.235 1.00 1.70 C ATOM 719 CG ASN A 70 18.800 3.625 -0.232 1.00 1.67 C ATOM 720 OD1 ASN A 70 19.057 2.507 -0.683 1.00 2.23 O ATOM 721 ND2 ASN A 70 18.793 4.716 -0.989 1.00 1.52 N ATOM 0 H ASN A 70 15.769 3.258 3.123 1.00 1.04 H new ATOM 0 HA ASN A 70 16.553 4.779 1.107 1.00 1.32 H new ATOM 0 HB2 ASN A 70 18.894 4.751 1.587 1.00 1.70 H new ATOM 0 HB3 ASN A 70 18.910 3.013 1.817 1.00 1.70 H new ATOM 0 HD21 ASN A 70 19.006 4.648 -1.984 1.00 1.52 H new ATOM 0 HD22 ASN A 70 18.575 5.622 -0.575 1.00 1.52 H new ATOM 728 N ILE A 71 16.160 2.761 -0.529 1.00 1.26 N ATOM 729 CA ILE A 71 15.538 1.718 -1.331 1.00 1.24 C ATOM 730 C ILE A 71 16.181 0.347 -1.123 1.00 1.02 C ATOM 731 O ILE A 71 15.561 -0.676 -1.396 1.00 0.95 O ATOM 732 CB ILE A 71 15.615 2.074 -2.825 1.00 1.56 C ATOM 733 CG1 ILE A 71 15.072 3.483 -3.062 1.00 1.60 C ATOM 734 CG2 ILE A 71 14.854 1.053 -3.657 1.00 2.25 C ATOM 735 CD1 ILE A 71 13.739 3.737 -2.393 1.00 1.84 C ATOM 0 H ILE A 71 16.493 3.561 -1.068 1.00 1.26 H new ATOM 0 HA ILE A 71 14.500 1.659 -1.002 1.00 1.24 H new ATOM 0 HB ILE A 71 16.660 2.052 -3.136 1.00 1.56 H new ATOM 0 HG12 ILE A 71 15.797 4.210 -2.696 1.00 1.60 H new ATOM 0 HG13 ILE A 71 14.969 3.648 -4.134 1.00 1.60 H new ATOM 0 HG21 ILE A 71 14.920 1.321 -4.711 1.00 2.25 H new ATOM 0 HG22 ILE A 71 15.288 0.065 -3.506 1.00 2.25 H new ATOM 0 HG23 ILE A 71 13.808 1.040 -3.350 1.00 2.25 H new ATOM 0 HD11 ILE A 71 13.414 4.756 -2.604 1.00 1.84 H new ATOM 0 HD12 ILE A 71 13.000 3.034 -2.777 1.00 1.84 H new ATOM 0 HD13 ILE A 71 13.841 3.604 -1.316 1.00 1.84 H new ATOM 747 N GLU A 72 17.428 0.320 -0.667 1.00 1.00 N ATOM 748 CA GLU A 72 18.136 -0.946 -0.468 1.00 0.97 C ATOM 749 C GLU A 72 17.271 -1.990 0.246 1.00 0.79 C ATOM 750 O GLU A 72 16.928 -3.028 -0.328 1.00 0.78 O ATOM 751 CB GLU A 72 19.420 -0.706 0.329 1.00 1.11 C ATOM 752 CG GLU A 72 20.375 -1.892 0.330 1.00 1.49 C ATOM 753 CD GLU A 72 19.831 -3.087 1.089 1.00 1.95 C ATOM 754 OE1 GLU A 72 20.073 -3.174 2.311 1.00 2.49 O ATOM 755 OE2 GLU A 72 19.162 -3.935 0.462 1.00 2.41 O ATOM 0 H GLU A 72 17.969 1.151 -0.429 1.00 1.00 H new ATOM 0 HA GLU A 72 18.378 -1.341 -1.455 1.00 0.97 H new ATOM 0 HB2 GLU A 72 19.935 0.162 -0.082 1.00 1.11 H new ATOM 0 HB3 GLU A 72 19.157 -0.463 1.358 1.00 1.11 H new ATOM 0 HG2 GLU A 72 20.583 -2.185 -0.699 1.00 1.49 H new ATOM 0 HG3 GLU A 72 21.324 -1.588 0.773 1.00 1.49 H new ATOM 762 N ALA A 73 16.915 -1.719 1.497 1.00 0.70 N ATOM 763 CA ALA A 73 16.099 -2.653 2.264 1.00 0.60 C ATOM 764 C ALA A 73 14.626 -2.495 1.931 1.00 0.54 C ATOM 765 O ALA A 73 13.909 -3.484 1.776 1.00 0.56 O ATOM 766 CB ALA A 73 16.337 -2.477 3.754 1.00 0.66 C ATOM 0 H ALA A 73 17.175 -0.869 1.997 1.00 0.70 H new ATOM 0 HA ALA A 73 16.397 -3.664 1.987 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.718 -3.184 4.307 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.388 -2.661 3.979 1.00 0.66 H new ATOM 0 HB3 ALA A 73 16.076 -1.460 4.046 1.00 0.66 H new ATOM 772 N ALA A 74 14.172 -1.251 1.811 1.00 0.56 N ATOM 773 CA ALA A 74 12.780 -0.991 1.482 1.00 0.65 C ATOM 774 C ALA A 74 12.392 -1.749 0.222 1.00 0.63 C ATOM 775 O ALA A 74 11.277 -2.248 0.107 1.00 0.73 O ATOM 776 CB ALA A 74 12.530 0.496 1.308 1.00 0.77 C ATOM 0 H ALA A 74 14.744 -0.416 1.936 1.00 0.56 H new ATOM 0 HA ALA A 74 12.160 -1.340 2.308 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.481 0.662 1.062 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.773 1.017 2.234 1.00 0.77 H new ATOM 0 HB3 ALA A 74 13.156 0.878 0.502 1.00 0.77 H new ATOM 782 N LYS A 75 13.331 -1.849 -0.714 1.00 0.60 N ATOM 783 CA LYS A 75 13.087 -2.572 -1.952 1.00 0.69 C ATOM 784 C LYS A 75 12.992 -4.059 -1.666 1.00 0.68 C ATOM 785 O LYS A 75 12.134 -4.750 -2.214 1.00 0.81 O ATOM 786 CB LYS A 75 14.195 -2.302 -2.974 1.00 0.81 C ATOM 787 CG LYS A 75 14.038 -3.078 -4.274 1.00 1.26 C ATOM 788 CD LYS A 75 14.772 -4.412 -4.235 1.00 1.49 C ATOM 789 CE LYS A 75 16.280 -4.223 -4.168 1.00 1.90 C ATOM 790 NZ LYS A 75 16.794 -3.432 -5.321 1.00 2.16 N ATOM 0 H LYS A 75 14.262 -1.440 -0.637 1.00 0.60 H new ATOM 0 HA LYS A 75 12.145 -2.223 -2.375 1.00 0.69 H new ATOM 0 HB2 LYS A 75 14.216 -1.236 -3.199 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.157 -2.552 -2.527 1.00 0.81 H new ATOM 0 HG2 LYS A 75 12.979 -3.252 -4.466 1.00 1.26 H new ATOM 0 HG3 LYS A 75 14.418 -2.479 -5.102 1.00 1.26 H new ATOM 0 HD2 LYS A 75 14.438 -4.986 -3.370 1.00 1.49 H new ATOM 0 HD3 LYS A 75 14.517 -4.994 -5.121 1.00 1.49 H new ATOM 0 HE2 LYS A 75 16.541 -3.719 -3.237 1.00 1.90 H new ATOM 0 HE3 LYS A 75 16.767 -5.198 -4.151 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 17.825 -3.551 -5.392 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 16.346 -3.766 -6.198 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 16.571 -2.426 -5.179 1.00 2.16 H new ATOM 804 N LYS A 76 13.878 -4.555 -0.799 1.00 0.60 N ATOM 805 CA LYS A 76 13.881 -5.974 -0.446 1.00 0.66 C ATOM 806 C LYS A 76 12.464 -6.467 -0.158 1.00 0.60 C ATOM 807 O LYS A 76 11.939 -7.331 -0.866 1.00 0.68 O ATOM 808 CB LYS A 76 14.775 -6.217 0.779 1.00 0.73 C ATOM 809 CG LYS A 76 14.918 -7.685 1.155 1.00 0.96 C ATOM 810 CD LYS A 76 13.851 -8.130 2.148 1.00 1.23 C ATOM 811 CE LYS A 76 13.872 -9.637 2.343 1.00 2.08 C ATOM 812 NZ LYS A 76 13.615 -10.365 1.069 1.00 2.52 N ATOM 0 H LYS A 76 14.596 -4.000 -0.333 1.00 0.60 H new ATOM 0 HA LYS A 76 14.277 -6.532 -1.295 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.764 -5.804 0.582 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.365 -5.672 1.630 1.00 0.73 H new ATOM 0 HG2 LYS A 76 14.853 -8.297 0.255 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.905 -7.854 1.585 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.013 -7.635 3.105 1.00 1.23 H new ATOM 0 HD3 LYS A 76 12.868 -7.821 1.792 1.00 1.23 H new ATOM 0 HE2 LYS A 76 14.840 -9.938 2.744 1.00 2.08 H new ATOM 0 HE3 LYS A 76 13.120 -9.918 3.080 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 13.287 -11.329 1.280 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 12.886 -9.863 0.523 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 14.493 -10.412 0.513 1.00 2.52 H new ATOM 826 N VAL A 77 11.841 -5.912 0.875 1.00 0.54 N ATOM 827 CA VAL A 77 10.486 -6.304 1.234 1.00 0.59 C ATOM 828 C VAL A 77 9.455 -5.505 0.449 1.00 0.57 C ATOM 829 O VAL A 77 8.460 -6.057 -0.021 1.00 0.62 O ATOM 830 CB VAL A 77 10.206 -6.158 2.741 1.00 0.76 C ATOM 831 CG1 VAL A 77 8.993 -6.991 3.126 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.415 -6.561 3.575 1.00 1.61 C ATOM 0 H VAL A 77 12.250 -5.195 1.474 1.00 0.54 H new ATOM 0 HA VAL A 77 10.401 -7.360 0.977 1.00 0.59 H new ATOM 0 HB VAL A 77 10.000 -5.108 2.947 1.00 0.76 H new ATOM 0 HG11 VAL A 77 8.801 -6.883 4.194 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.124 -6.649 2.565 1.00 1.04 H new ATOM 0 HG13 VAL A 77 9.184 -8.039 2.896 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.182 -6.445 4.633 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.668 -7.601 3.371 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.262 -5.925 3.319 1.00 1.61 H new ATOM 842 N GLY A 78 9.700 -4.202 0.295 1.00 0.61 N ATOM 843 CA GLY A 78 8.780 -3.357 -0.454 1.00 0.76 C ATOM 844 C GLY A 78 8.379 -4.007 -1.764 1.00 0.78 C ATOM 845 O GLY A 78 7.226 -3.923 -2.189 1.00 0.94 O ATOM 0 H GLY A 78 10.515 -3.719 0.674 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.891 -3.163 0.146 1.00 0.76 H new ATOM 0 HA3 GLY A 78 9.248 -2.393 -0.652 1.00 0.76 H new ATOM 849 N GLU A 79 9.342 -4.684 -2.389 1.00 0.70 N ATOM 850 CA GLU A 79 9.095 -5.383 -3.641 1.00 0.82 C ATOM 851 C GLU A 79 8.458 -6.734 -3.348 1.00 0.77 C ATOM 852 O GLU A 79 7.544 -7.169 -4.050 1.00 0.79 O ATOM 853 CB GLU A 79 10.397 -5.558 -4.435 1.00 0.91 C ATOM 854 CG GLU A 79 11.314 -6.649 -3.899 1.00 1.18 C ATOM 855 CD GLU A 79 10.940 -8.028 -4.407 1.00 1.88 C ATOM 856 OE1 GLU A 79 11.085 -8.272 -5.625 1.00 2.16 O ATOM 857 OE2 GLU A 79 10.513 -8.867 -3.588 1.00 2.67 O ATOM 0 H GLU A 79 10.299 -4.761 -2.045 1.00 0.70 H new ATOM 0 HA GLU A 79 8.413 -4.790 -4.250 1.00 0.82 H new ATOM 0 HB2 GLU A 79 10.149 -5.785 -5.472 1.00 0.91 H new ATOM 0 HB3 GLU A 79 10.939 -4.612 -4.436 1.00 0.91 H new ATOM 0 HG2 GLU A 79 12.342 -6.427 -4.185 1.00 1.18 H new ATOM 0 HG3 GLU A 79 11.278 -6.645 -2.810 1.00 1.18 H new ATOM 864 N LEU A 80 8.931 -7.385 -2.285 1.00 0.76 N ATOM 865 CA LEU A 80 8.390 -8.675 -1.880 1.00 0.78 C ATOM 866 C LEU A 80 6.878 -8.566 -1.718 1.00 0.72 C ATOM 867 O LEU A 80 6.129 -9.435 -2.164 1.00 0.73 O ATOM 868 CB LEU A 80 9.035 -9.133 -0.567 1.00 0.86 C ATOM 869 CG LEU A 80 8.722 -10.572 -0.149 1.00 1.28 C ATOM 870 CD1 LEU A 80 9.601 -10.988 1.022 1.00 1.69 C ATOM 871 CD2 LEU A 80 7.252 -10.718 0.212 1.00 2.00 C ATOM 0 H LEU A 80 9.686 -7.038 -1.693 1.00 0.76 H new ATOM 0 HA LEU A 80 8.614 -9.414 -2.649 1.00 0.78 H new ATOM 0 HB2 LEU A 80 10.116 -9.025 -0.656 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.712 -8.463 0.230 1.00 0.86 H new ATOM 0 HG LEU A 80 8.934 -11.228 -0.993 1.00 1.28 H new ATOM 0 HD11 LEU A 80 9.366 -12.013 1.307 1.00 1.69 H new ATOM 0 HD12 LEU A 80 10.649 -10.923 0.731 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.418 -10.325 1.868 1.00 1.69 H new ATOM 0 HD21 LEU A 80 7.050 -11.748 0.506 1.00 2.00 H new ATOM 0 HD22 LEU A 80 7.013 -10.051 1.040 1.00 2.00 H new ATOM 0 HD23 LEU A 80 6.638 -10.460 -0.651 1.00 2.00 H new ATOM 883 N VAL A 81 6.439 -7.475 -1.095 1.00 0.75 N ATOM 884 CA VAL A 81 5.019 -7.232 -0.894 1.00 0.76 C ATOM 885 C VAL A 81 4.352 -6.897 -2.222 1.00 0.74 C ATOM 886 O VAL A 81 3.212 -7.286 -2.475 1.00 0.74 O ATOM 887 CB VAL A 81 4.773 -6.082 0.102 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.406 -4.791 -0.397 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.283 -5.896 0.336 1.00 0.95 C ATOM 0 H VAL A 81 7.049 -6.747 -0.722 1.00 0.75 H new ATOM 0 HA VAL A 81 4.587 -8.143 -0.479 1.00 0.76 H new ATOM 0 HB VAL A 81 5.242 -6.342 1.051 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.220 -3.993 0.322 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.481 -4.933 -0.511 1.00 1.14 H new ATOM 0 HG13 VAL A 81 4.972 -4.521 -1.360 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.125 -5.080 1.042 1.00 0.95 H new ATOM 0 HG22 VAL A 81 2.793 -5.659 -0.608 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.861 -6.815 0.743 1.00 0.95 H new ATOM 899 N ALA A 82 5.084 -6.184 -3.077 1.00 0.81 N ATOM 900 CA ALA A 82 4.574 -5.812 -4.389 1.00 0.87 C ATOM 901 C ALA A 82 4.093 -7.047 -5.137 1.00 0.79 C ATOM 902 O ALA A 82 3.052 -7.025 -5.794 1.00 0.85 O ATOM 903 CB ALA A 82 5.646 -5.087 -5.187 1.00 1.03 C ATOM 0 H ALA A 82 6.030 -5.855 -2.882 1.00 0.81 H new ATOM 0 HA ALA A 82 3.728 -5.137 -4.257 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.250 -4.815 -6.165 1.00 1.03 H new ATOM 0 HB2 ALA A 82 5.948 -4.185 -4.655 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.509 -5.740 -5.314 1.00 1.03 H new ATOM 909 N LYS A 83 4.855 -8.131 -5.021 1.00 0.81 N ATOM 910 CA LYS A 83 4.505 -9.385 -5.671 1.00 0.89 C ATOM 911 C LYS A 83 3.222 -9.941 -5.067 1.00 0.81 C ATOM 912 O LYS A 83 2.240 -10.180 -5.768 1.00 0.90 O ATOM 913 CB LYS A 83 5.640 -10.398 -5.520 1.00 1.06 C ATOM 914 CG LYS A 83 5.420 -11.680 -6.307 1.00 1.43 C ATOM 915 CD LYS A 83 6.592 -12.635 -6.158 1.00 1.75 C ATOM 916 CE LYS A 83 6.764 -13.088 -4.717 1.00 2.04 C ATOM 917 NZ LYS A 83 5.565 -13.815 -4.216 1.00 2.68 N ATOM 0 H LYS A 83 5.720 -8.164 -4.481 1.00 0.81 H new ATOM 0 HA LYS A 83 4.346 -9.198 -6.733 1.00 0.89 H new ATOM 0 HB2 LYS A 83 6.573 -9.937 -5.845 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.758 -10.645 -4.465 1.00 1.06 H new ATOM 0 HG2 LYS A 83 4.507 -12.167 -5.963 1.00 1.43 H new ATOM 0 HG3 LYS A 83 5.276 -11.441 -7.361 1.00 1.43 H new ATOM 0 HD2 LYS A 83 6.438 -13.504 -6.797 1.00 1.75 H new ATOM 0 HD3 LYS A 83 7.505 -12.147 -6.498 1.00 1.75 H new ATOM 0 HE2 LYS A 83 7.638 -13.735 -4.642 1.00 2.04 H new ATOM 0 HE3 LYS A 83 6.953 -12.221 -4.084 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 5.798 -14.294 -3.323 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 4.791 -13.139 -4.055 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 5.267 -14.520 -4.920 1.00 2.68 H new ATOM 931 N ARG A 84 3.232 -10.121 -3.754 1.00 0.81 N ATOM 932 CA ARG A 84 2.064 -10.624 -3.052 1.00 0.84 C ATOM 933 C ARG A 84 0.875 -9.704 -3.299 1.00 0.61 C ATOM 934 O ARG A 84 -0.275 -10.144 -3.321 1.00 0.71 O ATOM 935 CB ARG A 84 2.349 -10.718 -1.552 1.00 1.13 C ATOM 936 CG ARG A 84 1.221 -11.348 -0.756 1.00 1.39 C ATOM 937 CD ARG A 84 1.243 -12.863 -0.863 1.00 1.98 C ATOM 938 NE ARG A 84 0.192 -13.481 -0.060 1.00 2.44 N ATOM 939 CZ ARG A 84 0.232 -14.739 0.367 1.00 3.11 C ATOM 940 NH1 ARG A 84 1.265 -15.514 0.066 1.00 3.54 N ATOM 941 NH2 ARG A 84 -0.763 -15.223 1.098 1.00 3.69 N ATOM 0 H ARG A 84 4.035 -9.926 -3.156 1.00 0.81 H new ATOM 0 HA ARG A 84 1.829 -11.620 -3.428 1.00 0.84 H new ATOM 0 HB2 ARG A 84 3.258 -11.299 -1.399 1.00 1.13 H new ATOM 0 HB3 ARG A 84 2.541 -9.718 -1.164 1.00 1.13 H new ATOM 0 HG2 ARG A 84 1.305 -11.055 0.290 1.00 1.39 H new ATOM 0 HG3 ARG A 84 0.264 -10.971 -1.117 1.00 1.39 H new ATOM 0 HD2 ARG A 84 1.122 -13.155 -1.906 1.00 1.98 H new ATOM 0 HD3 ARG A 84 2.214 -13.236 -0.538 1.00 1.98 H new ATOM 0 HE ARG A 84 -0.620 -12.915 0.188 1.00 2.44 H new ATOM 0 HH11 ARG A 84 2.033 -15.145 -0.495 1.00 3.54 H new ATOM 0 HH12 ARG A 84 1.292 -16.479 0.396 1.00 3.54 H new ATOM 0 HH21 ARG A 84 -1.559 -14.630 1.333 1.00 3.69 H new ATOM 0 HH22 ARG A 84 -0.732 -16.188 1.426 1.00 3.69 H new ATOM 955 N ALA A 85 1.168 -8.420 -3.487 1.00 0.61 N ATOM 956 CA ALA A 85 0.136 -7.419 -3.732 1.00 0.80 C ATOM 957 C ALA A 85 -0.427 -7.526 -5.145 1.00 1.06 C ATOM 958 O ALA A 85 -1.642 -7.592 -5.331 1.00 1.38 O ATOM 959 CB ALA A 85 0.692 -6.024 -3.494 1.00 1.21 C ATOM 0 H ALA A 85 2.118 -8.048 -3.474 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.680 -7.606 -3.034 1.00 0.80 H new ATOM 0 HB1 ALA A 85 -0.087 -5.285 -3.680 1.00 1.21 H new ATOM 0 HB2 ALA A 85 1.033 -5.940 -2.462 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.529 -5.846 -4.169 1.00 1.21 H new ATOM 965 N LEU A 86 0.456 -7.529 -6.142 1.00 1.11 N ATOM 966 CA LEU A 86 0.024 -7.614 -7.533 1.00 1.61 C ATOM 967 C LEU A 86 -0.789 -8.884 -7.795 1.00 1.90 C ATOM 968 O LEU A 86 -1.490 -8.978 -8.802 1.00 2.47 O ATOM 969 CB LEU A 86 1.225 -7.527 -8.485 1.00 1.64 C ATOM 970 CG LEU A 86 2.305 -8.593 -8.303 1.00 1.91 C ATOM 971 CD1 LEU A 86 1.796 -9.953 -8.752 1.00 2.52 C ATOM 972 CD2 LEU A 86 3.561 -8.212 -9.075 1.00 1.92 C ATOM 0 H LEU A 86 1.466 -7.474 -6.013 1.00 1.11 H new ATOM 0 HA LEU A 86 -0.628 -6.762 -7.726 1.00 1.61 H new ATOM 0 HB2 LEU A 86 0.856 -7.584 -9.509 1.00 1.64 H new ATOM 0 HB3 LEU A 86 1.687 -6.547 -8.366 1.00 1.64 H new ATOM 0 HG LEU A 86 2.554 -8.654 -7.244 1.00 1.91 H new ATOM 0 HD11 LEU A 86 2.579 -10.698 -8.615 1.00 2.52 H new ATOM 0 HD12 LEU A 86 0.924 -10.229 -8.159 1.00 2.52 H new ATOM 0 HD13 LEU A 86 1.519 -9.908 -9.805 1.00 2.52 H new ATOM 0 HD21 LEU A 86 4.321 -8.981 -8.936 1.00 1.92 H new ATOM 0 HD22 LEU A 86 3.324 -8.124 -10.135 1.00 1.92 H new ATOM 0 HD23 LEU A 86 3.939 -7.258 -8.708 1.00 1.92 H new ATOM 984 N GLU A 87 -0.702 -9.858 -6.887 1.00 1.70 N ATOM 985 CA GLU A 87 -1.446 -11.108 -7.041 1.00 2.11 C ATOM 986 C GLU A 87 -2.877 -10.976 -6.522 1.00 1.86 C ATOM 987 O GLU A 87 -3.836 -11.129 -7.277 1.00 2.33 O ATOM 988 CB GLU A 87 -0.738 -12.253 -6.309 1.00 2.40 C ATOM 989 CG GLU A 87 0.585 -12.660 -6.936 1.00 2.35 C ATOM 990 CD GLU A 87 1.108 -13.974 -6.389 1.00 2.89 C ATOM 991 OE1 GLU A 87 1.802 -13.949 -5.351 1.00 3.30 O ATOM 992 OE2 GLU A 87 0.822 -15.026 -6.997 1.00 3.20 O ATOM 0 H GLU A 87 -0.129 -9.806 -6.045 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.485 -11.332 -8.107 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -0.563 -11.957 -5.275 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -1.399 -13.119 -6.285 1.00 2.40 H new ATOM 0 HG2 GLU A 87 0.461 -12.743 -8.016 1.00 2.35 H new ATOM 0 HG3 GLU A 87 1.323 -11.877 -6.759 1.00 2.35 H new ATOM 999 N LYS A 88 -3.017 -10.698 -5.226 1.00 1.30 N ATOM 1000 CA LYS A 88 -4.334 -10.555 -4.609 1.00 1.38 C ATOM 1001 C LYS A 88 -5.199 -9.553 -5.365 1.00 1.33 C ATOM 1002 O LYS A 88 -6.310 -9.872 -5.789 1.00 2.14 O ATOM 1003 CB LYS A 88 -4.194 -10.121 -3.149 1.00 1.54 C ATOM 1004 CG LYS A 88 -3.940 -11.274 -2.191 1.00 1.94 C ATOM 1005 CD LYS A 88 -2.713 -12.078 -2.592 1.00 1.92 C ATOM 1006 CE LYS A 88 -2.521 -13.288 -1.691 1.00 2.31 C ATOM 1007 NZ LYS A 88 -3.701 -14.195 -1.720 1.00 3.30 N ATOM 0 H LYS A 88 -2.235 -10.568 -4.584 1.00 1.30 H new ATOM 0 HA LYS A 88 -4.825 -11.527 -4.651 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.375 -9.406 -3.069 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -5.102 -9.601 -2.845 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -3.807 -10.886 -1.181 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -4.812 -11.928 -2.169 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -2.814 -12.406 -3.627 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -1.829 -11.443 -2.543 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -1.633 -13.837 -2.005 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -2.344 -12.955 -0.668 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -3.379 -15.181 -1.790 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -4.254 -14.073 -0.848 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -4.295 -13.965 -2.542 1.00 3.30 H new ATOM 1021 N GLY A 89 -4.684 -8.340 -5.528 1.00 1.17 N ATOM 1022 CA GLY A 89 -5.421 -7.305 -6.227 1.00 1.54 C ATOM 1023 C GLY A 89 -5.841 -7.713 -7.627 1.00 1.65 C ATOM 1024 O GLY A 89 -6.722 -7.089 -8.212 1.00 2.42 O ATOM 0 H GLY A 89 -3.766 -8.054 -5.187 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -6.308 -7.046 -5.649 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -4.806 -6.407 -6.286 1.00 1.54 H new ATOM 1028 N ILE A 90 -5.180 -8.746 -8.162 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.433 -9.259 -9.516 1.00 1.78 C ATOM 1030 C ILE A 90 -4.459 -8.624 -10.500 1.00 1.49 C ATOM 1031 O ILE A 90 -4.137 -9.203 -11.537 1.00 1.75 O ATOM 1032 CB ILE A 90 -6.879 -9.023 -10.013 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -7.894 -9.582 -9.014 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -7.072 -9.667 -11.377 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -7.725 -11.061 -8.746 1.00 3.26 C ATOM 0 H ILE A 90 -4.449 -9.254 -7.665 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.288 -10.338 -9.462 1.00 1.78 H new ATOM 0 HB ILE A 90 -7.044 -7.949 -10.101 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -7.804 -9.038 -8.074 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -8.901 -9.402 -9.392 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -8.093 -9.496 -11.719 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -6.372 -9.228 -12.089 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -6.889 -10.739 -11.302 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -8.478 -11.389 -8.029 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -7.844 -11.615 -9.677 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -6.731 -11.246 -8.339 1.00 3.26 H new ATOM 1047 N LYS A 91 -3.981 -7.435 -10.149 1.00 1.32 N ATOM 1048 CA LYS A 91 -3.029 -6.710 -10.967 1.00 1.13 C ATOM 1049 C LYS A 91 -2.046 -5.976 -10.066 1.00 1.05 C ATOM 1050 O LYS A 91 -2.256 -5.876 -8.858 1.00 1.59 O ATOM 1051 CB LYS A 91 -3.755 -5.724 -11.884 1.00 1.58 C ATOM 1052 CG LYS A 91 -4.845 -6.372 -12.722 1.00 2.04 C ATOM 1053 CD LYS A 91 -5.546 -5.359 -13.610 1.00 2.66 C ATOM 1054 CE LYS A 91 -6.711 -5.988 -14.359 1.00 3.45 C ATOM 1055 NZ LYS A 91 -6.281 -7.158 -15.174 1.00 3.95 N ATOM 0 H LYS A 91 -4.245 -6.952 -9.290 1.00 1.32 H new ATOM 0 HA LYS A 91 -2.483 -7.415 -11.594 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -4.195 -4.932 -11.278 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -3.029 -5.253 -12.547 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -4.411 -7.158 -13.339 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -5.574 -6.848 -12.066 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -5.908 -4.529 -13.002 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -4.834 -4.945 -14.324 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -7.473 -6.303 -13.646 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -7.170 -5.242 -15.008 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -7.060 -7.453 -15.796 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -5.457 -6.895 -15.752 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -6.025 -7.945 -14.544 1.00 3.95 H new ATOM 1069 N GLN A 92 -0.978 -5.466 -10.652 1.00 0.75 N ATOM 1070 CA GLN A 92 0.033 -4.743 -9.896 1.00 0.67 C ATOM 1071 C GLN A 92 -0.523 -3.436 -9.375 1.00 0.54 C ATOM 1072 O GLN A 92 -1.203 -2.721 -10.100 1.00 0.77 O ATOM 1073 CB GLN A 92 1.226 -4.426 -10.785 1.00 0.79 C ATOM 1074 CG GLN A 92 2.033 -5.625 -11.256 1.00 1.38 C ATOM 1075 CD GLN A 92 1.223 -6.613 -12.073 1.00 2.14 C ATOM 1076 OE1 GLN A 92 0.258 -6.239 -12.739 1.00 3.03 O ATOM 1077 NE2 GLN A 92 1.613 -7.881 -12.029 1.00 2.16 N ATOM 0 H GLN A 92 -0.787 -5.538 -11.651 1.00 0.75 H new ATOM 0 HA GLN A 92 0.338 -5.375 -9.062 1.00 0.67 H new ATOM 0 HB2 GLN A 92 0.869 -3.884 -11.661 1.00 0.79 H new ATOM 0 HB3 GLN A 92 1.891 -3.753 -10.243 1.00 0.79 H new ATOM 0 HG2 GLN A 92 2.875 -5.275 -11.853 1.00 1.38 H new ATOM 0 HG3 GLN A 92 2.449 -6.137 -10.388 1.00 1.38 H new ATOM 0 HE21 GLN A 92 2.419 -8.147 -11.463 1.00 2.16 H new ATOM 0 HE22 GLN A 92 1.107 -8.589 -12.561 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.177 -3.087 -8.145 1.00 0.43 N ATOM 1087 CA VAL A 93 -0.609 -1.821 -7.596 1.00 0.44 C ATOM 1088 C VAL A 93 0.401 -1.291 -6.635 1.00 0.75 C ATOM 1089 O VAL A 93 0.551 -1.805 -5.530 1.00 1.27 O ATOM 1090 CB VAL A 93 -1.935 -1.926 -6.813 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -1.820 -2.906 -5.657 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -2.352 -0.553 -6.281 1.00 1.73 C ATOM 0 H VAL A 93 0.393 -3.656 -7.520 1.00 0.43 H new ATOM 0 HA VAL A 93 -0.739 -1.165 -8.457 1.00 0.44 H new ATOM 0 HB VAL A 93 -2.695 -2.294 -7.503 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -2.771 -2.956 -5.127 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -1.566 -3.894 -6.041 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -1.040 -2.572 -4.973 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -3.289 -0.645 -5.731 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -1.578 -0.170 -5.617 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -2.487 0.135 -7.116 1.00 1.73 H new ATOM 1102 N VAL A 94 1.003 -0.198 -7.001 1.00 1.05 N ATOM 1103 CA VAL A 94 1.893 0.444 -6.096 1.00 1.51 C ATOM 1104 C VAL A 94 2.111 1.900 -6.442 1.00 1.18 C ATOM 1105 O VAL A 94 3.132 2.259 -7.015 1.00 1.87 O ATOM 1106 CB VAL A 94 3.255 -0.278 -6.045 1.00 2.63 C ATOM 1107 CG1 VAL A 94 3.145 -1.611 -5.325 1.00 3.59 C ATOM 1108 CG2 VAL A 94 3.798 -0.476 -7.453 1.00 3.01 C ATOM 0 H VAL A 94 0.893 0.258 -7.907 1.00 1.05 H new ATOM 0 HA VAL A 94 1.420 0.393 -5.115 1.00 1.51 H new ATOM 0 HB VAL A 94 3.949 0.347 -5.484 1.00 2.63 H new ATOM 0 HG11 VAL A 94 4.121 -2.096 -5.306 1.00 3.59 H new ATOM 0 HG12 VAL A 94 2.802 -1.446 -4.304 1.00 3.59 H new ATOM 0 HG13 VAL A 94 2.433 -2.250 -5.848 1.00 3.59 H new ATOM 0 HG21 VAL A 94 4.760 -0.987 -7.404 1.00 3.01 H new ATOM 0 HG22 VAL A 94 3.097 -1.077 -8.032 1.00 3.01 H new ATOM 0 HG23 VAL A 94 3.927 0.494 -7.933 1.00 3.01 H new ATOM 1118 N PHE A 95 1.206 2.747 -6.001 1.00 0.67 N ATOM 1119 CA PHE A 95 1.376 4.174 -6.175 1.00 0.49 C ATOM 1120 C PHE A 95 0.271 4.954 -5.487 1.00 0.59 C ATOM 1121 O PHE A 95 -0.790 5.197 -6.060 1.00 1.09 O ATOM 1122 CB PHE A 95 1.515 4.546 -7.636 1.00 0.90 C ATOM 1123 CG PHE A 95 0.270 4.338 -8.424 1.00 1.91 C ATOM 1124 CD1 PHE A 95 -0.156 3.066 -8.752 1.00 2.38 C ATOM 1125 CD2 PHE A 95 -0.464 5.423 -8.841 1.00 2.81 C ATOM 1126 CE1 PHE A 95 -1.308 2.878 -9.489 1.00 3.55 C ATOM 1127 CE2 PHE A 95 -1.621 5.250 -9.579 1.00 3.99 C ATOM 1128 CZ PHE A 95 -2.051 3.929 -9.880 1.00 4.33 C ATOM 0 H PHE A 95 0.348 2.474 -5.521 1.00 0.67 H new ATOM 0 HA PHE A 95 2.311 4.454 -5.690 1.00 0.49 H new ATOM 0 HB2 PHE A 95 1.811 5.592 -7.709 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.318 3.956 -8.078 1.00 0.90 H new ATOM 0 HD1 PHE A 95 0.418 2.210 -8.429 1.00 2.38 H new ATOM 0 HD2 PHE A 95 -0.134 6.420 -8.590 1.00 2.81 H new ATOM 0 HE1 PHE A 95 -1.616 1.877 -9.754 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -2.188 6.104 -9.921 1.00 3.99 H new ATOM 0 HZ PHE A 95 -2.972 3.770 -10.421 1.00 4.33 H new ATOM 1138 N ASP A 96 0.534 5.341 -4.249 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.427 6.094 -3.457 1.00 0.81 C ATOM 1140 C ASP A 96 -0.963 7.282 -4.239 1.00 0.85 C ATOM 1141 O ASP A 96 -0.434 7.633 -5.294 1.00 1.36 O ATOM 1142 CB ASP A 96 0.239 6.570 -2.159 1.00 1.11 C ATOM 1143 CG ASP A 96 -0.742 7.175 -1.174 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -1.920 6.760 -1.177 1.00 2.45 O ATOM 1145 OD2 ASP A 96 -0.333 8.068 -0.403 1.00 1.69 O ATOM 0 H ASP A 96 1.412 5.145 -3.768 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.267 5.443 -3.216 1.00 0.81 H new ATOM 0 HB2 ASP A 96 0.745 5.728 -1.687 1.00 1.11 H new ATOM 0 HB3 ASP A 96 1.004 7.308 -2.400 1.00 1.11 H new ATOM 1150 N ARG A 97 -2.012 7.913 -3.710 1.00 0.97 N ATOM 1151 CA ARG A 97 -2.617 9.077 -4.351 1.00 1.31 C ATOM 1152 C ARG A 97 -1.547 10.030 -4.878 1.00 1.52 C ATOM 1153 O ARG A 97 -1.777 10.762 -5.841 1.00 1.99 O ATOM 1154 CB ARG A 97 -3.519 9.817 -3.363 1.00 1.45 C ATOM 1155 CG ARG A 97 -2.782 10.310 -2.130 1.00 1.62 C ATOM 1156 CD ARG A 97 -3.676 11.163 -1.246 1.00 1.98 C ATOM 1157 NE ARG A 97 -2.962 11.671 -0.079 1.00 2.55 N ATOM 1158 CZ ARG A 97 -3.502 12.492 0.816 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -4.760 12.889 0.679 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -2.786 12.913 1.849 1.00 4.10 N ATOM 0 H ARG A 97 -2.460 7.635 -2.837 1.00 0.97 H new ATOM 0 HA ARG A 97 -3.214 8.724 -5.192 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -3.978 10.667 -3.867 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -4.328 9.155 -3.054 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -2.414 9.457 -1.560 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -1.911 10.890 -2.434 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -4.067 12.000 -1.825 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -4.533 10.573 -0.919 1.00 1.98 H new ATOM 0 HE ARG A 97 -1.994 11.380 0.058 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -5.314 12.564 -0.114 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -5.174 13.519 1.366 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -1.819 12.607 1.958 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -3.202 13.543 2.535 1.00 4.10 H new ATOM 1174 N GLY A 98 -0.372 10.009 -4.250 1.00 1.57 N ATOM 1175 CA GLY A 98 0.704 10.869 -4.691 1.00 1.94 C ATOM 1176 C GLY A 98 1.616 10.163 -5.668 1.00 1.60 C ATOM 1177 O GLY A 98 1.194 9.791 -6.763 1.00 2.16 O ATOM 0 H GLY A 98 -0.151 9.415 -3.450 1.00 1.57 H new ATOM 0 HA2 GLY A 98 0.289 11.761 -5.160 1.00 1.94 H new ATOM 0 HA3 GLY A 98 1.282 11.202 -3.828 1.00 1.94 H new ATOM 1181 N GLY A 99 2.861 9.963 -5.266 1.00 1.23 N ATOM 1182 CA GLY A 99 3.816 9.282 -6.116 1.00 1.25 C ATOM 1183 C GLY A 99 4.006 9.955 -7.463 1.00 1.56 C ATOM 1184 O GLY A 99 3.109 10.624 -7.976 1.00 2.33 O ATOM 0 H GLY A 99 3.229 10.261 -4.363 1.00 1.23 H new ATOM 0 HA2 GLY A 99 4.777 9.232 -5.604 1.00 1.25 H new ATOM 0 HA3 GLY A 99 3.485 8.256 -6.274 1.00 1.25 H new ATOM 1188 N TYR A 100 5.188 9.762 -8.028 1.00 1.47 N ATOM 1189 CA TYR A 100 5.549 10.322 -9.325 1.00 1.80 C ATOM 1190 C TYR A 100 5.655 9.184 -10.347 1.00 1.69 C ATOM 1191 O TYR A 100 5.045 8.146 -10.147 1.00 2.19 O ATOM 1192 CB TYR A 100 6.864 11.106 -9.176 1.00 2.04 C ATOM 1193 CG TYR A 100 7.850 10.478 -8.217 1.00 1.95 C ATOM 1194 CD1 TYR A 100 7.689 10.587 -6.838 1.00 2.40 C ATOM 1195 CD2 TYR A 100 8.944 9.777 -8.695 1.00 2.11 C ATOM 1196 CE1 TYR A 100 8.593 10.010 -5.965 1.00 2.59 C ATOM 1197 CE2 TYR A 100 9.851 9.199 -7.834 1.00 2.30 C ATOM 1198 CZ TYR A 100 9.673 9.316 -6.470 1.00 2.40 C ATOM 1199 OH TYR A 100 10.577 8.737 -5.610 1.00 2.76 O ATOM 0 H TYR A 100 5.930 9.209 -7.598 1.00 1.47 H new ATOM 0 HA TYR A 100 4.789 11.015 -9.685 1.00 1.80 H new ATOM 0 HB2 TYR A 100 7.333 11.197 -10.155 1.00 2.04 H new ATOM 0 HB3 TYR A 100 6.636 12.116 -8.836 1.00 2.04 H new ATOM 0 HD1 TYR A 100 6.844 11.131 -6.444 1.00 2.40 H new ATOM 0 HD2 TYR A 100 9.089 9.682 -9.761 1.00 2.11 H new ATOM 0 HE1 TYR A 100 8.455 10.102 -4.898 1.00 2.59 H new ATOM 0 HE2 TYR A 100 10.699 8.656 -8.225 1.00 2.30 H new ATOM 0 HH TYR A 100 10.863 9.396 -4.944 1.00 2.76 H new ATOM 1209 N LEU A 101 6.413 9.351 -11.432 1.00 1.42 N ATOM 1210 CA LEU A 101 6.548 8.274 -12.419 1.00 1.38 C ATOM 1211 C LEU A 101 7.344 7.092 -11.839 1.00 1.16 C ATOM 1212 O LEU A 101 7.377 6.004 -12.415 1.00 1.18 O ATOM 1213 CB LEU A 101 7.231 8.795 -13.683 1.00 1.57 C ATOM 1214 CG LEU A 101 6.416 9.813 -14.486 1.00 1.80 C ATOM 1215 CD1 LEU A 101 7.230 10.347 -15.654 1.00 2.20 C ATOM 1216 CD2 LEU A 101 5.123 9.183 -14.977 1.00 2.28 C ATOM 0 H LEU A 101 6.933 10.201 -11.649 1.00 1.42 H new ATOM 0 HA LEU A 101 5.548 7.922 -12.674 1.00 1.38 H new ATOM 0 HB2 LEU A 101 8.180 9.252 -13.403 1.00 1.57 H new ATOM 0 HB3 LEU A 101 7.463 7.948 -14.328 1.00 1.57 H new ATOM 0 HG LEU A 101 6.167 10.650 -13.834 1.00 1.80 H new ATOM 0 HD11 LEU A 101 6.634 11.069 -16.213 1.00 2.20 H new ATOM 0 HD12 LEU A 101 8.130 10.833 -15.278 1.00 2.20 H new ATOM 0 HD13 LEU A 101 7.510 9.522 -16.310 1.00 2.20 H new ATOM 0 HD21 LEU A 101 4.554 9.918 -15.546 1.00 2.28 H new ATOM 0 HD22 LEU A 101 5.353 8.329 -15.614 1.00 2.28 H new ATOM 0 HD23 LEU A 101 4.534 8.850 -14.123 1.00 2.28 H new ATOM 1228 N TYR A 102 7.981 7.332 -10.697 1.00 1.11 N ATOM 1229 CA TYR A 102 8.790 6.343 -9.989 1.00 0.96 C ATOM 1230 C TYR A 102 10.229 6.382 -10.429 1.00 1.03 C ATOM 1231 O TYR A 102 10.554 6.188 -11.601 1.00 1.54 O ATOM 1232 CB TYR A 102 8.265 4.912 -10.093 1.00 0.93 C ATOM 1233 CG TYR A 102 6.771 4.787 -10.101 1.00 0.90 C ATOM 1234 CD1 TYR A 102 5.975 5.762 -9.531 1.00 0.95 C ATOM 1235 CD2 TYR A 102 6.167 3.706 -10.689 1.00 0.93 C ATOM 1236 CE1 TYR A 102 4.602 5.653 -9.548 1.00 1.05 C ATOM 1237 CE2 TYR A 102 4.797 3.580 -10.722 1.00 1.01 C ATOM 1238 CZ TYR A 102 4.012 4.558 -10.083 1.00 1.06 C ATOM 1239 OH TYR A 102 2.643 4.436 -10.151 1.00 1.25 O ATOM 0 H TYR A 102 7.949 8.237 -10.228 1.00 1.11 H new ATOM 0 HA TYR A 102 8.717 6.633 -8.941 1.00 0.96 H new ATOM 0 HB2 TYR A 102 8.658 4.462 -11.005 1.00 0.93 H new ATOM 0 HB3 TYR A 102 8.659 4.334 -9.257 1.00 0.93 H new ATOM 0 HD1 TYR A 102 6.436 6.621 -9.066 1.00 0.95 H new ATOM 0 HD2 TYR A 102 6.779 2.937 -11.136 1.00 0.93 H new ATOM 0 HE1 TYR A 102 3.994 6.443 -9.133 1.00 1.05 H new ATOM 0 HE2 TYR A 102 4.333 2.747 -11.229 1.00 1.01 H new ATOM 0 HH TYR A 102 2.339 4.661 -11.055 1.00 1.25 H new ATOM 1249 N HIS A 103 11.084 6.635 -9.450 1.00 0.77 N ATOM 1250 CA HIS A 103 12.528 6.718 -9.661 1.00 0.89 C ATOM 1251 C HIS A 103 13.193 7.463 -8.503 1.00 0.87 C ATOM 1252 O HIS A 103 14.089 8.280 -8.712 1.00 1.36 O ATOM 1253 CB HIS A 103 12.843 7.433 -10.984 1.00 1.19 C ATOM 1254 CG HIS A 103 13.465 6.545 -12.016 1.00 1.63 C ATOM 1255 ND1 HIS A 103 12.912 5.344 -12.412 1.00 2.23 N ATOM 1256 CD2 HIS A 103 14.602 6.688 -12.737 1.00 2.09 C ATOM 1257 CE1 HIS A 103 13.682 4.788 -13.330 1.00 2.54 C ATOM 1258 NE2 HIS A 103 14.713 5.583 -13.546 1.00 2.39 N ATOM 0 H HIS A 103 10.799 6.790 -8.483 1.00 0.77 H new ATOM 0 HA HIS A 103 12.922 5.703 -9.707 1.00 0.89 H new ATOM 0 HB2 HIS A 103 11.922 7.854 -11.387 1.00 1.19 H new ATOM 0 HB3 HIS A 103 13.514 8.268 -10.784 1.00 1.19 H new ATOM 0 HD1 HIS A 103 12.044 4.948 -12.052 1.00 2.23 H new ATOM 0 HD2 HIS A 103 15.293 7.516 -12.686 1.00 2.09 H new ATOM 0 HE1 HIS A 103 13.499 3.843 -13.820 1.00 2.54 H new ATOM 1267 N GLY A 104 12.745 7.185 -7.280 1.00 0.90 N ATOM 1268 CA GLY A 104 13.313 7.856 -6.126 1.00 0.97 C ATOM 1269 C GLY A 104 13.350 6.991 -4.880 1.00 0.93 C ATOM 1270 O GLY A 104 13.701 5.812 -4.940 1.00 1.07 O ATOM 0 H GLY A 104 12.006 6.514 -7.071 1.00 0.90 H new ATOM 0 HA2 GLY A 104 14.326 8.178 -6.365 1.00 0.97 H new ATOM 0 HA3 GLY A 104 12.734 8.755 -5.917 1.00 0.97 H new ATOM 1274 N ARG A 105 13.013 7.595 -3.744 1.00 0.88 N ATOM 1275 CA ARG A 105 13.031 6.899 -2.460 1.00 0.90 C ATOM 1276 C ARG A 105 11.690 6.239 -2.127 1.00 0.73 C ATOM 1277 O ARG A 105 11.649 5.146 -1.564 1.00 0.92 O ATOM 1278 CB ARG A 105 13.408 7.883 -1.349 1.00 1.06 C ATOM 1279 CG ARG A 105 12.408 9.016 -1.180 1.00 1.51 C ATOM 1280 CD ARG A 105 12.949 10.113 -0.278 1.00 1.92 C ATOM 1281 NE ARG A 105 11.999 11.211 -0.129 1.00 2.44 N ATOM 1282 CZ ARG A 105 12.340 12.435 0.262 1.00 3.16 C ATOM 1283 NH1 ARG A 105 13.606 12.713 0.546 1.00 3.59 N ATOM 1284 NH2 ARG A 105 11.417 13.381 0.371 1.00 3.76 N ATOM 0 H ARG A 105 12.722 8.571 -3.686 1.00 0.88 H new ATOM 0 HA ARG A 105 13.773 6.104 -2.534 1.00 0.90 H new ATOM 0 HB2 ARG A 105 13.494 7.341 -0.407 1.00 1.06 H new ATOM 0 HB3 ARG A 105 14.390 8.304 -1.565 1.00 1.06 H new ATOM 0 HG2 ARG A 105 12.164 9.435 -2.156 1.00 1.51 H new ATOM 0 HG3 ARG A 105 11.481 8.624 -0.761 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.179 9.696 0.703 1.00 1.92 H new ATOM 0 HD3 ARG A 105 13.883 10.494 -0.690 1.00 1.92 H new ATOM 0 HE ARG A 105 11.017 11.029 -0.337 1.00 2.44 H new ATOM 0 HH11 ARG A 105 14.318 11.987 0.464 1.00 3.59 H new ATOM 0 HH12 ARG A 105 13.867 13.652 0.846 1.00 3.59 H new ATOM 0 HH21 ARG A 105 10.443 13.170 0.155 1.00 3.76 H new ATOM 0 HH22 ARG A 105 11.681 14.319 0.671 1.00 3.76 H new ATOM 1298 N VAL A 106 10.597 6.921 -2.444 1.00 0.59 N ATOM 1299 CA VAL A 106 9.259 6.414 -2.142 1.00 0.62 C ATOM 1300 C VAL A 106 8.742 5.438 -3.208 1.00 0.67 C ATOM 1301 O VAL A 106 8.109 4.425 -2.907 1.00 0.70 O ATOM 1302 CB VAL A 106 8.259 7.591 -2.014 1.00 0.79 C ATOM 1303 CG1 VAL A 106 8.813 8.673 -1.108 1.00 1.42 C ATOM 1304 CG2 VAL A 106 7.935 8.188 -3.373 1.00 1.76 C ATOM 0 H VAL A 106 10.608 7.828 -2.911 1.00 0.59 H new ATOM 0 HA VAL A 106 9.336 5.872 -1.199 1.00 0.62 H new ATOM 0 HB VAL A 106 7.343 7.192 -1.578 1.00 0.79 H new ATOM 0 HG11 VAL A 106 8.094 9.489 -1.033 1.00 1.42 H new ATOM 0 HG12 VAL A 106 8.996 8.259 -0.117 1.00 1.42 H new ATOM 0 HG13 VAL A 106 9.748 9.051 -1.522 1.00 1.42 H new ATOM 0 HG21 VAL A 106 7.231 9.011 -3.250 1.00 1.76 H new ATOM 0 HG22 VAL A 106 8.850 8.559 -3.835 1.00 1.76 H new ATOM 0 HG23 VAL A 106 7.491 7.423 -4.010 1.00 1.76 H new ATOM 1314 N LYS A 107 8.977 5.780 -4.456 1.00 0.76 N ATOM 1315 CA LYS A 107 8.512 5.002 -5.569 1.00 0.89 C ATOM 1316 C LYS A 107 9.200 3.658 -5.712 1.00 0.75 C ATOM 1317 O LYS A 107 8.744 2.830 -6.487 1.00 0.76 O ATOM 1318 CB LYS A 107 8.657 5.841 -6.807 1.00 1.17 C ATOM 1319 CG LYS A 107 7.768 7.069 -6.760 1.00 1.89 C ATOM 1320 CD LYS A 107 6.310 6.658 -6.758 1.00 2.96 C ATOM 1321 CE LYS A 107 5.687 6.718 -5.371 1.00 3.87 C ATOM 1322 NZ LYS A 107 4.255 6.306 -5.384 1.00 4.87 N ATOM 0 H LYS A 107 9.501 6.614 -4.722 1.00 0.76 H new ATOM 0 HA LYS A 107 7.466 4.746 -5.398 1.00 0.89 H new ATOM 0 HB2 LYS A 107 9.697 6.149 -6.918 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.406 5.243 -7.683 1.00 1.17 H new ATOM 0 HG2 LYS A 107 7.990 7.654 -5.867 1.00 1.89 H new ATOM 0 HG3 LYS A 107 7.972 7.708 -7.619 1.00 1.89 H new ATOM 0 HD2 LYS A 107 5.752 7.309 -7.431 1.00 2.96 H new ATOM 0 HD3 LYS A 107 6.222 5.644 -7.148 1.00 2.96 H new ATOM 0 HE2 LYS A 107 6.245 6.070 -4.695 1.00 3.87 H new ATOM 0 HE3 LYS A 107 5.769 7.732 -4.980 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 3.726 6.867 -4.686 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 3.856 6.466 -6.331 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 4.182 5.297 -5.143 1.00 4.87 H new ATOM 1336 N ALA A 108 10.287 3.424 -4.981 1.00 0.77 N ATOM 1337 CA ALA A 108 10.990 2.141 -5.073 1.00 0.73 C ATOM 1338 C ALA A 108 10.006 0.974 -5.092 1.00 0.63 C ATOM 1339 O ALA A 108 10.057 0.128 -5.985 1.00 0.68 O ATOM 1340 CB ALA A 108 11.968 1.979 -3.936 1.00 0.85 C ATOM 0 H ALA A 108 10.697 4.092 -4.328 1.00 0.77 H new ATOM 0 HA ALA A 108 11.545 2.137 -6.011 1.00 0.73 H new ATOM 0 HB1 ALA A 108 12.476 1.019 -4.027 1.00 0.85 H new ATOM 0 HB2 ALA A 108 12.703 2.784 -3.971 1.00 0.85 H new ATOM 0 HB3 ALA A 108 11.433 2.017 -2.987 1.00 0.85 H new ATOM 1346 N LEU A 109 9.077 0.950 -4.135 1.00 0.70 N ATOM 1347 CA LEU A 109 8.071 -0.100 -4.121 1.00 0.80 C ATOM 1348 C LEU A 109 7.144 0.138 -5.298 1.00 0.66 C ATOM 1349 O LEU A 109 6.758 -0.795 -6.008 1.00 0.76 O ATOM 1350 CB LEU A 109 7.286 -0.129 -2.803 1.00 1.05 C ATOM 1351 CG LEU A 109 6.145 0.887 -2.675 1.00 1.76 C ATOM 1352 CD1 LEU A 109 5.156 0.446 -1.607 1.00 2.64 C ATOM 1353 CD2 LEU A 109 6.689 2.266 -2.352 1.00 2.27 C ATOM 0 H LEU A 109 9.004 1.630 -3.379 1.00 0.70 H new ATOM 0 HA LEU A 109 8.558 -1.072 -4.204 1.00 0.80 H new ATOM 0 HB2 LEU A 109 6.871 -1.129 -2.673 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.985 0.036 -1.983 1.00 1.05 H new ATOM 0 HG LEU A 109 5.625 0.937 -3.631 1.00 1.76 H new ATOM 0 HD11 LEU A 109 4.353 1.179 -1.530 1.00 2.64 H new ATOM 0 HD12 LEU A 109 4.738 -0.524 -1.877 1.00 2.64 H new ATOM 0 HD13 LEU A 109 5.668 0.366 -0.648 1.00 2.64 H new ATOM 0 HD21 LEU A 109 5.863 2.972 -2.265 1.00 2.27 H new ATOM 0 HD22 LEU A 109 7.236 2.230 -1.410 1.00 2.27 H new ATOM 0 HD23 LEU A 109 7.360 2.588 -3.148 1.00 2.27 H new ATOM 1365 N ALA A 110 6.830 1.418 -5.528 1.00 0.56 N ATOM 1366 CA ALA A 110 5.994 1.790 -6.660 1.00 0.60 C ATOM 1367 C ALA A 110 6.608 1.237 -7.947 1.00 0.59 C ATOM 1368 O ALA A 110 5.914 1.005 -8.932 1.00 0.70 O ATOM 1369 CB ALA A 110 5.818 3.305 -6.726 1.00 0.79 C ATOM 0 H ALA A 110 7.140 2.199 -4.951 1.00 0.56 H new ATOM 0 HA ALA A 110 5.001 1.357 -6.537 1.00 0.60 H new ATOM 0 HB1 ALA A 110 5.190 3.562 -7.579 1.00 0.79 H new ATOM 0 HB2 ALA A 110 5.346 3.657 -5.809 1.00 0.79 H new ATOM 0 HB3 ALA A 110 6.793 3.780 -6.837 1.00 0.79 H new ATOM 1375 N ASP A 111 7.923 1.008 -7.903 1.00 0.57 N ATOM 1376 CA ASP A 111 8.675 0.472 -9.020 1.00 0.59 C ATOM 1377 C ASP A 111 8.599 -1.051 -9.039 1.00 0.55 C ATOM 1378 O ASP A 111 8.667 -1.673 -10.096 1.00 0.56 O ATOM 1379 CB ASP A 111 10.136 0.918 -8.939 1.00 0.78 C ATOM 1380 CG ASP A 111 10.940 0.487 -10.151 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.445 -0.655 -10.154 1.00 0.94 O ATOM 1382 OD2 ASP A 111 11.063 1.293 -11.098 1.00 0.88 O ATOM 0 H ASP A 111 8.493 1.194 -7.078 1.00 0.57 H new ATOM 0 HA ASP A 111 8.236 0.855 -9.941 1.00 0.59 H new ATOM 0 HB2 ASP A 111 10.177 2.003 -8.846 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.590 0.504 -8.039 1.00 0.78 H new ATOM 1387 N ALA A 112 8.462 -1.649 -7.855 1.00 0.61 N ATOM 1388 CA ALA A 112 8.379 -3.099 -7.742 1.00 0.70 C ATOM 1389 C ALA A 112 7.222 -3.636 -8.578 1.00 0.67 C ATOM 1390 O ALA A 112 7.428 -4.406 -9.519 1.00 0.75 O ATOM 1391 CB ALA A 112 8.229 -3.510 -6.281 1.00 0.82 C ATOM 0 H ALA A 112 8.407 -1.151 -6.966 1.00 0.61 H new ATOM 0 HA ALA A 112 9.303 -3.531 -8.126 1.00 0.70 H new ATOM 0 HB1 ALA A 112 8.168 -4.596 -6.213 1.00 0.82 H new ATOM 0 HB2 ALA A 112 9.091 -3.159 -5.714 1.00 0.82 H new ATOM 0 HB3 ALA A 112 7.320 -3.069 -5.871 1.00 0.82 H new ATOM 1397 N ALA A 113 6.006 -3.207 -8.250 1.00 0.64 N ATOM 1398 CA ALA A 113 4.831 -3.638 -8.999 1.00 0.72 C ATOM 1399 C ALA A 113 4.779 -2.938 -10.346 1.00 0.67 C ATOM 1400 O ALA A 113 4.192 -3.454 -11.297 1.00 0.86 O ATOM 1401 CB ALA A 113 3.552 -3.384 -8.214 1.00 0.77 C ATOM 0 H ALA A 113 5.810 -2.568 -7.479 1.00 0.64 H new ATOM 0 HA ALA A 113 4.911 -4.712 -9.165 1.00 0.72 H new ATOM 0 HB1 ALA A 113 2.694 -3.716 -8.799 1.00 0.77 H new ATOM 0 HB2 ALA A 113 3.586 -3.936 -7.275 1.00 0.77 H new ATOM 0 HB3 ALA A 113 3.459 -2.318 -8.006 1.00 0.77 H new ATOM 1407 N ARG A 114 5.395 -1.758 -10.434 1.00 0.57 N ATOM 1408 CA ARG A 114 5.388 -1.029 -11.689 1.00 0.62 C ATOM 1409 C ARG A 114 6.262 -1.719 -12.723 1.00 0.65 C ATOM 1410 O ARG A 114 5.810 -1.998 -13.834 1.00 0.75 O ATOM 1411 CB ARG A 114 5.814 0.429 -11.508 1.00 0.69 C ATOM 1412 CG ARG A 114 5.988 1.184 -12.817 1.00 1.00 C ATOM 1413 CD ARG A 114 7.424 1.123 -13.314 1.00 1.56 C ATOM 1414 NE ARG A 114 7.581 1.780 -14.609 1.00 1.95 N ATOM 1415 CZ ARG A 114 8.761 2.066 -15.149 1.00 2.59 C ATOM 1416 NH1 ARG A 114 9.879 1.760 -14.505 1.00 3.23 N ATOM 1417 NH2 ARG A 114 8.824 2.661 -16.332 1.00 3.01 N ATOM 0 H ARG A 114 5.891 -1.301 -9.669 1.00 0.57 H new ATOM 0 HA ARG A 114 4.360 -1.025 -12.051 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.070 0.942 -10.899 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.753 0.458 -10.955 1.00 0.69 H new ATOM 0 HG2 ARG A 114 5.323 0.763 -13.571 1.00 1.00 H new ATOM 0 HG3 ARG A 114 5.694 2.225 -12.679 1.00 1.00 H new ATOM 0 HD2 ARG A 114 8.081 1.597 -12.585 1.00 1.56 H new ATOM 0 HD3 ARG A 114 7.736 0.082 -13.395 1.00 1.56 H new ATOM 0 HE ARG A 114 6.739 2.033 -15.127 1.00 1.95 H new ATOM 0 HH11 ARG A 114 9.834 1.304 -13.594 1.00 3.23 H new ATOM 0 HH12 ARG A 114 10.784 1.980 -14.921 1.00 3.23 H new ATOM 0 HH21 ARG A 114 7.966 2.900 -16.829 1.00 3.01 H new ATOM 0 HH22 ARG A 114 9.731 2.880 -16.745 1.00 3.01 H new ATOM 1431 N GLU A 115 7.503 -2.013 -12.354 1.00 0.63 N ATOM 1432 CA GLU A 115 8.416 -2.693 -13.263 1.00 0.71 C ATOM 1433 C GLU A 115 7.774 -3.979 -13.765 1.00 0.85 C ATOM 1434 O GLU A 115 7.895 -4.335 -14.936 1.00 1.02 O ATOM 1435 CB GLU A 115 9.740 -3.003 -12.566 1.00 0.67 C ATOM 1436 CG GLU A 115 10.808 -3.543 -13.503 1.00 1.21 C ATOM 1437 CD GLU A 115 11.055 -2.634 -14.691 1.00 1.83 C ATOM 1438 OE1 GLU A 115 11.864 -1.692 -14.561 1.00 1.97 O ATOM 1439 OE2 GLU A 115 10.439 -2.864 -15.753 1.00 2.59 O ATOM 0 H GLU A 115 7.897 -1.793 -11.439 1.00 0.63 H new ATOM 0 HA GLU A 115 8.621 -2.038 -14.110 1.00 0.71 H new ATOM 0 HB2 GLU A 115 10.111 -2.096 -12.089 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.562 -3.730 -11.773 1.00 0.67 H new ATOM 0 HG2 GLU A 115 11.738 -3.674 -12.951 1.00 1.21 H new ATOM 0 HG3 GLU A 115 10.508 -4.528 -13.860 1.00 1.21 H new ATOM 1446 N ALA A 116 7.068 -4.660 -12.866 1.00 0.84 N ATOM 1447 CA ALA A 116 6.380 -5.896 -13.211 1.00 1.03 C ATOM 1448 C ALA A 116 5.153 -5.617 -14.075 1.00 1.11 C ATOM 1449 O ALA A 116 4.629 -6.515 -14.737 1.00 1.28 O ATOM 1450 CB ALA A 116 5.977 -6.650 -11.949 1.00 1.08 C ATOM 0 H ALA A 116 6.959 -4.375 -11.893 1.00 0.84 H new ATOM 0 HA ALA A 116 7.067 -6.516 -13.787 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.464 -7.571 -12.224 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.868 -6.890 -11.368 1.00 1.08 H new ATOM 0 HB3 ALA A 116 5.311 -6.028 -11.351 1.00 1.08 H new ATOM 1456 N GLY A 117 4.693 -4.369 -14.055 1.00 1.01 N ATOM 1457 CA GLY A 117 3.527 -3.987 -14.825 1.00 1.09 C ATOM 1458 C GLY A 117 2.444 -3.428 -13.934 1.00 0.98 C ATOM 1459 O GLY A 117 1.501 -4.137 -13.600 1.00 1.07 O ATOM 0 H GLY A 117 5.112 -3.612 -13.514 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.808 -3.243 -15.571 1.00 1.09 H new ATOM 0 HA3 GLY A 117 3.146 -4.853 -15.366 1.00 1.09 H new ATOM 1463 N LEU A 118 2.594 -2.165 -13.527 1.00 0.99 N ATOM 1464 CA LEU A 118 1.629 -1.534 -12.621 1.00 1.08 C ATOM 1465 C LEU A 118 0.280 -1.271 -13.277 1.00 0.96 C ATOM 1466 O LEU A 118 0.146 -0.417 -14.152 1.00 1.25 O ATOM 1467 CB LEU A 118 2.171 -0.206 -12.053 1.00 1.61 C ATOM 1468 CG LEU A 118 1.121 0.746 -11.470 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.355 0.058 -10.352 1.00 2.65 C ATOM 1470 CD2 LEU A 118 1.774 2.028 -10.974 1.00 2.48 C ATOM 0 H LEU A 118 3.368 -1.563 -13.807 1.00 0.99 H new ATOM 0 HA LEU A 118 1.482 -2.250 -11.813 1.00 1.08 H new ATOM 0 HB2 LEU A 118 2.899 -0.435 -11.275 1.00 1.61 H new ATOM 0 HB3 LEU A 118 2.707 0.315 -12.846 1.00 1.61 H new ATOM 0 HG LEU A 118 0.416 1.013 -12.257 1.00 2.05 H new ATOM 0 HD11 LEU A 118 -0.388 0.743 -9.945 1.00 2.65 H new ATOM 0 HD12 LEU A 118 -0.145 -0.828 -10.745 1.00 2.65 H new ATOM 0 HD13 LEU A 118 1.048 -0.236 -9.563 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.011 2.690 -10.564 1.00 2.48 H new ATOM 0 HD22 LEU A 118 2.502 1.789 -10.199 1.00 2.48 H new ATOM 0 HD23 LEU A 118 2.277 2.524 -11.804 1.00 2.48 H new ATOM 1482 N GLU A 119 -0.725 -1.977 -12.780 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.090 -1.800 -13.233 1.00 0.78 C ATOM 1484 C GLU A 119 -3.017 -1.824 -12.023 1.00 0.72 C ATOM 1485 O GLU A 119 -3.207 -2.870 -11.411 1.00 0.66 O ATOM 1486 CB GLU A 119 -2.482 -2.900 -14.223 1.00 0.84 C ATOM 1487 CG GLU A 119 -1.764 -2.803 -15.558 1.00 1.48 C ATOM 1488 CD GLU A 119 -2.126 -1.545 -16.324 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -1.471 -0.506 -16.101 1.00 2.85 O ATOM 1490 OE2 GLU A 119 -3.064 -1.601 -17.148 1.00 2.56 O ATOM 0 H GLU A 119 -0.614 -2.685 -12.054 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.177 -0.843 -13.747 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.270 -3.871 -13.776 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -3.557 -2.856 -14.395 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -0.687 -2.825 -15.390 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -2.010 -3.676 -16.163 1.00 1.48 H new ATOM 1497 N PHE A 120 -3.594 -0.675 -11.681 1.00 0.85 N ATOM 1498 CA PHE A 120 -4.499 -0.586 -10.537 1.00 0.91 C ATOM 1499 C PHE A 120 -4.961 0.848 -10.307 1.00 1.15 C ATOM 1500 O PHE A 120 -4.388 1.762 -10.937 1.00 1.57 O ATOM 1501 CB PHE A 120 -3.845 -1.136 -9.271 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.703 -2.144 -8.554 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -5.144 -3.290 -9.197 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -5.051 -1.951 -7.232 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -5.919 -4.217 -8.535 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -5.827 -2.875 -6.561 1.00 1.97 C ATOM 1507 CZ PHE A 120 -6.262 -4.011 -7.217 1.00 1.95 C ATOM 1508 OXT PHE A 120 -5.892 1.047 -9.500 1.00 1.71 O ATOM 0 H PHE A 120 -3.452 0.205 -12.177 1.00 0.85 H new ATOM 0 HA PHE A 120 -5.372 -1.196 -10.768 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -2.893 -1.598 -9.532 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -3.623 -0.310 -8.595 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -4.877 -3.458 -10.230 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -4.712 -1.065 -6.716 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -6.257 -5.104 -9.049 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -6.093 -2.711 -5.527 1.00 1.97 H new ATOM 0 HZ PHE A 120 -6.870 -4.736 -6.697 1.00 1.95 H new