USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 643 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 93 CYS SG : rot -146:sc= 0.582 USER MOD Set 1.2: A 96 CYS SG : rot 42:sc= 1.84 USER MOD Set 1.3: A 117 CYS SG : rot -135:sc=-0.00103 USER MOD Set 1.4: A 120 CYS SG : rot 87:sc= -2.56! USER MOD Set 2.1: A 106 SER OG : rot 95:sc= 0.904 USER MOD Set 2.2: A 109 GLN : amide:sc= -4.81! C(o=-3.2!,f=-3.4!) USER MOD Set 2.3: A 118 GLN :FLIP amide:sc= 0.725 F(o=-8.7!,f=-3.2) USER MOD Set 3.1: A 58 GLN : amide:sc= -1.04 K(o=-0.51,f=-4) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -175:sc= 0.528 (180deg=0) USER MOD Set 4.1: A 55 SER OG : rot -119:sc= 0.843 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0.734 USER MOD Set 5.1: A 49 LYS NZ :NH3+ -157:sc= 0.139 (180deg=-0.36) USER MOD Set 5.2: A 53 SER OG : rot 180:sc= -0.608 USER MOD Set 6.1: A 42 CYS SG : rot 149:sc= 0.809 USER MOD Set 6.2: A 45 CYS SG : rot -47:sc= -3.29! USER MOD Set 6.3: A 80 CYS SG : rot -151:sc= 2.19! USER MOD Set 6.4: A 82 THR OG1 : rot -34:sc= -0.206 USER MOD Set 6.5: A 83 CYS SG : rot 92:sc= -1.73 USER MOD Single : A 41 MET CE :methyl 173:sc= 0 (180deg=-0.0212) USER MOD Single : A 43 MET CE :methyl -141:sc= -0.34 (180deg=-1.55!) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.178) USER MOD Single : A 54 TYR OH : rot 80:sc= -1.6 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -61:sc= 0.744! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -160:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-1.4!) USER MOD Single : A 98 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.9!) USER MOD Single : A 99 THR OG1 : rot -13:sc= 1.44 USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 0.38 (180deg=-1.3!) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.02 F(o=-1.1,f=-0.02) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 122 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 5.954 19.831 -11.026 1.00 0.00 N ATOM 88 CA ASP A 37 5.649 18.418 -11.226 1.00 0.00 C ATOM 89 C ASP A 37 5.967 17.998 -12.659 1.00 0.00 C ATOM 90 O ASP A 37 5.251 17.189 -13.251 1.00 0.00 O ATOM 91 CB ASP A 37 4.169 18.159 -10.932 1.00 0.00 C ATOM 92 CG ASP A 37 3.921 18.211 -9.430 1.00 0.00 C ATOM 93 OD1 ASP A 37 4.817 18.626 -8.714 1.00 0.00 O ATOM 94 OD2 ASP A 37 2.837 17.834 -9.016 1.00 0.00 O1- ATOM 0 HA ASP A 37 6.264 17.831 -10.544 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.553 18.904 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.877 17.185 -11.324 1.00 0.00 H new ATOM 99 N ALA A 38 7.046 18.548 -13.208 1.00 0.00 N ATOM 100 CA ALA A 38 7.452 18.225 -14.568 1.00 0.00 C ATOM 101 C ALA A 38 8.158 16.879 -14.606 1.00 0.00 C ATOM 102 O ALA A 38 8.330 16.236 -13.573 1.00 0.00 O ATOM 103 CB ALA A 38 8.383 19.304 -15.112 1.00 0.00 C ATOM 0 H ALA A 38 7.652 19.217 -12.732 1.00 0.00 H new ATOM 0 HA ALA A 38 6.558 18.176 -15.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.679 19.050 -16.130 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.866 20.264 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.270 19.371 -14.482 1.00 0.00 H new ATOM 109 N LEU A 39 8.568 16.457 -15.800 1.00 0.00 N ATOM 110 CA LEU A 39 9.268 15.181 -15.960 1.00 0.00 C ATOM 111 C LEU A 39 10.469 15.346 -16.880 1.00 0.00 C ATOM 112 O LEU A 39 10.317 15.514 -18.087 1.00 0.00 O ATOM 113 CB LEU A 39 8.324 14.133 -16.537 1.00 0.00 C ATOM 114 CG LEU A 39 7.222 13.812 -15.511 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.114 13.005 -16.193 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.804 13.007 -14.340 1.00 0.00 C ATOM 0 H LEU A 39 8.430 16.975 -16.668 1.00 0.00 H new ATOM 0 HA LEU A 39 9.614 14.853 -14.980 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.879 14.500 -17.462 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.878 13.228 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 39 6.811 14.745 -15.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.332 12.776 -15.469 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.691 13.587 -17.012 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.529 12.076 -16.585 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.014 12.787 -13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.225 12.074 -14.714 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.586 13.588 -13.852 1.00 0.00 H new ATOM 128 N ILE A 40 11.661 15.285 -16.300 1.00 0.00 N ATOM 129 CA ILE A 40 12.902 15.422 -17.071 1.00 0.00 C ATOM 130 C ILE A 40 13.573 14.075 -17.248 1.00 0.00 C ATOM 131 O ILE A 40 13.532 13.230 -16.357 1.00 0.00 O ATOM 132 CB ILE A 40 13.858 16.389 -16.369 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.184 17.765 -16.229 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.142 16.531 -17.190 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.787 18.322 -17.606 1.00 0.00 C ATOM 0 H ILE A 40 11.800 15.142 -15.300 1.00 0.00 H new ATOM 0 HA ILE A 40 12.650 15.819 -18.054 1.00 0.00 H new ATOM 0 HB ILE A 40 14.103 16.001 -15.380 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.299 17.679 -15.598 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.863 18.459 -15.733 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.821 17.220 -16.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.621 15.557 -17.288 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.900 16.917 -18.180 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.312 19.295 -17.482 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.677 18.429 -18.226 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.089 17.637 -18.088 1.00 0.00 H new ATOM 147 N MET A 41 14.181 13.876 -18.414 1.00 0.00 N ATOM 148 CA MET A 41 14.858 12.617 -18.711 1.00 0.00 C ATOM 149 C MET A 41 16.317 12.677 -18.274 1.00 0.00 C ATOM 150 O MET A 41 17.013 13.658 -18.532 1.00 0.00 O ATOM 151 CB MET A 41 14.785 12.331 -20.211 1.00 0.00 C ATOM 152 CG MET A 41 15.294 10.913 -20.480 1.00 0.00 C ATOM 153 SD MET A 41 15.125 10.540 -22.244 1.00 0.00 S ATOM 154 CE MET A 41 15.376 8.754 -22.115 1.00 0.00 C ATOM 0 H MET A 41 14.219 14.566 -19.165 1.00 0.00 H new ATOM 0 HA MET A 41 14.360 11.818 -18.162 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.759 12.434 -20.563 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.385 13.056 -20.761 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.337 10.825 -20.176 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.728 10.193 -19.889 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.190 8.290 -23.083 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.402 8.552 -21.807 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.688 8.342 -21.377 1.00 0.00 H new ATOM 164 N CYS A 42 16.773 11.620 -17.610 1.00 0.00 N ATOM 165 CA CYS A 42 18.153 11.560 -17.142 1.00 0.00 C ATOM 166 C CYS A 42 19.098 11.223 -18.295 1.00 0.00 C ATOM 167 O CYS A 42 18.814 10.361 -19.117 1.00 0.00 O ATOM 168 CB CYS A 42 18.284 10.504 -16.037 1.00 0.00 C ATOM 169 SG CYS A 42 19.932 10.607 -15.290 1.00 0.00 S ATOM 0 H CYS A 42 16.212 10.799 -17.385 1.00 0.00 H new ATOM 0 HA CYS A 42 18.426 12.537 -16.742 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.519 10.661 -15.277 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.123 9.508 -16.450 1.00 0.00 H new ATOM 0 HG CYS A 42 19.866 10.250 -14.042 1.00 0.00 H new ATOM 174 N MET A 43 20.219 11.920 -18.364 1.00 0.00 N ATOM 175 CA MET A 43 21.182 11.676 -19.434 1.00 0.00 C ATOM 176 C MET A 43 22.023 10.442 -19.126 1.00 0.00 C ATOM 177 O MET A 43 22.935 10.105 -19.880 1.00 0.00 O ATOM 178 CB MET A 43 22.098 12.896 -19.598 1.00 0.00 C ATOM 179 CG MET A 43 22.401 13.487 -18.218 1.00 0.00 C ATOM 180 SD MET A 43 23.765 14.667 -18.356 1.00 0.00 S ATOM 181 CE MET A 43 25.076 13.479 -18.748 1.00 0.00 C ATOM 0 H MET A 43 20.486 12.650 -17.704 1.00 0.00 H new ATOM 0 HA MET A 43 20.635 11.505 -20.361 1.00 0.00 H new ATOM 0 HB2 MET A 43 23.024 12.606 -20.094 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.618 13.644 -20.230 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.516 13.983 -17.820 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.662 12.692 -17.519 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.993 13.767 -18.234 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.774 12.484 -18.422 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.250 13.471 -19.824 1.00 0.00 H new ATOM 191 N ARG A 44 21.711 9.772 -18.018 1.00 0.00 N ATOM 192 CA ARG A 44 22.444 8.574 -17.616 1.00 0.00 C ATOM 193 C ARG A 44 21.535 7.359 -17.594 1.00 0.00 C ATOM 194 O ARG A 44 21.373 6.672 -18.603 1.00 0.00 O ATOM 195 CB ARG A 44 23.053 8.793 -16.226 1.00 0.00 C ATOM 196 CG ARG A 44 24.328 9.669 -16.338 1.00 0.00 C ATOM 197 CD ARG A 44 25.574 8.781 -16.276 1.00 0.00 C ATOM 198 NE ARG A 44 25.566 7.826 -17.382 1.00 0.00 N ATOM 199 CZ ARG A 44 26.362 6.764 -17.377 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.167 6.560 -16.371 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.337 5.924 -18.375 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.957 10.038 -17.384 1.00 0.00 H new ATOM 0 HA ARG A 44 23.236 8.391 -18.343 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.326 9.276 -15.573 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.300 7.833 -15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.315 10.228 -17.273 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.350 10.400 -15.530 1.00 0.00 H new ATOM 0 HD2 ARG A 44 26.472 9.397 -16.324 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.603 8.248 -15.326 1.00 0.00 H new ATOM 0 HE ARG A 44 24.938 7.978 -18.171 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.184 7.216 -15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.780 5.744 -16.365 1.00 0.00 H new ATOM 0 HH21 ARG A 44 25.705 6.083 -19.160 1.00 0.00 H new ATOM 0 HH22 ARG A 44 26.949 5.108 -18.370 1.00 0.00 H new ATOM 215 N CYS A 45 20.954 7.095 -16.436 1.00 0.00 N ATOM 216 CA CYS A 45 20.068 5.947 -16.283 1.00 0.00 C ATOM 217 C CYS A 45 18.837 6.092 -17.160 1.00 0.00 C ATOM 218 O CYS A 45 18.051 5.157 -17.304 1.00 0.00 O ATOM 219 CB CYS A 45 19.646 5.796 -14.822 1.00 0.00 C ATOM 220 SG CYS A 45 18.630 7.214 -14.341 1.00 0.00 S ATOM 0 H CYS A 45 21.077 7.654 -15.592 1.00 0.00 H new ATOM 0 HA CYS A 45 20.613 5.056 -16.594 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.086 4.871 -14.687 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.526 5.732 -14.182 1.00 0.00 H new ATOM 0 HG CYS A 45 19.205 8.312 -14.733 1.00 0.00 H new ATOM 225 N ARG A 46 18.674 7.270 -17.753 1.00 0.00 N ATOM 226 CA ARG A 46 17.531 7.521 -18.621 1.00 0.00 C ATOM 227 C ARG A 46 16.222 7.264 -17.898 1.00 0.00 C ATOM 228 O ARG A 46 15.259 6.785 -18.492 1.00 0.00 O ATOM 229 CB ARG A 46 17.619 6.642 -19.869 1.00 0.00 C ATOM 230 CG ARG A 46 18.770 7.125 -20.757 1.00 0.00 C ATOM 231 CD ARG A 46 18.887 6.216 -21.979 1.00 0.00 C ATOM 232 NE ARG A 46 19.360 4.894 -21.580 1.00 0.00 N ATOM 233 CZ ARG A 46 19.498 3.913 -22.469 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.204 4.123 -23.721 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.925 2.741 -22.086 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.313 8.059 -17.650 1.00 0.00 H new ATOM 0 HA ARG A 46 17.555 8.571 -18.914 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.778 5.602 -19.583 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.680 6.681 -20.421 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.594 8.154 -21.071 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.704 7.119 -20.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.919 6.130 -22.472 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.575 6.654 -22.702 1.00 0.00 H new ATOM 0 HE ARG A 46 19.589 4.719 -20.602 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.868 5.039 -24.019 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.310 3.372 -24.403 1.00 0.00 H new ATOM 0 HH21 ARG A 46 20.153 2.577 -21.105 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.031 1.989 -22.767 1.00 0.00 H new ATOM 249 N LYS A 47 16.187 7.593 -16.608 1.00 0.00 N ATOM 250 CA LYS A 47 14.979 7.397 -15.808 1.00 0.00 C ATOM 251 C LYS A 47 14.162 8.676 -15.768 1.00 0.00 C ATOM 252 O LYS A 47 14.615 9.696 -15.250 1.00 0.00 O ATOM 253 CB LYS A 47 15.367 6.985 -14.386 1.00 0.00 C ATOM 254 CG LYS A 47 16.084 5.623 -14.410 1.00 0.00 C ATOM 255 CD LYS A 47 15.057 4.485 -14.476 1.00 0.00 C ATOM 256 CE LYS A 47 15.771 3.146 -14.351 1.00 0.00 C ATOM 257 NZ LYS A 47 16.586 2.903 -15.574 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.974 7.993 -16.097 1.00 0.00 H new ATOM 0 HA LYS A 47 14.377 6.610 -16.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.017 7.740 -13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.477 6.926 -13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.752 5.570 -15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.702 5.514 -13.519 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.325 4.595 -13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.509 4.530 -15.417 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.410 3.144 -13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.044 2.345 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.909 1.914 -15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.008 3.088 -16.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.411 3.536 -15.573 1.00 0.00 H new ATOM 271 N VAL A 48 12.953 8.615 -16.319 1.00 0.00 N ATOM 272 CA VAL A 48 12.075 9.778 -16.347 1.00 0.00 C ATOM 273 C VAL A 48 11.318 9.908 -15.031 1.00 0.00 C ATOM 274 O VAL A 48 10.754 8.933 -14.529 1.00 0.00 O ATOM 275 CB VAL A 48 11.084 9.653 -17.502 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.206 10.901 -17.555 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.852 9.514 -18.819 1.00 0.00 C ATOM 0 H VAL A 48 12.562 7.777 -16.750 1.00 0.00 H new ATOM 0 HA VAL A 48 12.685 10.670 -16.489 1.00 0.00 H new ATOM 0 HB VAL A 48 10.458 8.774 -17.351 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.498 10.813 -18.379 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.660 11.002 -16.617 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.832 11.780 -17.707 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.146 9.425 -19.644 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.477 10.394 -18.970 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.481 8.624 -18.781 1.00 0.00 H new ATOM 287 N LYS A 49 11.319 11.117 -14.473 1.00 0.00 N ATOM 288 CA LYS A 49 10.638 11.356 -13.212 1.00 0.00 C ATOM 289 C LYS A 49 10.550 12.850 -12.931 1.00 0.00 C ATOM 290 O LYS A 49 11.064 13.660 -13.690 1.00 0.00 O ATOM 291 CB LYS A 49 11.376 10.648 -12.068 1.00 0.00 C ATOM 292 CG LYS A 49 10.360 10.051 -11.067 1.00 0.00 C ATOM 293 CD LYS A 49 9.883 8.687 -11.580 1.00 0.00 C ATOM 294 CE LYS A 49 8.894 8.091 -10.585 1.00 0.00 C ATOM 295 NZ LYS A 49 9.609 7.750 -9.324 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.779 11.935 -14.872 1.00 0.00 H new ATOM 0 HA LYS A 49 9.627 10.954 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.010 9.857 -12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.031 11.353 -11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.821 9.942 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.511 10.724 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.412 8.798 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.733 8.017 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.093 8.801 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.430 7.199 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.077 7.019 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.559 7.393 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.691 8.600 -8.730 1.00 0.00 H new ATOM 309 N GLY A 50 9.911 13.201 -11.816 1.00 0.00 N ATOM 310 CA GLY A 50 9.770 14.606 -11.428 1.00 0.00 C ATOM 311 C GLY A 50 10.697 14.957 -10.273 1.00 0.00 C ATOM 312 O GLY A 50 11.606 14.194 -9.936 1.00 0.00 O ATOM 0 H GLY A 50 9.485 12.538 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.992 15.245 -12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.737 14.804 -11.141 1.00 0.00 H new ATOM 316 N ILE A 51 10.464 16.122 -9.671 1.00 0.00 N ATOM 317 CA ILE A 51 11.289 16.561 -8.549 1.00 0.00 C ATOM 318 C ILE A 51 11.321 15.503 -7.443 1.00 0.00 C ATOM 319 O ILE A 51 12.004 15.664 -6.434 1.00 0.00 O ATOM 320 CB ILE A 51 10.736 17.877 -7.989 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.724 18.457 -6.967 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.389 17.617 -7.304 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.362 19.905 -6.678 1.00 0.00 C ATOM 0 H ILE A 51 9.722 16.770 -9.937 1.00 0.00 H new ATOM 0 HA ILE A 51 12.307 16.711 -8.908 1.00 0.00 H new ATOM 0 HB ILE A 51 10.599 18.587 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.696 17.873 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.741 18.395 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.997 18.553 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.685 17.207 -8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.526 16.906 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.063 20.317 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.412 20.484 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.351 19.954 -6.274 1.00 0.00 H new ATOM 335 N ASP A 52 10.588 14.414 -7.636 1.00 0.00 N ATOM 336 CA ASP A 52 10.545 13.351 -6.646 1.00 0.00 C ATOM 337 C ASP A 52 11.858 12.571 -6.638 1.00 0.00 C ATOM 338 O ASP A 52 12.519 12.454 -5.607 1.00 0.00 O ATOM 339 CB ASP A 52 9.391 12.400 -6.970 1.00 0.00 C ATOM 340 CG ASP A 52 9.538 11.850 -8.386 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.012 12.580 -9.240 1.00 0.00 O ATOM 342 OD2 ASP A 52 9.173 10.704 -8.596 1.00 0.00 O1- ATOM 0 H ASP A 52 10.019 14.246 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 52 10.395 13.795 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.376 11.579 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.441 12.925 -6.873 1.00 0.00 H new ATOM 347 N SER A 53 12.228 12.050 -7.803 1.00 0.00 N ATOM 348 CA SER A 53 13.476 11.282 -7.926 1.00 0.00 C ATOM 349 C SER A 53 14.600 12.172 -8.425 1.00 0.00 C ATOM 350 O SER A 53 15.708 11.698 -8.678 1.00 0.00 O ATOM 351 CB SER A 53 13.297 10.106 -8.868 1.00 0.00 C ATOM 352 OG SER A 53 12.242 9.281 -8.397 1.00 0.00 O ATOM 0 H SER A 53 11.695 12.140 -8.668 1.00 0.00 H new ATOM 0 HA SER A 53 13.734 10.901 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.074 10.462 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.222 9.532 -8.931 1.00 0.00 H new ATOM 0 HG SER A 53 12.124 8.522 -9.005 1.00 0.00 H new ATOM 358 N TYR A 54 14.312 13.465 -8.567 1.00 0.00 N ATOM 359 CA TYR A 54 15.314 14.420 -9.041 1.00 0.00 C ATOM 360 C TYR A 54 15.616 15.462 -7.970 1.00 0.00 C ATOM 361 O TYR A 54 14.727 16.192 -7.533 1.00 0.00 O ATOM 362 CB TYR A 54 14.790 15.117 -10.321 1.00 0.00 C ATOM 363 CG TYR A 54 15.781 14.941 -11.448 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.753 13.774 -12.221 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.731 15.932 -11.708 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.679 13.600 -13.253 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.655 15.758 -12.736 1.00 0.00 C ATOM 368 CZ TYR A 54 17.633 14.592 -13.510 1.00 0.00 C ATOM 369 OH TYR A 54 18.547 14.422 -14.530 1.00 0.00 O ATOM 0 H TYR A 54 13.400 13.874 -8.362 1.00 0.00 H new ATOM 0 HA TYR A 54 16.236 13.883 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.825 14.696 -10.605 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.631 16.178 -10.128 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.017 13.010 -12.020 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.749 16.833 -11.112 1.00 0.00 H new ATOM 0 HE1 TYR A 54 16.659 12.701 -13.852 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.390 16.524 -12.936 1.00 0.00 H new ATOM 0 HH TYR A 54 18.125 14.640 -15.387 1.00 0.00 H new ATOM 379 N SER A 55 16.884 15.539 -7.567 1.00 0.00 N ATOM 380 CA SER A 55 17.297 16.509 -6.566 1.00 0.00 C ATOM 381 C SER A 55 16.613 17.855 -6.806 1.00 0.00 C ATOM 382 O SER A 55 16.410 18.268 -7.949 1.00 0.00 O ATOM 383 CB SER A 55 18.813 16.693 -6.623 1.00 0.00 C ATOM 384 OG SER A 55 19.183 17.769 -5.771 1.00 0.00 O ATOM 0 H SER A 55 17.634 14.944 -7.918 1.00 0.00 H new ATOM 0 HA SER A 55 17.007 16.138 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.315 15.777 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.129 16.898 -7.646 1.00 0.00 H new ATOM 0 HG SER A 55 19.610 18.474 -6.301 1.00 0.00 H new ATOM 390 N LYS A 56 16.247 18.525 -5.721 1.00 0.00 N ATOM 391 CA LYS A 56 15.574 19.812 -5.823 1.00 0.00 C ATOM 392 C LYS A 56 16.473 20.838 -6.503 1.00 0.00 C ATOM 393 O LYS A 56 16.016 21.627 -7.329 1.00 0.00 O ATOM 394 CB LYS A 56 15.198 20.313 -4.430 1.00 0.00 C ATOM 395 CG LYS A 56 14.195 19.349 -3.791 1.00 0.00 C ATOM 396 CD LYS A 56 13.634 19.965 -2.504 1.00 0.00 C ATOM 397 CE LYS A 56 14.731 20.041 -1.439 1.00 0.00 C ATOM 398 NZ LYS A 56 14.118 20.306 -0.111 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.404 18.201 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 56 14.673 19.681 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.090 20.391 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.767 21.312 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.384 19.138 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.680 18.398 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.244 20.962 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.801 19.366 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.292 19.107 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.440 20.831 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.864 20.357 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.602 21.208 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.458 19.538 0.126 1.00 0.00 H new ATOM 412 N THR A 57 17.754 20.826 -6.145 1.00 0.00 N ATOM 413 CA THR A 57 18.706 21.764 -6.726 1.00 0.00 C ATOM 414 C THR A 57 18.790 21.582 -8.238 1.00 0.00 C ATOM 415 O THR A 57 18.835 22.556 -8.989 1.00 0.00 O ATOM 416 CB THR A 57 20.091 21.548 -6.110 1.00 0.00 C ATOM 417 OG1 THR A 57 20.442 20.175 -6.209 1.00 0.00 O ATOM 418 CG2 THR A 57 20.069 21.968 -4.641 1.00 0.00 C ATOM 0 H THR A 57 18.153 20.183 -5.461 1.00 0.00 H new ATOM 0 HA THR A 57 18.363 22.776 -6.513 1.00 0.00 H new ATOM 0 HB THR A 57 20.826 22.150 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.329 20.035 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.055 21.814 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.800 23.022 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.335 21.368 -4.102 1.00 0.00 H new ATOM 426 N GLN A 58 18.809 20.330 -8.678 1.00 0.00 N ATOM 427 CA GLN A 58 18.886 20.033 -10.102 1.00 0.00 C ATOM 428 C GLN A 58 17.637 20.527 -10.820 1.00 0.00 C ATOM 429 O GLN A 58 17.705 20.991 -11.953 1.00 0.00 O ATOM 430 CB GLN A 58 19.041 18.525 -10.314 1.00 0.00 C ATOM 431 CG GLN A 58 20.414 18.073 -9.812 1.00 0.00 C ATOM 432 CD GLN A 58 21.509 18.634 -10.710 1.00 0.00 C ATOM 433 OE1 GLN A 58 22.012 19.731 -10.468 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.912 17.943 -11.742 1.00 0.00 N ATOM 0 H GLN A 58 18.772 19.509 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 58 19.754 20.547 -10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.254 17.990 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.932 18.283 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.565 18.411 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.465 16.984 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 58 21.495 17.034 -11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 58 22.644 18.312 -12.348 1.00 0.00 H new ATOM 443 N TRP A 59 16.495 20.403 -10.166 1.00 0.00 N ATOM 444 CA TRP A 59 15.238 20.827 -10.763 1.00 0.00 C ATOM 445 C TRP A 59 15.271 22.321 -11.096 1.00 0.00 C ATOM 446 O TRP A 59 14.780 22.748 -12.139 1.00 0.00 O ATOM 447 CB TRP A 59 14.071 20.542 -9.786 1.00 0.00 C ATOM 448 CG TRP A 59 12.882 20.049 -10.544 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.652 20.607 -10.528 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.801 18.895 -11.427 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.820 19.867 -11.352 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.483 18.802 -11.920 1.00 0.00 C ATOM 453 CE3 TRP A 59 13.734 17.928 -11.841 1.00 0.00 C ATOM 454 CZ2 TRP A 59 11.102 17.791 -12.791 1.00 0.00 C ATOM 455 CZ3 TRP A 59 13.353 16.903 -12.720 1.00 0.00 C ATOM 456 CH2 TRP A 59 12.038 16.835 -13.190 1.00 0.00 C ATOM 0 H TRP A 59 16.411 20.015 -9.227 1.00 0.00 H new ATOM 0 HA TRP A 59 15.090 20.266 -11.686 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.376 19.800 -9.048 1.00 0.00 H new ATOM 0 HB3 TRP A 59 13.814 21.449 -9.239 1.00 0.00 H new ATOM 0 HD1 TRP A 59 11.365 21.484 -9.966 1.00 0.00 H new ATOM 0 HE1 TRP A 59 9.837 20.084 -11.518 1.00 0.00 H new ATOM 0 HE3 TRP A 59 14.751 17.975 -11.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.087 17.744 -13.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 14.077 16.165 -13.034 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.746 16.042 -13.863 1.00 0.00 H new ATOM 467 N SER A 60 15.846 23.106 -10.194 1.00 0.00 N ATOM 468 CA SER A 60 15.928 24.546 -10.397 1.00 0.00 C ATOM 469 C SER A 60 16.770 24.873 -11.625 1.00 0.00 C ATOM 470 O SER A 60 16.629 25.941 -12.222 1.00 0.00 O ATOM 471 CB SER A 60 16.548 25.212 -9.167 1.00 0.00 C ATOM 472 OG SER A 60 15.873 24.764 -7.999 1.00 0.00 O ATOM 0 H SER A 60 16.259 22.774 -9.323 1.00 0.00 H new ATOM 0 HA SER A 60 14.918 24.926 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.609 24.969 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.474 26.296 -9.250 1.00 0.00 H new ATOM 0 HG SER A 60 16.269 25.188 -7.209 1.00 0.00 H new ATOM 478 N LYS A 61 17.647 23.949 -11.997 1.00 0.00 N ATOM 479 CA LYS A 61 18.513 24.151 -13.157 1.00 0.00 C ATOM 480 C LYS A 61 17.762 23.869 -14.453 1.00 0.00 C ATOM 481 O LYS A 61 18.110 24.389 -15.511 1.00 0.00 O ATOM 482 CB LYS A 61 19.728 23.228 -13.066 1.00 0.00 C ATOM 483 CG LYS A 61 20.578 23.616 -11.857 1.00 0.00 C ATOM 484 CD LYS A 61 21.786 22.684 -11.765 1.00 0.00 C ATOM 485 CE LYS A 61 22.617 23.055 -10.540 1.00 0.00 C ATOM 486 NZ LYS A 61 23.779 22.126 -10.423 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.779 23.058 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 61 18.839 25.191 -13.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.404 22.191 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.321 23.300 -13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.909 24.650 -11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.984 23.551 -10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.456 21.648 -11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.392 22.765 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.968 24.084 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.003 23.000 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.296 22.326 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.438 21.144 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.414 22.260 -11.235 1.00 0.00 H new ATOM 500 N THR A 62 16.727 23.042 -14.360 1.00 0.00 N ATOM 501 CA THR A 62 15.931 22.692 -15.533 1.00 0.00 C ATOM 502 C THR A 62 15.150 23.896 -16.043 1.00 0.00 C ATOM 503 O THR A 62 14.586 23.862 -17.131 1.00 0.00 O ATOM 504 CB THR A 62 14.954 21.561 -15.191 1.00 0.00 C ATOM 505 OG1 THR A 62 14.017 22.023 -14.229 1.00 0.00 O ATOM 506 CG2 THR A 62 15.728 20.369 -14.628 1.00 0.00 C ATOM 0 H THR A 62 16.420 22.603 -13.492 1.00 0.00 H new ATOM 0 HA THR A 62 16.615 22.361 -16.315 1.00 0.00 H new ATOM 0 HB THR A 62 14.424 21.251 -16.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.490 22.288 -13.413 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.033 19.566 -14.385 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.444 20.017 -15.370 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.260 20.673 -13.727 1.00 0.00 H new ATOM 514 N PHE A 63 15.113 24.957 -15.244 1.00 0.00 N ATOM 515 CA PHE A 63 14.398 26.175 -15.606 1.00 0.00 C ATOM 516 C PHE A 63 15.378 27.281 -15.971 1.00 0.00 C ATOM 517 O PHE A 63 16.592 27.082 -15.940 1.00 0.00 O ATOM 518 CB PHE A 63 13.523 26.637 -14.439 1.00 0.00 C ATOM 519 CG PHE A 63 12.511 25.565 -14.115 1.00 0.00 C ATOM 520 CD1 PHE A 63 11.350 25.449 -14.881 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.738 24.692 -13.048 1.00 0.00 C ATOM 522 CE1 PHE A 63 10.409 24.453 -14.577 1.00 0.00 C ATOM 523 CE2 PHE A 63 11.801 23.696 -12.743 1.00 0.00 C ATOM 524 CZ PHE A 63 10.637 23.576 -13.507 1.00 0.00 C ATOM 0 H PHE A 63 15.574 24.997 -14.335 1.00 0.00 H new ATOM 0 HA PHE A 63 13.769 25.959 -16.469 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.142 26.844 -13.566 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.015 27.566 -14.697 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.176 26.124 -15.706 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.637 24.785 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.509 24.362 -15.167 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.978 23.022 -11.918 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.914 22.809 -13.274 1.00 0.00 H new ATOM 534 N THR A 64 14.840 28.442 -16.320 1.00 0.00 N ATOM 535 CA THR A 64 15.675 29.579 -16.697 1.00 0.00 C ATOM 536 C THR A 64 14.933 30.880 -16.453 1.00 0.00 C ATOM 537 O THR A 64 13.706 30.915 -16.449 1.00 0.00 O ATOM 538 CB THR A 64 16.067 29.466 -18.191 1.00 0.00 C ATOM 539 OG1 THR A 64 15.207 28.532 -18.830 1.00 0.00 O ATOM 540 CG2 THR A 64 17.516 28.993 -18.325 1.00 0.00 C ATOM 0 H THR A 64 13.837 28.623 -16.351 1.00 0.00 H new ATOM 0 HA THR A 64 16.578 29.573 -16.087 1.00 0.00 H new ATOM 0 HB THR A 64 15.970 30.445 -18.660 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.450 28.458 -19.777 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.778 28.918 -19.380 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.179 29.707 -17.836 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.625 28.016 -17.854 1.00 0.00 H new ATOM 548 N PHE A 65 15.693 31.951 -16.262 1.00 0.00 N ATOM 549 CA PHE A 65 15.113 33.276 -16.035 1.00 0.00 C ATOM 550 C PHE A 65 15.470 34.218 -17.175 1.00 0.00 C ATOM 551 O PHE A 65 16.635 34.351 -17.544 1.00 0.00 O ATOM 552 CB PHE A 65 15.626 33.846 -14.693 1.00 0.00 C ATOM 553 CG PHE A 65 14.456 34.296 -13.846 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.459 33.377 -13.497 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.360 35.626 -13.425 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.368 33.788 -12.727 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.273 36.036 -12.652 1.00 0.00 C ATOM 558 CZ PHE A 65 12.278 35.119 -12.303 1.00 0.00 C ATOM 0 H PHE A 65 16.713 31.932 -16.259 1.00 0.00 H new ATOM 0 HA PHE A 65 14.028 33.182 -15.994 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.201 33.088 -14.162 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.298 34.685 -14.877 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.533 32.350 -13.823 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.127 36.336 -13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.597 33.081 -12.460 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.201 37.062 -12.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.437 35.438 -11.705 1.00 0.00 H new ATOM 568 N VAL A 66 14.456 34.882 -17.721 1.00 0.00 N ATOM 569 CA VAL A 66 14.665 35.828 -18.814 1.00 0.00 C ATOM 570 C VAL A 66 13.886 37.115 -18.575 1.00 0.00 C ATOM 571 O VAL A 66 12.704 37.082 -18.251 1.00 0.00 O ATOM 572 CB VAL A 66 14.229 35.189 -20.132 1.00 0.00 C ATOM 573 CG1 VAL A 66 12.700 35.119 -20.191 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.745 36.034 -21.298 1.00 0.00 C ATOM 0 H VAL A 66 13.484 34.784 -17.427 1.00 0.00 H new ATOM 0 HA VAL A 66 15.725 36.077 -18.862 1.00 0.00 H new ATOM 0 HB VAL A 66 14.638 34.181 -20.199 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.393 34.663 -21.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.331 34.519 -19.359 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.287 36.125 -20.124 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.436 35.581 -22.240 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.334 37.041 -21.227 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.833 36.083 -21.259 1.00 0.00 H new ATOM 584 N ARG A 67 14.548 38.248 -18.756 1.00 0.00 N ATOM 585 CA ARG A 67 13.893 39.537 -18.566 1.00 0.00 C ATOM 586 C ARG A 67 13.030 39.532 -17.309 1.00 0.00 C ATOM 587 O ARG A 67 12.027 40.244 -17.231 1.00 0.00 O ATOM 588 CB ARG A 67 13.027 39.865 -19.786 1.00 0.00 C ATOM 589 CG ARG A 67 13.926 40.165 -20.987 1.00 0.00 C ATOM 590 CD ARG A 67 13.063 40.446 -22.217 1.00 0.00 C ATOM 591 NE ARG A 67 12.412 39.223 -22.669 1.00 0.00 N ATOM 592 CZ ARG A 67 11.611 39.223 -23.731 1.00 0.00 C ATOM 593 NH1 ARG A 67 11.397 40.330 -24.387 1.00 0.00 N ATOM 594 NH2 ARG A 67 11.042 38.113 -24.119 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.529 38.304 -19.031 1.00 0.00 H new ATOM 0 HA ARG A 67 14.665 40.298 -18.450 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.368 39.027 -20.013 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.390 40.723 -19.572 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.562 41.024 -20.772 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.587 39.320 -21.179 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.312 41.199 -21.978 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.680 40.854 -23.017 1.00 0.00 H new ATOM 0 HE ARG A 67 12.573 38.352 -22.163 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.844 41.196 -24.086 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.783 40.330 -25.201 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.212 37.247 -23.608 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.428 38.112 -24.933 1.00 0.00 H new ATOM 608 N GLY A 68 13.426 38.729 -16.327 1.00 0.00 N ATOM 609 CA GLY A 68 12.682 38.646 -15.079 1.00 0.00 C ATOM 610 C GLY A 68 11.443 37.781 -15.232 1.00 0.00 C ATOM 611 O GLY A 68 10.460 37.964 -14.518 1.00 0.00 O ATOM 0 H GLY A 68 14.251 38.131 -16.372 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.322 38.234 -14.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.392 39.647 -14.759 1.00 0.00 H new ATOM 615 N ARG A 69 11.492 36.837 -16.168 1.00 0.00 N ATOM 616 CA ARG A 69 10.361 35.937 -16.418 1.00 0.00 C ATOM 617 C ARG A 69 10.805 34.486 -16.303 1.00 0.00 C ATOM 618 O ARG A 69 11.896 34.120 -16.741 1.00 0.00 O ATOM 619 CB ARG A 69 9.786 36.197 -17.811 1.00 0.00 C ATOM 620 CG ARG A 69 9.109 37.568 -17.837 1.00 0.00 C ATOM 621 CD ARG A 69 8.556 37.838 -19.236 1.00 0.00 C ATOM 622 NE ARG A 69 7.893 39.135 -19.276 1.00 0.00 N ATOM 623 CZ ARG A 69 7.505 39.673 -20.428 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.715 39.038 -21.549 1.00 0.00 N ATOM 625 NH2 ARG A 69 6.912 40.835 -20.439 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.301 36.672 -16.768 1.00 0.00 H new ATOM 0 HA ARG A 69 9.590 36.128 -15.672 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.580 36.158 -18.557 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.067 35.420 -18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.303 37.601 -17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.824 38.343 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.366 37.813 -19.965 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.852 37.053 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 69 7.724 39.639 -18.405 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.177 38.129 -21.541 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.417 39.451 -22.433 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.746 41.331 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.614 41.247 -21.323 1.00 0.00 H new ATOM 639 N THR A 70 9.951 33.663 -15.706 1.00 0.00 N ATOM 640 CA THR A 70 10.263 32.252 -15.533 1.00 0.00 C ATOM 641 C THR A 70 10.061 31.497 -16.839 1.00 0.00 C ATOM 642 O THR A 70 8.989 31.557 -17.442 1.00 0.00 O ATOM 643 CB THR A 70 9.362 31.647 -14.452 1.00 0.00 C ATOM 644 OG1 THR A 70 9.416 32.455 -13.285 1.00 0.00 O ATOM 645 CG2 THR A 70 9.839 30.231 -14.117 1.00 0.00 C ATOM 0 H THR A 70 9.044 33.947 -15.336 1.00 0.00 H new ATOM 0 HA THR A 70 11.306 32.164 -15.230 1.00 0.00 H new ATOM 0 HB THR A 70 8.336 31.604 -14.818 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.839 32.070 -12.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.196 29.803 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.795 29.611 -15.012 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.865 30.270 -13.752 1.00 0.00 H new ATOM 653 N VAL A 71 11.094 30.777 -17.270 1.00 0.00 N ATOM 654 CA VAL A 71 11.020 29.999 -18.507 1.00 0.00 C ATOM 655 C VAL A 71 11.675 28.638 -18.318 1.00 0.00 C ATOM 656 O VAL A 71 12.584 28.488 -17.506 1.00 0.00 O ATOM 657 CB VAL A 71 11.714 30.758 -19.639 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.935 32.039 -19.951 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.138 31.131 -19.213 1.00 0.00 C ATOM 0 H VAL A 71 11.989 30.715 -16.785 1.00 0.00 H new ATOM 0 HA VAL A 71 9.972 29.849 -18.764 1.00 0.00 H new ATOM 0 HB VAL A 71 11.750 30.123 -20.524 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.431 32.579 -20.758 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.920 31.783 -20.256 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.899 32.668 -19.062 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.630 31.672 -20.022 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.099 31.763 -18.326 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.700 30.224 -18.988 1.00 0.00 H new ATOM 669 N SER A 72 11.214 27.653 -19.082 1.00 0.00 N ATOM 670 CA SER A 72 11.769 26.305 -18.998 1.00 0.00 C ATOM 671 C SER A 72 12.968 26.162 -19.930 1.00 0.00 C ATOM 672 O SER A 72 13.010 26.770 -21.001 1.00 0.00 O ATOM 673 CB SER A 72 10.697 25.280 -19.374 1.00 0.00 C ATOM 674 OG SER A 72 9.790 25.137 -18.287 1.00 0.00 O ATOM 0 H SER A 72 10.462 27.761 -19.763 1.00 0.00 H new ATOM 0 HA SER A 72 12.099 26.126 -17.975 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.164 25.603 -20.268 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.159 24.321 -19.607 1.00 0.00 H new ATOM 0 HG SER A 72 9.099 24.483 -18.521 1.00 0.00 H new ATOM 680 N VAL A 73 13.935 25.346 -19.520 1.00 0.00 N ATOM 681 CA VAL A 73 15.124 25.122 -20.329 1.00 0.00 C ATOM 682 C VAL A 73 14.761 24.378 -21.614 1.00 0.00 C ATOM 683 O VAL A 73 13.978 23.427 -21.593 1.00 0.00 O ATOM 684 CB VAL A 73 16.153 24.314 -19.539 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.319 23.930 -20.448 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.676 25.162 -18.378 1.00 0.00 C ATOM 0 H VAL A 73 13.917 24.833 -18.638 1.00 0.00 H new ATOM 0 HA VAL A 73 15.552 26.090 -20.590 1.00 0.00 H new ATOM 0 HB VAL A 73 15.683 23.409 -19.155 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.049 23.354 -19.879 1.00 0.00 H new ATOM 0 HG12 VAL A 73 16.950 23.329 -21.279 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.791 24.833 -20.835 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.410 24.590 -17.811 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.143 26.066 -18.769 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.847 25.436 -17.725 1.00 0.00 H new ATOM 696 N SER A 74 15.335 24.816 -22.730 1.00 0.00 N ATOM 697 CA SER A 74 15.064 24.181 -24.015 1.00 0.00 C ATOM 698 C SER A 74 15.502 22.721 -24.003 1.00 0.00 C ATOM 699 O SER A 74 14.777 21.846 -24.467 1.00 0.00 O ATOM 700 CB SER A 74 15.804 24.921 -25.128 1.00 0.00 C ATOM 701 OG SER A 74 15.499 24.316 -26.378 1.00 0.00 O ATOM 0 H SER A 74 15.985 25.601 -22.771 1.00 0.00 H new ATOM 0 HA SER A 74 13.990 24.224 -24.195 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.512 25.971 -25.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.879 24.890 -24.949 1.00 0.00 H new ATOM 0 HG SER A 74 15.971 24.789 -27.094 1.00 0.00 H new ATOM 707 N ASP A 75 16.692 22.464 -23.465 1.00 0.00 N ATOM 708 CA ASP A 75 17.224 21.100 -23.395 1.00 0.00 C ATOM 709 C ASP A 75 17.782 20.826 -22.001 1.00 0.00 C ATOM 710 O ASP A 75 18.992 20.893 -21.782 1.00 0.00 O ATOM 711 CB ASP A 75 18.323 20.916 -24.436 1.00 0.00 C ATOM 712 CG ASP A 75 17.709 20.867 -25.830 1.00 0.00 C ATOM 713 OD1 ASP A 75 16.533 21.180 -25.949 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 18.418 20.517 -26.756 1.00 0.00 O ATOM 0 H ASP A 75 17.306 23.177 -23.072 1.00 0.00 H new ATOM 0 HA ASP A 75 16.417 20.397 -23.599 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.038 21.736 -24.372 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.874 19.996 -24.238 1.00 0.00 H new ATOM 719 N PRO A 76 16.921 20.526 -21.061 1.00 0.00 N ATOM 720 CA PRO A 76 17.333 20.245 -19.657 1.00 0.00 C ATOM 721 C PRO A 76 18.386 19.147 -19.576 1.00 0.00 C ATOM 722 O PRO A 76 18.088 17.977 -19.802 1.00 0.00 O ATOM 723 CB PRO A 76 16.026 19.802 -18.969 1.00 0.00 C ATOM 724 CG PRO A 76 14.924 20.367 -19.814 1.00 0.00 C ATOM 725 CD PRO A 76 15.467 20.427 -21.242 1.00 0.00 C ATOM 0 HA PRO A 76 17.792 21.115 -19.187 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.960 18.715 -18.912 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.972 20.179 -17.948 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.034 19.740 -19.762 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.636 21.359 -19.465 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.194 19.538 -21.811 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.072 21.286 -21.784 1.00 0.00 H new ATOM 733 N LYS A 77 19.613 19.531 -19.237 1.00 0.00 N ATOM 734 CA LYS A 77 20.713 18.570 -19.112 1.00 0.00 C ATOM 735 C LYS A 77 21.204 18.524 -17.668 1.00 0.00 C ATOM 736 O LYS A 77 22.039 19.316 -17.250 1.00 0.00 O ATOM 737 CB LYS A 77 21.863 18.972 -20.037 1.00 0.00 C ATOM 738 CG LYS A 77 22.051 20.489 -19.995 1.00 0.00 C ATOM 739 CD LYS A 77 23.336 20.858 -20.733 1.00 0.00 C ATOM 740 CE LYS A 77 23.574 22.358 -20.600 1.00 0.00 C ATOM 741 NZ LYS A 77 24.843 22.725 -21.300 1.00 0.00 N1+ ATOM 0 H LYS A 77 19.874 20.498 -19.044 1.00 0.00 H new ATOM 0 HA LYS A 77 20.353 17.581 -19.397 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.782 18.473 -19.729 1.00 0.00 H new ATOM 0 HB3 LYS A 77 21.652 18.650 -21.057 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.197 20.986 -20.456 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.100 20.833 -18.962 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.179 20.305 -20.319 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.259 20.581 -21.784 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.737 22.909 -21.029 1.00 0.00 H new ATOM 0 HE3 LYS A 77 23.633 22.636 -19.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 25.006 23.748 -21.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.638 22.209 -20.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 24.769 22.474 -22.307 1.00 0.00 H new ATOM 755 N VAL A 78 20.676 17.580 -16.911 1.00 0.00 N ATOM 756 CA VAL A 78 21.064 17.415 -15.509 1.00 0.00 C ATOM 757 C VAL A 78 21.079 15.942 -15.118 1.00 0.00 C ATOM 758 O VAL A 78 20.481 15.103 -15.790 1.00 0.00 O ATOM 759 CB VAL A 78 20.092 18.184 -14.612 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.396 19.679 -14.692 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.657 17.936 -15.088 1.00 0.00 C ATOM 0 H VAL A 78 19.977 16.912 -17.237 1.00 0.00 H new ATOM 0 HA VAL A 78 22.071 17.812 -15.379 1.00 0.00 H new ATOM 0 HB VAL A 78 20.203 17.843 -13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.703 20.226 -14.053 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.418 19.861 -14.359 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.284 20.018 -15.722 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.962 18.483 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.551 18.278 -16.117 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.435 16.870 -15.035 1.00 0.00 H new ATOM 771 N ILE A 79 21.764 15.636 -14.020 1.00 0.00 N ATOM 772 CA ILE A 79 21.852 14.259 -13.533 1.00 0.00 C ATOM 773 C ILE A 79 20.779 14.002 -12.480 1.00 0.00 C ATOM 774 O ILE A 79 20.360 14.914 -11.767 1.00 0.00 O ATOM 775 CB ILE A 79 23.236 14.004 -12.937 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.302 14.293 -13.996 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.338 12.539 -12.505 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.691 14.092 -13.389 1.00 0.00 C ATOM 0 H ILE A 79 22.265 16.318 -13.451 1.00 0.00 H new ATOM 0 HA ILE A 79 21.693 13.580 -14.371 1.00 0.00 H new ATOM 0 HB ILE A 79 23.389 14.652 -12.074 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.168 13.632 -14.852 1.00 0.00 H new ATOM 0 HG13 ILE A 79 24.198 15.314 -14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.324 12.353 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.574 12.326 -11.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.189 11.893 -13.370 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.451 14.298 -14.143 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.822 14.772 -12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.792 13.063 -13.044 1.00 0.00 H new ATOM 790 N CYS A 80 20.342 12.748 -12.382 1.00 0.00 N ATOM 791 CA CYS A 80 19.322 12.371 -11.406 1.00 0.00 C ATOM 792 C CYS A 80 19.961 11.999 -10.070 1.00 0.00 C ATOM 793 O CYS A 80 21.183 12.033 -9.917 1.00 0.00 O ATOM 794 CB CYS A 80 18.508 11.189 -11.938 1.00 0.00 C ATOM 795 SG CYS A 80 19.421 9.647 -11.698 1.00 0.00 S ATOM 0 H CYS A 80 20.676 11.979 -12.963 1.00 0.00 H new ATOM 0 HA CYS A 80 18.663 13.225 -11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.549 11.137 -11.423 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.293 11.333 -12.997 1.00 0.00 H new ATOM 0 HG CYS A 80 19.086 8.796 -12.622 1.00 0.00 H new ATOM 800 N ARG A 81 19.125 11.646 -9.100 1.00 0.00 N ATOM 801 CA ARG A 81 19.622 11.271 -7.784 1.00 0.00 C ATOM 802 C ARG A 81 20.411 9.967 -7.849 1.00 0.00 C ATOM 803 O ARG A 81 21.569 9.909 -7.436 1.00 0.00 O ATOM 804 CB ARG A 81 18.450 11.103 -6.815 1.00 0.00 C ATOM 805 CG ARG A 81 17.851 12.474 -6.496 1.00 0.00 C ATOM 806 CD ARG A 81 16.666 12.305 -5.545 1.00 0.00 C ATOM 807 NE ARG A 81 16.083 13.604 -5.230 1.00 0.00 N ATOM 808 CZ ARG A 81 14.989 13.704 -4.482 1.00 0.00 C ATOM 809 NH1 ARG A 81 14.418 12.629 -4.015 1.00 0.00 N ATOM 810 NH2 ARG A 81 14.486 14.878 -4.216 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.110 11.612 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 81 20.283 12.063 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.691 10.456 -7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.789 10.620 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.606 13.116 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.527 12.963 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.914 11.662 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.993 11.813 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 81 16.523 14.451 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.811 11.711 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.578 12.706 -3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.932 15.719 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.646 14.955 -3.642 1.00 0.00 H new ATOM 824 N THR A 82 19.775 8.917 -8.365 1.00 0.00 N ATOM 825 CA THR A 82 20.429 7.618 -8.466 1.00 0.00 C ATOM 826 C THR A 82 21.811 7.756 -9.094 1.00 0.00 C ATOM 827 O THR A 82 22.786 7.192 -8.598 1.00 0.00 O ATOM 828 CB THR A 82 19.576 6.672 -9.319 1.00 0.00 C ATOM 829 OG1 THR A 82 19.490 7.182 -10.643 1.00 0.00 O ATOM 830 CG2 THR A 82 18.172 6.564 -8.722 1.00 0.00 C ATOM 0 H THR A 82 18.818 8.941 -8.716 1.00 0.00 H new ATOM 0 HA THR A 82 20.539 7.211 -7.461 1.00 0.00 H new ATOM 0 HB THR A 82 20.037 5.684 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.474 8.161 -10.616 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.569 5.891 -9.331 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.238 6.174 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.708 7.550 -8.703 1.00 0.00 H new ATOM 838 N CYS A 83 21.892 8.519 -10.178 1.00 0.00 N ATOM 839 CA CYS A 83 23.161 8.735 -10.859 1.00 0.00 C ATOM 840 C CYS A 83 24.030 9.708 -10.081 1.00 0.00 C ATOM 841 O CYS A 83 25.234 9.793 -10.309 1.00 0.00 O ATOM 842 CB CYS A 83 22.915 9.269 -12.266 1.00 0.00 C ATOM 843 SG CYS A 83 22.136 7.992 -13.282 1.00 0.00 S ATOM 0 H CYS A 83 21.097 8.996 -10.602 1.00 0.00 H new ATOM 0 HA CYS A 83 23.683 7.780 -10.924 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.276 10.151 -12.223 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.858 9.579 -12.716 1.00 0.00 H new ATOM 0 HG CYS A 83 20.843 8.117 -13.221 1.00 0.00 H new ATOM 947 N SER A 90 23.314 5.848 4.108 1.00 0.00 N ATOM 948 CA SER A 90 23.165 4.577 3.403 1.00 0.00 C ATOM 949 C SER A 90 22.773 3.476 4.376 1.00 0.00 C ATOM 950 O SER A 90 22.889 3.635 5.588 1.00 0.00 O ATOM 951 CB SER A 90 24.477 4.209 2.710 1.00 0.00 C ATOM 952 OG SER A 90 25.353 3.606 3.655 1.00 0.00 O ATOM 0 HA SER A 90 22.379 4.683 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 90 24.286 3.523 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 90 24.939 5.100 2.284 1.00 0.00 H new ATOM 0 HG SER A 90 26.275 3.657 3.326 1.00 0.00 H new ATOM 958 N ILE A 91 22.307 2.354 3.832 1.00 0.00 N ATOM 959 CA ILE A 91 21.894 1.212 4.655 1.00 0.00 C ATOM 960 C ILE A 91 22.607 -0.054 4.199 1.00 0.00 C ATOM 961 O ILE A 91 22.621 -0.377 3.013 1.00 0.00 O ATOM 962 CB ILE A 91 20.383 1.023 4.564 1.00 0.00 C ATOM 963 CG1 ILE A 91 19.684 2.249 5.160 1.00 0.00 C ATOM 964 CG2 ILE A 91 19.978 -0.224 5.350 1.00 0.00 C ATOM 965 CD1 ILE A 91 18.188 2.172 4.866 1.00 0.00 C ATOM 0 H ILE A 91 22.205 2.208 2.828 1.00 0.00 H new ATOM 0 HA ILE A 91 22.165 1.411 5.692 1.00 0.00 H new ATOM 0 HB ILE A 91 20.091 0.905 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.853 2.290 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.103 3.162 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.898 -0.360 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.479 -1.097 4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.267 -0.106 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 91 17.689 3.044 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.030 2.151 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 91 17.776 1.266 5.311 1.00 0.00 H new ATOM 977 N TRP A 92 23.199 -0.767 5.153 1.00 0.00 N ATOM 978 CA TRP A 92 23.912 -2.000 4.842 1.00 0.00 C ATOM 979 C TRP A 92 22.962 -3.189 4.811 1.00 0.00 C ATOM 980 O TRP A 92 22.430 -3.605 5.841 1.00 0.00 O ATOM 981 CB TRP A 92 25.007 -2.248 5.883 1.00 0.00 C ATOM 982 CG TRP A 92 25.767 -3.485 5.523 1.00 0.00 C ATOM 983 CD1 TRP A 92 25.346 -4.748 5.752 1.00 0.00 C ATOM 984 CD2 TRP A 92 27.066 -3.601 4.878 1.00 0.00 C ATOM 985 NE1 TRP A 92 26.303 -5.633 5.299 1.00 0.00 N ATOM 986 CE2 TRP A 92 27.383 -4.974 4.746 1.00 0.00 C ATOM 987 CE3 TRP A 92 27.992 -2.656 4.400 1.00 0.00 C ATOM 988 CZ2 TRP A 92 28.576 -5.393 4.159 1.00 0.00 C ATOM 989 CZ3 TRP A 92 29.195 -3.076 3.808 1.00 0.00 C ATOM 990 CH2 TRP A 92 29.485 -4.442 3.687 1.00 0.00 C ATOM 0 H TRP A 92 23.199 -0.514 6.141 1.00 0.00 H new ATOM 0 HA TRP A 92 24.362 -1.890 3.855 1.00 0.00 H new ATOM 0 HB2 TRP A 92 25.682 -1.393 5.927 1.00 0.00 H new ATOM 0 HB3 TRP A 92 24.564 -2.356 6.873 1.00 0.00 H new ATOM 0 HD1 TRP A 92 24.410 -5.022 6.216 1.00 0.00 H new ATOM 0 HE1 TRP A 92 26.223 -6.648 5.365 1.00 0.00 H new ATOM 0 HE3 TRP A 92 27.777 -1.601 4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.797 -6.446 4.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 29.900 -2.343 3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 92 30.410 -4.759 3.229 1.00 0.00 H new ATOM 1001 N CYS A 93 22.754 -3.739 3.619 1.00 0.00 N ATOM 1002 CA CYS A 93 21.869 -4.888 3.466 1.00 0.00 C ATOM 1003 C CYS A 93 22.554 -6.136 4.010 1.00 0.00 C ATOM 1004 O CYS A 93 23.717 -6.392 3.707 1.00 0.00 O ATOM 1005 CB CYS A 93 21.531 -5.097 1.988 1.00 0.00 C ATOM 1006 SG CYS A 93 20.625 -6.645 1.786 1.00 0.00 S ATOM 0 H CYS A 93 23.182 -3.412 2.753 1.00 0.00 H new ATOM 0 HA CYS A 93 20.949 -4.703 4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 93 20.933 -4.263 1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.445 -5.119 1.395 1.00 0.00 H new ATOM 0 HG CYS A 93 20.943 -7.189 0.649 1.00 0.00 H new ATOM 1011 N THR A 94 21.831 -6.904 4.816 1.00 0.00 N ATOM 1012 CA THR A 94 22.389 -8.119 5.398 1.00 0.00 C ATOM 1013 C THR A 94 22.149 -9.310 4.482 1.00 0.00 C ATOM 1014 O THR A 94 22.790 -10.352 4.628 1.00 0.00 O ATOM 1015 CB THR A 94 21.749 -8.386 6.763 1.00 0.00 C ATOM 1016 OG1 THR A 94 20.400 -8.797 6.579 1.00 0.00 O ATOM 1017 CG2 THR A 94 21.784 -7.110 7.607 1.00 0.00 C ATOM 0 H THR A 94 20.865 -6.710 5.080 1.00 0.00 H new ATOM 0 HA THR A 94 23.463 -7.980 5.521 1.00 0.00 H new ATOM 0 HB THR A 94 22.304 -9.172 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 94 19.989 -8.970 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 94 21.328 -7.303 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 94 22.818 -6.795 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.231 -6.321 7.097 1.00 0.00 H new ATOM 1025 N ALA A 95 21.223 -9.157 3.532 1.00 0.00 N ATOM 1026 CA ALA A 95 20.915 -10.234 2.602 1.00 0.00 C ATOM 1027 C ALA A 95 21.871 -10.204 1.419 1.00 0.00 C ATOM 1028 O ALA A 95 21.917 -11.148 0.638 1.00 0.00 O ATOM 1029 CB ALA A 95 19.471 -10.087 2.113 1.00 0.00 C ATOM 0 H ALA A 95 20.681 -8.305 3.391 1.00 0.00 H new ATOM 0 HA ALA A 95 21.030 -11.190 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 95 19.239 -10.893 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.792 -10.136 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 95 19.353 -9.127 1.610 1.00 0.00 H new ATOM 1035 N CYS A 96 22.633 -9.119 1.294 1.00 0.00 N ATOM 1036 CA CYS A 96 23.590 -8.977 0.196 1.00 0.00 C ATOM 1037 C CYS A 96 25.001 -8.893 0.735 1.00 0.00 C ATOM 1038 O CYS A 96 25.922 -9.417 0.120 1.00 0.00 O ATOM 1039 CB CYS A 96 23.286 -7.720 -0.616 1.00 0.00 C ATOM 1040 SG CYS A 96 21.760 -7.952 -1.556 1.00 0.00 S ATOM 0 H CYS A 96 22.607 -8.327 1.937 1.00 0.00 H new ATOM 0 HA CYS A 96 23.501 -9.852 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 96 23.187 -6.862 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 96 24.112 -7.505 -1.294 1.00 0.00 H new ATOM 0 HG CYS A 96 20.878 -8.550 -0.811 1.00 0.00 H new ATOM 1045 N GLN A 97 25.161 -8.232 1.885 1.00 0.00 N ATOM 1046 CA GLN A 97 26.472 -8.083 2.512 1.00 0.00 C ATOM 1047 C GLN A 97 27.233 -6.922 1.876 1.00 0.00 C ATOM 1048 O GLN A 97 28.459 -6.953 1.780 1.00 0.00 O ATOM 1049 CB GLN A 97 27.289 -9.379 2.369 1.00 0.00 C ATOM 1050 CG GLN A 97 28.366 -9.446 3.448 1.00 0.00 C ATOM 1051 CD GLN A 97 29.109 -10.771 3.350 1.00 0.00 C ATOM 1052 OE1 GLN A 97 28.569 -11.754 2.844 1.00 0.00 O ATOM 1053 NE2 GLN A 97 30.329 -10.851 3.802 1.00 0.00 N ATOM 0 H GLN A 97 24.397 -7.792 2.399 1.00 0.00 H new ATOM 0 HA GLN A 97 26.323 -7.875 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 97 26.630 -10.243 2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 97 27.750 -9.420 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 97 29.064 -8.617 3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.913 -9.344 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 97 30.772 -10.033 4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 97 30.840 -11.731 3.737 1.00 0.00 H new ATOM 1062 N GLN A 98 26.498 -5.899 1.446 1.00 0.00 N ATOM 1063 CA GLN A 98 27.117 -4.734 0.825 1.00 0.00 C ATOM 1064 C GLN A 98 26.349 -3.468 1.182 1.00 0.00 C ATOM 1065 O GLN A 98 25.179 -3.525 1.560 1.00 0.00 O ATOM 1066 CB GLN A 98 27.153 -4.914 -0.696 1.00 0.00 C ATOM 1067 CG GLN A 98 27.903 -3.744 -1.336 1.00 0.00 C ATOM 1068 CD GLN A 98 28.141 -4.022 -2.815 1.00 0.00 C ATOM 1069 OE1 GLN A 98 28.058 -5.169 -3.252 1.00 0.00 O ATOM 1070 NE2 GLN A 98 28.433 -3.033 -3.613 1.00 0.00 N ATOM 0 H GLN A 98 25.481 -5.854 1.516 1.00 0.00 H new ATOM 0 HA GLN A 98 28.136 -4.638 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 98 27.643 -5.854 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 98 26.138 -4.967 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 98 27.328 -2.825 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 98 28.856 -3.591 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 98 28.501 -2.084 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 98 28.594 -3.208 -4.605 1.00 0.00 H new ATOM 1079 N THR A 99 27.018 -2.325 1.058 1.00 0.00 N ATOM 1080 CA THR A 99 26.392 -1.046 1.366 1.00 0.00 C ATOM 1081 C THR A 99 25.382 -0.670 0.294 1.00 0.00 C ATOM 1082 O THR A 99 25.666 -0.786 -0.896 1.00 0.00 O ATOM 1083 CB THR A 99 27.453 0.048 1.468 1.00 0.00 C ATOM 1084 OG1 THR A 99 28.490 -0.385 2.336 1.00 0.00 O ATOM 1085 CG2 THR A 99 26.819 1.323 2.026 1.00 0.00 C ATOM 0 H THR A 99 27.988 -2.260 0.748 1.00 0.00 H new ATOM 0 HA THR A 99 25.875 -1.142 2.321 1.00 0.00 H new ATOM 0 HB THR A 99 27.865 0.252 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 99 28.197 -1.183 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 99 27.576 2.104 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 99 26.020 1.653 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 99 26.408 1.122 3.016 1.00 0.00 H new ATOM 1093 N LYS A 100 24.202 -0.223 0.721 1.00 0.00 N ATOM 1094 CA LYS A 100 23.152 0.169 -0.217 1.00 0.00 C ATOM 1095 C LYS A 100 22.684 1.593 0.067 1.00 0.00 C ATOM 1096 O LYS A 100 22.457 1.963 1.217 1.00 0.00 O ATOM 1097 CB LYS A 100 21.961 -0.798 -0.099 1.00 0.00 C ATOM 1098 CG LYS A 100 21.175 -0.817 -1.426 1.00 0.00 C ATOM 1099 CD LYS A 100 21.777 -1.877 -2.357 1.00 0.00 C ATOM 1100 CE LYS A 100 21.076 -1.824 -3.708 1.00 0.00 C ATOM 1101 NZ LYS A 100 21.484 -0.586 -4.426 1.00 0.00 N1+ ATOM 0 H LYS A 100 23.950 -0.124 1.704 1.00 0.00 H new ATOM 0 HA LYS A 100 23.557 0.128 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 100 22.316 -1.801 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 100 21.308 -0.489 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 100 20.124 -1.037 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 100 21.215 0.164 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 100 22.845 -1.701 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 100 21.667 -2.868 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 100 21.334 -2.703 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 100 19.995 -1.839 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 20.652 0.020 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 22.190 -0.073 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 21.896 -0.839 -5.347 1.00 0.00 H new ATOM 1115 N GLY A 101 22.540 2.385 -0.990 1.00 0.00 N ATOM 1116 CA GLY A 101 22.097 3.764 -0.837 1.00 0.00 C ATOM 1117 C GLY A 101 20.721 3.826 -0.190 1.00 0.00 C ATOM 1118 O GLY A 101 19.938 2.881 -0.270 1.00 0.00 O ATOM 0 H GLY A 101 22.722 2.099 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 101 22.814 4.315 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 101 22.067 4.250 -1.812 1.00 0.00 H new ATOM 1122 N ILE A 102 20.437 4.951 0.446 1.00 0.00 N ATOM 1123 CA ILE A 102 19.150 5.146 1.109 1.00 0.00 C ATOM 1124 C ILE A 102 18.034 5.333 0.086 1.00 0.00 C ATOM 1125 O ILE A 102 16.907 4.882 0.291 1.00 0.00 O ATOM 1126 CB ILE A 102 19.204 6.360 2.033 1.00 0.00 C ATOM 1127 CG1 ILE A 102 17.849 6.530 2.730 1.00 0.00 C ATOM 1128 CG2 ILE A 102 19.514 7.611 1.213 1.00 0.00 C ATOM 1129 CD1 ILE A 102 17.978 7.566 3.849 1.00 0.00 C ATOM 0 H ILE A 102 21.076 5.743 0.519 1.00 0.00 H new ATOM 0 HA ILE A 102 18.940 4.254 1.699 1.00 0.00 H new ATOM 0 HB ILE A 102 19.983 6.214 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 102 17.095 6.848 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 102 17.516 5.576 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 102 19.553 8.478 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 102 20.476 7.491 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 102 18.735 7.758 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 102 17.015 7.688 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 102 18.719 7.229 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 102 18.292 8.521 3.427 1.00 0.00 H new ATOM 1141 N ASN A 103 18.353 6.015 -1.012 1.00 0.00 N ATOM 1142 CA ASN A 103 17.362 6.275 -2.048 1.00 0.00 C ATOM 1143 C ASN A 103 16.752 4.974 -2.549 1.00 0.00 C ATOM 1144 O ASN A 103 15.537 4.874 -2.715 1.00 0.00 O ATOM 1145 CB ASN A 103 18.027 7.004 -3.221 1.00 0.00 C ATOM 1146 CG ASN A 103 18.478 8.394 -2.789 1.00 0.00 C ATOM 1147 OD1 ASN A 103 17.804 9.036 -1.875 1.00 0.00 O flip ATOM 1148 ND2 ASN A 103 19.471 8.912 -3.300 1.00 0.00 N flip ATOM 0 H ASN A 103 19.281 6.393 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 103 16.571 6.893 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.883 6.430 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.328 7.083 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 103 19.998 8.410 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 103 19.767 9.844 -3.009 1.00 0.00 H new ATOM 1155 N GLU A 104 17.596 3.974 -2.777 1.00 0.00 N ATOM 1156 CA GLU A 104 17.122 2.676 -3.248 1.00 0.00 C ATOM 1157 C GLU A 104 16.663 1.818 -2.082 1.00 0.00 C ATOM 1158 O GLU A 104 16.620 0.595 -2.189 1.00 0.00 O ATOM 1159 CB GLU A 104 18.231 1.958 -4.010 1.00 0.00 C ATOM 1160 CG GLU A 104 18.517 2.703 -5.314 1.00 0.00 C ATOM 1161 CD GLU A 104 19.654 2.023 -6.065 1.00 0.00 C ATOM 1162 OE1 GLU A 104 20.120 1.004 -5.591 1.00 0.00 O ATOM 1163 OE2 GLU A 104 20.042 2.533 -7.104 1.00 0.00 O1- ATOM 0 H GLU A 104 18.606 4.035 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 104 16.276 2.842 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.133 1.910 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.935 0.931 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.621 2.723 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.780 3.739 -5.100 1.00 0.00 H new ATOM 1170 N PHE A 105 16.324 2.464 -0.965 1.00 0.00 N ATOM 1171 CA PHE A 105 15.865 1.742 0.224 1.00 0.00 C ATOM 1172 C PHE A 105 14.520 2.282 0.694 1.00 0.00 C ATOM 1173 O PHE A 105 14.247 3.476 0.591 1.00 0.00 O ATOM 1174 CB PHE A 105 16.914 1.888 1.351 1.00 0.00 C ATOM 1175 CG PHE A 105 17.279 0.527 1.892 1.00 0.00 C ATOM 1176 CD1 PHE A 105 16.453 -0.095 2.833 1.00 0.00 C ATOM 1177 CD2 PHE A 105 18.434 -0.113 1.439 1.00 0.00 C ATOM 1178 CE1 PHE A 105 16.786 -1.360 3.327 1.00 0.00 C ATOM 1179 CE2 PHE A 105 18.766 -1.373 1.932 1.00 0.00 C ATOM 1180 CZ PHE A 105 17.946 -2.000 2.877 1.00 0.00 C ATOM 0 H PHE A 105 16.358 3.478 -0.858 1.00 0.00 H new ATOM 0 HA PHE A 105 15.743 0.689 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 105 17.804 2.388 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 105 16.517 2.512 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 105 15.558 0.401 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 105 19.068 0.367 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.149 -1.842 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 105 19.660 -1.868 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 105 18.208 -2.976 3.258 1.00 0.00 H new ATOM 1190 N SER A 106 13.692 1.391 1.225 1.00 0.00 N ATOM 1191 CA SER A 106 12.382 1.785 1.729 1.00 0.00 C ATOM 1192 C SER A 106 12.506 2.357 3.140 1.00 0.00 C ATOM 1193 O SER A 106 13.348 1.922 3.928 1.00 0.00 O ATOM 1194 CB SER A 106 11.442 0.579 1.736 1.00 0.00 C ATOM 1195 OG SER A 106 10.972 0.350 0.416 1.00 0.00 O ATOM 0 H SER A 106 13.902 0.397 1.318 1.00 0.00 H new ATOM 0 HA SER A 106 11.972 2.554 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.964 -0.303 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.603 0.760 2.408 1.00 0.00 H new ATOM 0 HG SER A 106 11.534 -0.325 -0.019 1.00 0.00 H new ATOM 1201 N LYS A 107 11.651 3.321 3.454 1.00 0.00 N ATOM 1202 CA LYS A 107 11.659 3.938 4.774 1.00 0.00 C ATOM 1203 C LYS A 107 11.069 2.992 5.818 1.00 0.00 C ATOM 1204 O LYS A 107 11.546 2.924 6.951 1.00 0.00 O ATOM 1205 CB LYS A 107 10.858 5.241 4.750 1.00 0.00 C ATOM 1206 CG LYS A 107 10.985 5.946 6.103 1.00 0.00 C ATOM 1207 CD LYS A 107 10.235 7.279 6.055 1.00 0.00 C ATOM 1208 CE LYS A 107 10.376 7.991 7.402 1.00 0.00 C ATOM 1209 NZ LYS A 107 9.667 9.299 7.347 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.946 3.691 2.816 1.00 0.00 H new ATOM 0 HA LYS A 107 12.693 4.154 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.224 5.890 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.810 5.032 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.578 5.316 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.035 6.116 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.634 7.905 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.182 7.109 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.960 7.373 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.429 8.145 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.762 9.784 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.083 9.888 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.660 9.140 7.143 1.00 0.00 H new ATOM 1223 N ALA A 108 10.017 2.276 5.429 1.00 0.00 N ATOM 1224 CA ALA A 108 9.360 1.346 6.340 1.00 0.00 C ATOM 1225 C ALA A 108 10.292 0.200 6.709 1.00 0.00 C ATOM 1226 O ALA A 108 10.299 -0.264 7.847 1.00 0.00 O ATOM 1227 CB ALA A 108 8.095 0.786 5.691 1.00 0.00 C ATOM 0 H ALA A 108 9.605 2.322 4.497 1.00 0.00 H new ATOM 0 HA ALA A 108 9.096 1.888 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.610 0.092 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 108 7.412 1.604 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.359 0.262 4.772 1.00 0.00 H new ATOM 1233 N GLN A 109 11.072 -0.259 5.735 1.00 0.00 N ATOM 1234 CA GLN A 109 12.000 -1.357 5.971 1.00 0.00 C ATOM 1235 C GLN A 109 13.055 -0.965 6.994 1.00 0.00 C ATOM 1236 O GLN A 109 13.247 -1.656 7.987 1.00 0.00 O ATOM 1237 CB GLN A 109 12.683 -1.758 4.664 1.00 0.00 C ATOM 1238 CG GLN A 109 11.674 -2.457 3.751 1.00 0.00 C ATOM 1239 CD GLN A 109 12.355 -2.895 2.463 1.00 0.00 C ATOM 1240 OE1 GLN A 109 13.390 -3.559 2.503 1.00 0.00 O ATOM 1241 NE2 GLN A 109 11.836 -2.562 1.312 1.00 0.00 N ATOM 0 H GLN A 109 11.080 0.109 4.784 1.00 0.00 H new ATOM 0 HA GLN A 109 11.432 -2.202 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.087 -0.876 4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 109 13.523 -2.421 4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.249 -3.322 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.848 -1.783 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.978 -2.012 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.289 -2.852 0.445 1.00 0.00 H new ATOM 1250 N ARG A 110 13.733 0.149 6.749 1.00 0.00 N ATOM 1251 CA ARG A 110 14.773 0.622 7.661 1.00 0.00 C ATOM 1252 C ARG A 110 14.353 0.415 9.115 1.00 0.00 C ATOM 1253 O ARG A 110 15.192 0.325 10.010 1.00 0.00 O ATOM 1254 CB ARG A 110 15.046 2.108 7.412 1.00 0.00 C ATOM 1255 CG ARG A 110 16.212 2.570 8.291 1.00 0.00 C ATOM 1256 CD ARG A 110 16.491 4.048 8.033 1.00 0.00 C ATOM 1257 NE ARG A 110 17.718 4.453 8.710 1.00 0.00 N ATOM 1258 CZ ARG A 110 18.016 5.736 8.883 1.00 0.00 C ATOM 1259 NH1 ARG A 110 17.204 6.659 8.445 1.00 0.00 N ATOM 1260 NH2 ARG A 110 19.120 6.074 9.489 1.00 0.00 N1+ ATOM 0 H ARG A 110 13.585 0.741 5.932 1.00 0.00 H new ATOM 0 HA ARG A 110 15.681 0.048 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 110 15.282 2.274 6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 110 14.155 2.694 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 110 15.973 2.413 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 110 17.101 1.978 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 110 16.582 4.227 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.655 4.651 8.387 1.00 0.00 H new ATOM 0 HE ARG A 110 18.358 3.739 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 110 16.341 6.395 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.433 7.644 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 110 19.756 5.353 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 110 19.348 7.059 9.621 1.00 0.00 H new ATOM 1274 N HIS A 111 13.046 0.343 9.338 1.00 0.00 N ATOM 1275 CA HIS A 111 12.522 0.151 10.686 1.00 0.00 C ATOM 1276 C HIS A 111 12.911 -1.222 11.230 1.00 0.00 C ATOM 1277 O HIS A 111 13.260 -1.357 12.402 1.00 0.00 O ATOM 1278 CB HIS A 111 10.998 0.280 10.679 1.00 0.00 C ATOM 1279 CG HIS A 111 10.489 0.284 12.093 1.00 0.00 C ATOM 1280 ND1 HIS A 111 10.714 1.346 12.955 1.00 0.00 N ATOM 1281 CD2 HIS A 111 9.762 -0.633 12.811 1.00 0.00 C ATOM 1282 CE1 HIS A 111 10.134 1.045 14.130 1.00 0.00 C ATOM 1283 NE2 HIS A 111 9.539 -0.152 14.097 1.00 0.00 N ATOM 0 H HIS A 111 12.335 0.414 8.610 1.00 0.00 H new ATOM 0 HA HIS A 111 12.952 0.919 11.329 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.702 1.199 10.172 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.555 -0.547 10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.416 -1.584 12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.147 1.691 14.995 1.00 0.00 H new ATOM 0 HE2 HIS A 111 9.031 -0.613 14.852 1.00 0.00 H new ATOM 1291 N VAL A 112 12.842 -2.236 10.377 1.00 0.00 N ATOM 1292 CA VAL A 112 13.183 -3.589 10.788 1.00 0.00 C ATOM 1293 C VAL A 112 14.638 -3.665 11.243 1.00 0.00 C ATOM 1294 O VAL A 112 15.459 -2.824 10.876 1.00 0.00 O ATOM 1295 CB VAL A 112 12.961 -4.553 9.614 1.00 0.00 C ATOM 1296 CG1 VAL A 112 11.506 -4.437 9.132 1.00 0.00 C ATOM 1297 CG2 VAL A 112 13.931 -4.216 8.443 1.00 0.00 C ATOM 0 H VAL A 112 12.555 -2.147 9.402 1.00 0.00 H new ATOM 0 HA VAL A 112 12.542 -3.871 11.624 1.00 0.00 H new ATOM 0 HB VAL A 112 13.159 -5.572 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.343 -5.120 8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.831 -4.694 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.311 -3.415 8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.761 -4.909 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.751 -3.196 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.961 -4.307 8.786 1.00 0.00 H new ATOM 1307 N LEU A 113 14.950 -4.672 12.043 1.00 0.00 N ATOM 1308 CA LEU A 113 16.308 -4.848 12.544 1.00 0.00 C ATOM 1309 C LEU A 113 17.251 -5.274 11.433 1.00 0.00 C ATOM 1310 O LEU A 113 18.461 -5.091 11.539 1.00 0.00 O ATOM 1311 CB LEU A 113 16.319 -5.902 13.652 1.00 0.00 C ATOM 1312 CG LEU A 113 15.375 -5.469 14.779 1.00 0.00 C ATOM 1313 CD1 LEU A 113 15.321 -6.565 15.847 1.00 0.00 C ATOM 1314 CD2 LEU A 113 15.869 -4.154 15.411 1.00 0.00 C ATOM 0 H LEU A 113 14.286 -5.379 12.360 1.00 0.00 H new ATOM 0 HA LEU A 113 16.649 -3.891 12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 113 16.008 -6.867 13.253 1.00 0.00 H new ATOM 0 HB3 LEU A 113 17.330 -6.028 14.039 1.00 0.00 H new ATOM 0 HG LEU A 113 14.378 -5.309 14.367 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.650 -6.258 16.649 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.955 -7.490 15.401 1.00 0.00 H new ATOM 0 HD13 LEU A 113 16.320 -6.728 16.252 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.190 -3.857 16.210 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.869 -4.300 15.820 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.898 -3.373 14.651 1.00 0.00 H new ATOM 1326 N ASP A 114 16.694 -5.846 10.369 1.00 0.00 N ATOM 1327 CA ASP A 114 17.500 -6.303 9.232 1.00 0.00 C ATOM 1328 C ASP A 114 16.991 -5.681 7.937 1.00 0.00 C ATOM 1329 O ASP A 114 16.238 -6.306 7.192 1.00 0.00 O ATOM 1330 CB ASP A 114 17.436 -7.822 9.132 1.00 0.00 C ATOM 1331 CG ASP A 114 15.986 -8.285 9.075 1.00 0.00 C ATOM 1332 OD1 ASP A 114 15.120 -7.506 9.432 1.00 0.00 O ATOM 1333 OD2 ASP A 114 15.765 -9.416 8.675 1.00 0.00 O1- ATOM 0 H ASP A 114 15.692 -6.005 10.267 1.00 0.00 H new ATOM 0 HA ASP A 114 18.533 -5.993 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.968 -8.158 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.935 -8.272 9.990 1.00 0.00 H new ATOM 1338 N PRO A 115 17.379 -4.462 7.664 1.00 0.00 N ATOM 1339 CA PRO A 115 16.946 -3.735 6.435 1.00 0.00 C ATOM 1340 C PRO A 115 17.276 -4.513 5.166 1.00 0.00 C ATOM 1341 O PRO A 115 18.319 -5.157 5.079 1.00 0.00 O ATOM 1342 CB PRO A 115 17.742 -2.415 6.489 1.00 0.00 C ATOM 1343 CG PRO A 115 18.111 -2.237 7.927 1.00 0.00 C ATOM 1344 CD PRO A 115 18.267 -3.639 8.500 1.00 0.00 C ATOM 0 HA PRO A 115 15.867 -3.585 6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 115 18.630 -2.465 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.142 -1.579 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.037 -1.671 8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 115 17.340 -1.681 8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.300 -3.981 8.443 1.00 0.00 H new ATOM 0 HD3 PRO A 115 17.976 -3.677 9.550 1.00 0.00 H new ATOM 1352 N ARG A 116 16.378 -4.448 4.186 1.00 0.00 N ATOM 1353 CA ARG A 116 16.578 -5.151 2.915 1.00 0.00 C ATOM 1354 C ARG A 116 16.450 -4.185 1.745 1.00 0.00 C ATOM 1355 O ARG A 116 15.607 -3.286 1.756 1.00 0.00 O ATOM 1356 CB ARG A 116 15.541 -6.265 2.776 1.00 0.00 C ATOM 1357 CG ARG A 116 15.814 -7.351 3.819 1.00 0.00 C ATOM 1358 CD ARG A 116 14.746 -8.439 3.715 1.00 0.00 C ATOM 1359 NE ARG A 116 14.983 -9.473 4.718 1.00 0.00 N ATOM 1360 CZ ARG A 116 15.805 -10.490 4.476 1.00 0.00 C ATOM 1361 NH1 ARG A 116 16.420 -10.574 3.329 1.00 0.00 N ATOM 1362 NH2 ARG A 116 15.998 -11.403 5.389 1.00 0.00 N1+ ATOM 0 H ARG A 116 15.508 -3.919 4.244 1.00 0.00 H new ATOM 0 HA ARG A 116 17.580 -5.580 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.538 -5.861 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.581 -6.691 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.803 -7.781 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.811 -6.918 4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.757 -8.003 3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.760 -8.879 2.718 1.00 0.00 H new ATOM 0 HE ARG A 116 14.510 -9.414 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 116 16.271 -9.859 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.050 -11.354 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 116 15.519 -11.336 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 116 16.628 -12.184 5.205 1.00 0.00 H new ATOM 1376 N CYS A 117 17.298 -4.368 0.740 1.00 0.00 N ATOM 1377 CA CYS A 117 17.276 -3.505 -0.434 1.00 0.00 C ATOM 1378 C CYS A 117 16.087 -3.850 -1.325 1.00 0.00 C ATOM 1379 O CYS A 117 15.598 -4.981 -1.311 1.00 0.00 O ATOM 1380 CB CYS A 117 18.577 -3.666 -1.220 1.00 0.00 C ATOM 1381 SG CYS A 117 18.794 -5.401 -1.684 1.00 0.00 S ATOM 0 H CYS A 117 18.006 -5.102 0.714 1.00 0.00 H new ATOM 0 HA CYS A 117 17.179 -2.470 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 117 18.555 -3.040 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 117 19.422 -3.332 -0.618 1.00 0.00 H new ATOM 0 HG CYS A 117 20.019 -5.764 -1.445 1.00 0.00 H new ATOM 1386 N GLN A 118 15.619 -2.868 -2.092 1.00 0.00 N ATOM 1387 CA GLN A 118 14.482 -3.085 -2.977 1.00 0.00 C ATOM 1388 C GLN A 118 14.693 -4.323 -3.840 1.00 0.00 C ATOM 1389 O GLN A 118 13.762 -4.806 -4.481 1.00 0.00 O ATOM 1390 CB GLN A 118 14.283 -1.862 -3.876 1.00 0.00 C ATOM 1391 CG GLN A 118 13.853 -0.664 -3.026 1.00 0.00 C ATOM 1392 CD GLN A 118 12.463 -0.904 -2.449 1.00 0.00 C ATOM 1393 OE1 GLN A 118 12.295 -0.907 -1.156 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 11.505 -1.100 -3.196 1.00 0.00 N flip ATOM 0 H GLN A 118 16.006 -1.925 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 118 13.595 -3.237 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 118 15.208 -1.632 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 118 13.528 -2.074 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 118 14.568 -0.505 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.852 0.241 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.638 -1.097 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.578 -1.265 -2.804 1.00 0.00 H new ATOM 1403 N ILE A 119 15.920 -4.830 -3.851 1.00 0.00 N ATOM 1404 CA ILE A 119 16.242 -6.017 -4.640 1.00 0.00 C ATOM 1405 C ILE A 119 16.027 -7.287 -3.818 1.00 0.00 C ATOM 1406 O ILE A 119 15.543 -8.296 -4.331 1.00 0.00 O ATOM 1407 CB ILE A 119 17.698 -5.948 -5.116 1.00 0.00 C ATOM 1408 CG1 ILE A 119 17.827 -4.865 -6.193 1.00 0.00 C ATOM 1409 CG2 ILE A 119 18.122 -7.300 -5.697 1.00 0.00 C ATOM 1410 CD1 ILE A 119 17.437 -3.500 -5.613 1.00 0.00 C ATOM 0 H ILE A 119 16.705 -4.442 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 119 15.579 -6.046 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 119 18.342 -5.706 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.851 -4.832 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.186 -5.106 -7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 119 19.157 -7.243 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 119 18.031 -8.070 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.480 -7.551 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 119 17.532 -2.736 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 119 16.406 -3.535 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 119 18.096 -3.257 -4.780 1.00 0.00 H new ATOM 1422 N CYS A 120 16.410 -7.233 -2.548 1.00 0.00 N ATOM 1423 CA CYS A 120 16.267 -8.385 -1.664 1.00 0.00 C ATOM 1424 C CYS A 120 14.801 -8.674 -1.377 1.00 0.00 C ATOM 1425 O CYS A 120 14.401 -9.829 -1.228 1.00 0.00 O ATOM 1426 CB CYS A 120 17.035 -8.147 -0.349 1.00 0.00 C ATOM 1427 SG CYS A 120 18.746 -8.663 -0.581 1.00 0.00 S ATOM 0 H CYS A 120 16.820 -6.409 -2.108 1.00 0.00 H new ATOM 0 HA CYS A 120 16.690 -9.254 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 120 16.992 -7.094 -0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 120 16.577 -8.710 0.464 1.00 0.00 H new ATOM 0 HG CYS A 120 19.433 -7.677 -1.076 1.00 0.00 H new ATOM 1432 N VAL A 121 14.006 -7.617 -1.296 1.00 0.00 N ATOM 1433 CA VAL A 121 12.583 -7.765 -1.020 1.00 0.00 C ATOM 1434 C VAL A 121 11.861 -8.369 -2.220 1.00 0.00 C ATOM 1435 O VAL A 121 10.998 -9.232 -2.070 1.00 0.00 O ATOM 1436 CB VAL A 121 11.972 -6.408 -0.678 1.00 0.00 C ATOM 1437 CG1 VAL A 121 12.785 -5.747 0.438 1.00 0.00 C ATOM 1438 CG2 VAL A 121 11.991 -5.514 -1.919 1.00 0.00 C ATOM 0 H VAL A 121 14.318 -6.654 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 121 12.466 -8.437 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 121 10.944 -6.547 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.348 -4.778 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.773 -6.383 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 121 13.814 -5.608 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.555 -4.545 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.020 -5.376 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.412 -5.983 -2.714 1.00 0.00 H new ATOM 1448 N HIS A 122 12.221 -7.901 -3.411 1.00 0.00 N ATOM 1449 CA HIS A 122 11.600 -8.394 -4.634 1.00 0.00 C ATOM 1450 C HIS A 122 12.130 -9.779 -4.983 1.00 0.00 C ATOM 1451 O HIS A 122 11.713 -10.382 -5.969 1.00 0.00 O ATOM 1452 CB HIS A 122 11.881 -7.434 -5.792 1.00 0.00 C ATOM 1453 CG HIS A 122 10.985 -7.770 -6.953 1.00 0.00 C ATOM 1454 ND1 HIS A 122 11.432 -8.497 -8.047 1.00 0.00 N ATOM 1455 CD2 HIS A 122 9.665 -7.488 -7.206 1.00 0.00 C ATOM 1456 CE1 HIS A 122 10.398 -8.627 -8.898 1.00 0.00 C ATOM 1457 NE2 HIS A 122 9.297 -8.030 -8.434 1.00 0.00 N ATOM 0 H HIS A 122 12.934 -7.186 -3.554 1.00 0.00 H new ATOM 0 HA HIS A 122 10.524 -8.457 -4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 122 11.712 -6.405 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 122 12.926 -7.507 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 122 9.012 -6.930 -6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 122 10.452 -9.150 -9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 122 8.383 -7.982 -8.883 1.00 0.00 H new