USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=27 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 -157:sc= 1.53 USER MOD Set 1.2: A 96 CYS SG : rot 132:sc= 0.447 USER MOD Set 1.3: A 117 CYS SG : rot -51:sc= 0.609 USER MOD Set 1.4: A 120 CYS SG : rot 57:sc= -8.51! USER MOD Set 2.1: A 42 CYS SG : rot 145:sc= 1 USER MOD Set 2.2: A 45 CYS SG : rot -52:sc= -0.173 USER MOD Set 2.3: A 54 TYR OH : rot -177:sc= -0.421 USER MOD Set 2.4: A 80 CYS SG : rot -143:sc= 0.488 USER MOD Set 2.5: A 83 CYS SG : rot 84:sc= -1.55 USER MOD Single : A 41 MET CE :methyl -157:sc= -0.0291 (180deg=-0.0684) USER MOD Single : A 43 MET CE :methyl -122:sc= -0.6 (180deg=-2.92!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -4.36! (180deg=-5.07!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -150:sc= -1.21 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 58 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : A 60 SER OG : rot 78:sc= 0.33 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0694) USER MOD Single : A 62 THR OG1 : rot -77:sc= 0.583! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0294 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 82 THR OG1 : rot -148:sc= -0.52 USER MOD Single : A 90 SER OG : rot -26:sc= 0.0279 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 98 GLN : amide:sc= -0.032 K(o=-0.032,f=-2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0257 K(o=-0.026,f=-0.84) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -3.25! C(o=-3.3!,f=-5.3!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 122 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 6.530 20.206 -10.646 1.00 0.00 N ATOM 88 CA ASP A 37 6.089 18.814 -10.746 1.00 0.00 C ATOM 89 C ASP A 37 6.295 18.291 -12.164 1.00 0.00 C ATOM 90 O ASP A 37 5.507 17.489 -12.661 1.00 0.00 O ATOM 91 CB ASP A 37 4.611 18.707 -10.373 1.00 0.00 C ATOM 92 CG ASP A 37 4.434 18.942 -8.876 1.00 0.00 C ATOM 93 OD1 ASP A 37 5.432 18.939 -8.175 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 3.303 19.125 -8.455 1.00 0.00 O ATOM 0 HA ASP A 37 6.682 18.213 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.031 19.439 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.229 17.722 -10.643 1.00 0.00 H new ATOM 99 N ALA A 38 7.362 18.751 -12.811 1.00 0.00 N ATOM 100 CA ALA A 38 7.665 18.323 -14.170 1.00 0.00 C ATOM 101 C ALA A 38 8.366 16.971 -14.161 1.00 0.00 C ATOM 102 O ALA A 38 8.613 16.401 -13.101 1.00 0.00 O ATOM 103 CB ALA A 38 8.555 19.358 -14.864 1.00 0.00 C ATOM 0 H ALA A 38 8.027 19.417 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 38 6.727 18.231 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.775 19.027 -15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.038 20.317 -14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.486 19.468 -14.309 1.00 0.00 H new ATOM 109 N LEU A 39 8.693 16.466 -15.348 1.00 0.00 N ATOM 110 CA LEU A 39 9.384 15.183 -15.466 1.00 0.00 C ATOM 111 C LEU A 39 10.485 15.259 -16.511 1.00 0.00 C ATOM 112 O LEU A 39 10.238 15.096 -17.703 1.00 0.00 O ATOM 113 CB LEU A 39 8.389 14.090 -15.851 1.00 0.00 C ATOM 114 CG LEU A 39 7.467 13.788 -14.663 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.249 13.001 -15.146 1.00 0.00 C ATOM 116 CD2 LEU A 39 8.226 12.964 -13.610 1.00 0.00 C ATOM 0 H LEU A 39 8.492 16.922 -16.238 1.00 0.00 H new ATOM 0 HA LEU A 39 9.833 14.945 -14.502 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.799 14.409 -16.710 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.923 13.187 -16.148 1.00 0.00 H new ATOM 0 HG LEU A 39 7.139 14.727 -14.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.595 12.787 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.706 13.589 -15.885 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.577 12.064 -15.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.566 12.753 -12.769 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.560 12.026 -14.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.090 13.528 -13.260 1.00 0.00 H new ATOM 128 N ILE A 40 11.707 15.512 -16.054 1.00 0.00 N ATOM 129 CA ILE A 40 12.852 15.612 -16.959 1.00 0.00 C ATOM 130 C ILE A 40 13.464 14.242 -17.206 1.00 0.00 C ATOM 131 O ILE A 40 13.596 13.438 -16.287 1.00 0.00 O ATOM 132 CB ILE A 40 13.910 16.549 -16.371 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.281 17.921 -16.099 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.064 16.708 -17.361 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.690 18.499 -17.394 1.00 0.00 C ATOM 0 H ILE A 40 11.932 15.651 -15.069 1.00 0.00 H new ATOM 0 HA ILE A 40 12.501 16.016 -17.909 1.00 0.00 H new ATOM 0 HB ILE A 40 14.288 16.128 -15.439 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.500 17.828 -15.344 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.033 18.601 -15.698 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.816 17.376 -16.940 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.513 15.734 -17.556 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.688 17.128 -18.294 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.246 19.473 -17.188 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.480 18.610 -18.137 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.924 17.825 -17.777 1.00 0.00 H new ATOM 147 N MET A 41 13.830 13.983 -18.457 1.00 0.00 N ATOM 148 CA MET A 41 14.425 12.701 -18.816 1.00 0.00 C ATOM 149 C MET A 41 15.885 12.648 -18.379 1.00 0.00 C ATOM 150 O MET A 41 16.613 13.637 -18.488 1.00 0.00 O ATOM 151 CB MET A 41 14.335 12.486 -20.327 1.00 0.00 C ATOM 152 CG MET A 41 14.724 11.044 -20.663 1.00 0.00 C ATOM 153 SD MET A 41 14.430 10.736 -22.422 1.00 0.00 S ATOM 154 CE MET A 41 15.073 9.046 -22.466 1.00 0.00 C ATOM 0 H MET A 41 13.726 14.637 -19.233 1.00 0.00 H new ATOM 0 HA MET A 41 13.875 11.911 -18.305 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.322 12.691 -20.674 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.996 13.182 -20.844 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.774 10.874 -20.423 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.142 10.348 -20.058 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.371 8.797 -23.484 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.937 8.968 -21.806 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.299 8.354 -22.134 1.00 0.00 H new ATOM 164 N CYS A 42 16.308 11.489 -17.883 1.00 0.00 N ATOM 165 CA CYS A 42 17.688 11.317 -17.429 1.00 0.00 C ATOM 166 C CYS A 42 18.610 10.993 -18.606 1.00 0.00 C ATOM 167 O CYS A 42 18.243 10.238 -19.499 1.00 0.00 O ATOM 168 CB CYS A 42 17.761 10.194 -16.392 1.00 0.00 C ATOM 169 SG CYS A 42 19.310 10.330 -15.461 1.00 0.00 S ATOM 0 H CYS A 42 15.722 10.660 -17.785 1.00 0.00 H new ATOM 0 HA CYS A 42 18.019 12.251 -16.975 1.00 0.00 H new ATOM 0 HB2 CYS A 42 16.910 10.255 -15.714 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.705 9.224 -16.886 1.00 0.00 H new ATOM 0 HG CYS A 42 19.110 9.963 -14.230 1.00 0.00 H new ATOM 174 N MET A 43 19.794 11.590 -18.618 1.00 0.00 N ATOM 175 CA MET A 43 20.734 11.361 -19.720 1.00 0.00 C ATOM 176 C MET A 43 21.458 10.039 -19.531 1.00 0.00 C ATOM 177 O MET A 43 22.263 9.636 -20.374 1.00 0.00 O ATOM 178 CB MET A 43 21.756 12.502 -19.783 1.00 0.00 C ATOM 179 CG MET A 43 22.156 12.906 -18.364 1.00 0.00 C ATOM 180 SD MET A 43 23.575 14.026 -18.434 1.00 0.00 S ATOM 181 CE MET A 43 23.935 14.046 -16.661 1.00 0.00 C ATOM 0 H MET A 43 20.128 12.226 -17.894 1.00 0.00 H new ATOM 0 HA MET A 43 20.172 11.327 -20.654 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.635 12.186 -20.344 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.331 13.356 -20.310 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.319 13.393 -17.863 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.406 12.021 -17.779 1.00 0.00 H new ATOM 0 HE1 MET A 43 23.891 15.071 -16.292 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.199 13.439 -16.134 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.932 13.641 -16.488 1.00 0.00 H new ATOM 191 N ARG A 44 21.180 9.369 -18.415 1.00 0.00 N ATOM 192 CA ARG A 44 21.818 8.088 -18.120 1.00 0.00 C ATOM 193 C ARG A 44 20.797 6.960 -18.086 1.00 0.00 C ATOM 194 O ARG A 44 20.553 6.307 -19.100 1.00 0.00 O ATOM 195 CB ARG A 44 22.536 8.164 -16.775 1.00 0.00 C ATOM 196 CG ARG A 44 23.787 9.048 -16.896 1.00 0.00 C ATOM 197 CD ARG A 44 24.741 8.748 -15.745 1.00 0.00 C ATOM 198 NE ARG A 44 25.331 7.424 -15.910 1.00 0.00 N ATOM 199 CZ ARG A 44 26.166 6.924 -15.002 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.468 7.619 -13.941 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.681 5.738 -15.174 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.522 9.689 -17.704 1.00 0.00 H new ATOM 0 HA ARG A 44 22.537 7.879 -18.912 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.865 8.570 -16.018 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.818 7.164 -16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.283 8.865 -17.849 1.00 0.00 H new ATOM 0 HG3 ARG A 44 23.503 10.100 -16.881 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.527 9.502 -15.709 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.206 8.800 -14.797 1.00 0.00 H new ATOM 0 HE ARG A 44 25.100 6.872 -16.736 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.064 8.546 -13.807 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.108 7.236 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 44 26.444 5.194 -16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.321 5.354 -14.479 1.00 0.00 H new ATOM 215 N CYS A 45 20.214 6.733 -16.917 1.00 0.00 N ATOM 216 CA CYS A 45 19.234 5.666 -16.759 1.00 0.00 C ATOM 217 C CYS A 45 17.976 5.958 -17.565 1.00 0.00 C ATOM 218 O CYS A 45 16.989 5.228 -17.464 1.00 0.00 O ATOM 219 CB CYS A 45 18.869 5.501 -15.283 1.00 0.00 C ATOM 220 SG CYS A 45 17.896 6.926 -14.732 1.00 0.00 S ATOM 0 H CYS A 45 20.400 7.269 -16.069 1.00 0.00 H new ATOM 0 HA CYS A 45 19.678 4.742 -17.129 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.300 4.582 -15.140 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.774 5.412 -14.682 1.00 0.00 H new ATOM 0 HG CYS A 45 18.524 8.023 -15.035 1.00 0.00 H new ATOM 225 N ARG A 46 18.019 7.021 -18.364 1.00 0.00 N ATOM 226 CA ARG A 46 16.874 7.393 -19.191 1.00 0.00 C ATOM 227 C ARG A 46 15.569 7.131 -18.463 1.00 0.00 C ATOM 228 O ARG A 46 14.644 6.542 -19.023 1.00 0.00 O ATOM 229 CB ARG A 46 16.900 6.608 -20.500 1.00 0.00 C ATOM 230 CG ARG A 46 18.104 7.045 -21.339 1.00 0.00 C ATOM 231 CD ARG A 46 18.078 6.325 -22.687 1.00 0.00 C ATOM 232 NE ARG A 46 18.290 4.894 -22.499 1.00 0.00 N ATOM 233 CZ ARG A 46 19.485 4.414 -22.174 1.00 0.00 C ATOM 234 NH1 ARG A 46 20.492 5.227 -22.015 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.650 3.130 -22.012 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.828 7.636 -18.456 1.00 0.00 H new ATOM 0 HA ARG A 46 16.941 8.460 -19.405 1.00 0.00 H new ATOM 0 HB2 ARG A 46 16.957 5.539 -20.293 1.00 0.00 H new ATOM 0 HB3 ARG A 46 15.977 6.777 -21.055 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.082 8.124 -21.491 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.030 6.817 -20.811 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.121 6.496 -23.180 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.851 6.732 -23.340 1.00 0.00 H new ATOM 0 HE ARG A 46 17.507 4.251 -22.619 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.362 6.231 -22.140 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.410 4.859 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.861 2.495 -22.135 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.568 2.761 -21.762 1.00 0.00 H new ATOM 249 N LYS A 47 15.501 7.558 -17.204 1.00 0.00 N ATOM 250 CA LYS A 47 14.300 7.354 -16.396 1.00 0.00 C ATOM 251 C LYS A 47 13.662 8.693 -16.043 1.00 0.00 C ATOM 252 O LYS A 47 14.303 9.563 -15.458 1.00 0.00 O ATOM 253 CB LYS A 47 14.655 6.602 -15.114 1.00 0.00 C ATOM 254 CG LYS A 47 13.375 6.059 -14.470 1.00 0.00 C ATOM 255 CD LYS A 47 13.741 5.137 -13.294 1.00 0.00 C ATOM 256 CE LYS A 47 13.916 3.705 -13.802 1.00 0.00 C ATOM 257 NZ LYS A 47 14.390 2.839 -12.690 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.258 8.044 -16.723 1.00 0.00 H new ATOM 0 HA LYS A 47 13.589 6.766 -16.976 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.338 5.783 -15.338 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.170 7.267 -14.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.754 6.883 -14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.789 5.510 -15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.661 5.481 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.960 5.172 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.971 3.328 -14.193 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.632 3.684 -14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.509 1.865 -13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.301 3.195 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.692 2.850 -11.919 1.00 0.00 H new ATOM 271 N VAL A 48 12.397 8.843 -16.401 1.00 0.00 N ATOM 272 CA VAL A 48 11.673 10.080 -16.119 1.00 0.00 C ATOM 273 C VAL A 48 11.483 10.249 -14.619 1.00 0.00 C ATOM 274 O VAL A 48 11.046 9.327 -13.932 1.00 0.00 O ATOM 275 CB VAL A 48 10.302 10.063 -16.821 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.413 10.745 -18.184 1.00 0.00 C ATOM 277 CG2 VAL A 48 9.853 8.612 -17.012 1.00 0.00 C ATOM 0 H VAL A 48 11.850 8.131 -16.885 1.00 0.00 H new ATOM 0 HA VAL A 48 12.257 10.919 -16.498 1.00 0.00 H new ATOM 0 HB VAL A 48 9.574 10.597 -16.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.441 10.731 -18.678 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.737 11.777 -18.049 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.140 10.214 -18.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.883 8.594 -17.509 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.584 8.083 -17.623 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.772 8.125 -16.040 1.00 0.00 H new ATOM 287 N LYS A 49 11.807 11.437 -14.118 1.00 0.00 N ATOM 288 CA LYS A 49 11.674 11.719 -12.691 1.00 0.00 C ATOM 289 C LYS A 49 11.283 13.168 -12.468 1.00 0.00 C ATOM 290 O LYS A 49 11.573 14.021 -13.289 1.00 0.00 O ATOM 291 CB LYS A 49 13.002 11.431 -11.991 1.00 0.00 C ATOM 292 CG LYS A 49 13.135 9.929 -11.726 1.00 0.00 C ATOM 293 CD LYS A 49 14.544 9.615 -11.229 1.00 0.00 C ATOM 294 CE LYS A 49 14.577 8.194 -10.662 1.00 0.00 C ATOM 295 NZ LYS A 49 13.800 7.285 -11.550 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.161 12.216 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 49 10.893 11.081 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.831 11.775 -12.609 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.055 11.981 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.400 9.614 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.928 9.370 -12.638 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.259 9.709 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.839 10.331 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.607 7.847 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.157 8.183 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.051 6.298 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.783 7.426 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.023 7.496 -12.544 1.00 0.00 H new ATOM 309 N GLY A 50 10.625 13.435 -11.341 1.00 0.00 N ATOM 310 CA GLY A 50 10.202 14.793 -11.009 1.00 0.00 C ATOM 311 C GLY A 50 11.027 15.359 -9.861 1.00 0.00 C ATOM 312 O GLY A 50 11.960 14.716 -9.374 1.00 0.00 O ATOM 0 H GLY A 50 10.374 12.732 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.305 15.434 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.147 14.792 -10.737 1.00 0.00 H new ATOM 316 N ILE A 51 10.684 16.575 -9.436 1.00 0.00 N ATOM 317 CA ILE A 51 11.407 17.217 -8.346 1.00 0.00 C ATOM 318 C ILE A 51 11.471 16.303 -7.122 1.00 0.00 C ATOM 319 O ILE A 51 12.153 16.611 -6.144 1.00 0.00 O ATOM 320 CB ILE A 51 10.715 18.528 -7.967 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.530 19.244 -6.885 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.310 18.233 -7.437 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.096 20.705 -6.800 1.00 0.00 C ATOM 0 H ILE A 51 9.920 17.127 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 51 12.424 17.421 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 51 10.643 19.166 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.385 18.754 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.593 19.183 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.819 19.168 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.729 17.727 -8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.380 17.593 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.677 21.213 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.264 21.191 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.037 20.756 -6.548 1.00 0.00 H new ATOM 335 N ASP A 52 10.773 15.172 -7.185 1.00 0.00 N ATOM 336 CA ASP A 52 10.766 14.231 -6.080 1.00 0.00 C ATOM 337 C ASP A 52 12.099 13.497 -5.990 1.00 0.00 C ATOM 338 O ASP A 52 12.769 13.528 -4.960 1.00 0.00 O ATOM 339 CB ASP A 52 9.630 13.221 -6.272 1.00 0.00 C ATOM 340 CG ASP A 52 9.634 12.213 -5.130 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.343 12.447 -4.164 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.928 11.225 -5.236 1.00 0.00 O1- ATOM 0 H ASP A 52 10.209 14.890 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 52 10.612 14.783 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.672 13.740 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.748 12.705 -7.225 1.00 0.00 H new ATOM 347 N SER A 53 12.479 12.850 -7.084 1.00 0.00 N ATOM 348 CA SER A 53 13.744 12.114 -7.131 1.00 0.00 C ATOM 349 C SER A 53 14.861 13.014 -7.640 1.00 0.00 C ATOM 350 O SER A 53 15.919 12.545 -8.046 1.00 0.00 O ATOM 351 CB SER A 53 13.622 10.892 -8.031 1.00 0.00 C ATOM 352 OG SER A 53 12.762 9.945 -7.422 1.00 0.00 O ATOM 0 H SER A 53 11.937 12.817 -7.947 1.00 0.00 H new ATOM 0 HA SER A 53 13.982 11.784 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.230 11.182 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.605 10.452 -8.201 1.00 0.00 H new ATOM 0 HG SER A 53 12.680 9.158 -8.000 1.00 0.00 H new ATOM 358 N TYR A 54 14.617 14.323 -7.611 1.00 0.00 N ATOM 359 CA TYR A 54 15.613 15.296 -8.068 1.00 0.00 C ATOM 360 C TYR A 54 15.812 16.398 -7.033 1.00 0.00 C ATOM 361 O TYR A 54 14.853 16.896 -6.450 1.00 0.00 O ATOM 362 CB TYR A 54 15.154 15.916 -9.404 1.00 0.00 C ATOM 363 CG TYR A 54 15.862 15.237 -10.558 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.554 13.915 -10.889 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.838 15.932 -11.284 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.219 13.290 -11.946 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.500 15.307 -12.335 1.00 0.00 C ATOM 368 CZ TYR A 54 17.193 13.984 -12.671 1.00 0.00 C ATOM 369 OH TYR A 54 17.848 13.365 -13.716 1.00 0.00 O ATOM 0 H TYR A 54 13.745 14.734 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 54 16.563 14.779 -8.208 1.00 0.00 H new ATOM 0 HB2 TYR A 54 14.075 15.807 -9.514 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.369 16.984 -9.412 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.803 13.378 -10.329 1.00 0.00 H new ATOM 0 HD2 TYR A 54 17.076 16.954 -11.027 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.981 12.269 -12.204 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.253 15.844 -12.893 1.00 0.00 H new ATOM 0 HH TYR A 54 18.524 13.972 -14.084 1.00 0.00 H new ATOM 379 N SER A 55 17.068 16.790 -6.836 1.00 0.00 N ATOM 380 CA SER A 55 17.383 17.851 -5.893 1.00 0.00 C ATOM 381 C SER A 55 16.815 19.181 -6.382 1.00 0.00 C ATOM 382 O SER A 55 16.590 19.373 -7.578 1.00 0.00 O ATOM 383 CB SER A 55 18.899 17.971 -5.734 1.00 0.00 C ATOM 384 OG SER A 55 19.506 18.026 -7.019 1.00 0.00 O ATOM 0 H SER A 55 17.876 16.391 -7.314 1.00 0.00 H new ATOM 0 HA SER A 55 16.935 17.606 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.146 18.867 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.285 17.120 -5.173 1.00 0.00 H new ATOM 0 HG SER A 55 20.404 17.635 -6.974 1.00 0.00 H new ATOM 390 N LYS A 56 16.580 20.094 -5.447 1.00 0.00 N ATOM 391 CA LYS A 56 16.030 21.401 -5.790 1.00 0.00 C ATOM 392 C LYS A 56 16.996 22.173 -6.680 1.00 0.00 C ATOM 393 O LYS A 56 16.580 22.868 -7.608 1.00 0.00 O ATOM 394 CB LYS A 56 15.754 22.202 -4.515 1.00 0.00 C ATOM 395 CG LYS A 56 15.057 23.517 -4.876 1.00 0.00 C ATOM 396 CD LYS A 56 14.716 24.283 -3.595 1.00 0.00 C ATOM 397 CE LYS A 56 14.003 25.588 -3.957 1.00 0.00 C ATOM 398 NZ LYS A 56 13.625 26.308 -2.709 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.760 19.956 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 56 15.097 21.250 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.129 21.621 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.688 22.405 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.704 24.121 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.149 23.316 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.080 23.674 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.625 24.496 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.654 26.214 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.114 25.377 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.140 27.195 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.989 25.711 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.481 26.522 -2.159 1.00 0.00 H new ATOM 412 N THR A 57 18.284 22.062 -6.381 1.00 0.00 N ATOM 413 CA THR A 57 19.301 22.766 -7.153 1.00 0.00 C ATOM 414 C THR A 57 19.320 22.274 -8.595 1.00 0.00 C ATOM 415 O THR A 57 19.336 23.070 -9.531 1.00 0.00 O ATOM 416 CB THR A 57 20.678 22.549 -6.523 1.00 0.00 C ATOM 417 OG1 THR A 57 20.591 22.742 -5.119 1.00 0.00 O ATOM 418 CG2 THR A 57 21.674 23.551 -7.111 1.00 0.00 C ATOM 0 H THR A 57 18.648 21.495 -5.615 1.00 0.00 H new ATOM 0 HA THR A 57 19.060 23.829 -7.147 1.00 0.00 H new ATOM 0 HB THR A 57 21.016 21.534 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.472 22.601 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.655 23.396 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.742 23.406 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.336 24.566 -6.902 1.00 0.00 H new ATOM 426 N GLN A 58 19.324 20.956 -8.768 1.00 0.00 N ATOM 427 CA GLN A 58 19.351 20.368 -10.100 1.00 0.00 C ATOM 428 C GLN A 58 18.068 20.690 -10.856 1.00 0.00 C ATOM 429 O GLN A 58 18.096 20.958 -12.057 1.00 0.00 O ATOM 430 CB GLN A 58 19.517 18.852 -9.997 1.00 0.00 C ATOM 431 CG GLN A 58 20.894 18.524 -9.413 1.00 0.00 C ATOM 432 CD GLN A 58 21.989 18.928 -10.395 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.951 18.537 -11.562 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.965 19.693 -9.993 1.00 0.00 N ATOM 0 H GLN A 58 19.309 20.279 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 58 20.195 20.791 -10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.734 18.432 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.411 18.397 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.031 19.049 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.962 17.457 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.995 20.016 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.699 19.969 -10.646 1.00 0.00 H new ATOM 443 N TRP A 59 16.946 20.655 -10.154 1.00 0.00 N ATOM 444 CA TRP A 59 15.662 20.938 -10.773 1.00 0.00 C ATOM 445 C TRP A 59 15.622 22.366 -11.310 1.00 0.00 C ATOM 446 O TRP A 59 15.076 22.620 -12.377 1.00 0.00 O ATOM 447 CB TRP A 59 14.530 20.745 -9.743 1.00 0.00 C ATOM 448 CG TRP A 59 13.285 20.292 -10.439 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.097 20.936 -10.418 1.00 0.00 C ATOM 450 CD2 TRP A 59 13.092 19.111 -11.270 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.188 20.223 -11.176 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.755 19.092 -11.720 1.00 0.00 C ATOM 453 CE3 TRP A 59 13.941 18.059 -11.674 1.00 0.00 C ATOM 454 CZ2 TRP A 59 11.276 18.073 -12.535 1.00 0.00 C ATOM 455 CZ3 TRP A 59 13.460 17.032 -12.496 1.00 0.00 C ATOM 456 CH2 TRP A 59 12.127 17.042 -12.925 1.00 0.00 C ATOM 0 H TRP A 59 16.899 20.434 -9.159 1.00 0.00 H new ATOM 0 HA TRP A 59 15.524 20.247 -11.605 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.828 20.010 -8.995 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.343 21.680 -9.215 1.00 0.00 H new ATOM 0 HD1 TRP A 59 11.892 21.858 -9.894 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.216 20.500 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 59 14.970 18.046 -11.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.248 18.081 -12.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 14.118 16.231 -12.799 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.759 16.249 -13.559 1.00 0.00 H new ATOM 467 N SER A 60 16.189 23.293 -10.551 1.00 0.00 N ATOM 468 CA SER A 60 16.204 24.692 -10.954 1.00 0.00 C ATOM 469 C SER A 60 16.919 24.859 -12.292 1.00 0.00 C ATOM 470 O SER A 60 16.612 25.771 -13.061 1.00 0.00 O ATOM 471 CB SER A 60 16.909 25.536 -9.891 1.00 0.00 C ATOM 472 OG SER A 60 16.073 25.639 -8.745 1.00 0.00 O ATOM 0 H SER A 60 16.643 23.103 -9.657 1.00 0.00 H new ATOM 0 HA SER A 60 15.173 25.028 -11.061 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.862 25.081 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.130 26.528 -10.285 1.00 0.00 H new ATOM 0 HG SER A 60 16.123 24.808 -8.228 1.00 0.00 H new ATOM 478 N LYS A 61 17.879 23.981 -12.559 1.00 0.00 N ATOM 479 CA LYS A 61 18.639 24.050 -13.802 1.00 0.00 C ATOM 480 C LYS A 61 17.766 23.653 -14.987 1.00 0.00 C ATOM 481 O LYS A 61 18.146 23.847 -16.139 1.00 0.00 O ATOM 482 CB LYS A 61 19.847 23.114 -13.722 1.00 0.00 C ATOM 483 CG LYS A 61 20.756 23.550 -12.571 1.00 0.00 C ATOM 484 CD LYS A 61 21.944 22.588 -12.462 1.00 0.00 C ATOM 485 CE LYS A 61 22.618 22.761 -11.102 1.00 0.00 C ATOM 486 NZ LYS A 61 23.205 24.128 -11.004 1.00 0.00 N1+ ATOM 0 H LYS A 61 18.148 23.219 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 61 18.979 25.076 -13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.515 22.087 -13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.398 23.133 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.112 24.566 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.196 23.560 -11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.605 21.559 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.659 22.784 -13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.892 22.608 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.397 22.010 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.818 24.183 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.766 24.327 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.441 24.829 -10.921 1.00 0.00 H new ATOM 500 N THR A 62 16.602 23.089 -14.694 1.00 0.00 N ATOM 501 CA THR A 62 15.687 22.657 -15.743 1.00 0.00 C ATOM 502 C THR A 62 14.981 23.857 -16.364 1.00 0.00 C ATOM 503 O THR A 62 14.443 23.772 -17.469 1.00 0.00 O ATOM 504 CB THR A 62 14.645 21.692 -15.174 1.00 0.00 C ATOM 505 OG1 THR A 62 13.786 22.392 -14.289 1.00 0.00 O ATOM 506 CG2 THR A 62 15.354 20.565 -14.419 1.00 0.00 C ATOM 0 H THR A 62 16.270 22.920 -13.744 1.00 0.00 H new ATOM 0 HA THR A 62 16.268 22.148 -16.512 1.00 0.00 H new ATOM 0 HB THR A 62 14.057 21.268 -15.988 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.245 22.540 -13.436 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.613 19.877 -14.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.013 20.028 -15.102 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.942 20.987 -13.604 1.00 0.00 H new ATOM 514 N PHE A 63 14.980 24.978 -15.651 1.00 0.00 N ATOM 515 CA PHE A 63 14.331 26.188 -16.138 1.00 0.00 C ATOM 516 C PHE A 63 15.063 27.421 -15.626 1.00 0.00 C ATOM 517 O PHE A 63 15.753 27.371 -14.608 1.00 0.00 O ATOM 518 CB PHE A 63 12.877 26.229 -15.668 1.00 0.00 C ATOM 519 CG PHE A 63 12.829 26.362 -14.165 1.00 0.00 C ATOM 520 CD1 PHE A 63 12.998 27.617 -13.568 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.617 25.232 -13.369 1.00 0.00 C ATOM 522 CE1 PHE A 63 12.957 27.740 -12.175 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.576 25.354 -11.976 1.00 0.00 C ATOM 524 CZ PHE A 63 12.744 26.609 -11.379 1.00 0.00 C ATOM 0 H PHE A 63 15.420 25.073 -14.736 1.00 0.00 H new ATOM 0 HA PHE A 63 14.359 26.181 -17.228 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.358 27.067 -16.133 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.359 25.322 -15.979 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.160 28.490 -14.183 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.485 24.264 -13.830 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.090 28.708 -11.714 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.415 24.481 -11.362 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.709 26.704 -10.304 1.00 0.00 H new ATOM 534 N THR A 64 14.906 28.534 -16.340 1.00 0.00 N ATOM 535 CA THR A 64 15.556 29.787 -15.952 1.00 0.00 C ATOM 536 C THR A 64 14.553 30.926 -15.940 1.00 0.00 C ATOM 537 O THR A 64 13.426 30.780 -16.414 1.00 0.00 O ATOM 538 CB THR A 64 16.686 30.111 -16.931 1.00 0.00 C ATOM 539 OG1 THR A 64 16.209 30.000 -18.262 1.00 0.00 O ATOM 540 CG2 THR A 64 17.849 29.131 -16.717 1.00 0.00 C ATOM 0 H THR A 64 14.338 28.595 -17.185 1.00 0.00 H new ATOM 0 HA THR A 64 15.966 29.668 -14.949 1.00 0.00 H new ATOM 0 HB THR A 64 17.034 31.129 -16.756 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.934 30.210 -18.888 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.653 29.363 -17.415 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.218 29.222 -15.695 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.502 28.112 -16.889 1.00 0.00 H new ATOM 548 N PHE A 65 14.964 32.064 -15.387 1.00 0.00 N ATOM 549 CA PHE A 65 14.086 33.229 -15.317 1.00 0.00 C ATOM 550 C PHE A 65 14.470 34.248 -16.380 1.00 0.00 C ATOM 551 O PHE A 65 15.610 34.707 -16.428 1.00 0.00 O ATOM 552 CB PHE A 65 14.182 33.870 -13.916 1.00 0.00 C ATOM 553 CG PHE A 65 12.792 34.127 -13.375 1.00 0.00 C ATOM 554 CD1 PHE A 65 11.907 33.055 -13.198 1.00 0.00 C ATOM 555 CD2 PHE A 65 12.390 35.428 -13.062 1.00 0.00 C ATOM 556 CE1 PHE A 65 10.621 33.288 -12.709 1.00 0.00 C ATOM 557 CE2 PHE A 65 11.105 35.659 -12.571 1.00 0.00 C ATOM 558 CZ PHE A 65 10.221 34.591 -12.393 1.00 0.00 C ATOM 0 H PHE A 65 15.891 32.204 -14.984 1.00 0.00 H new ATOM 0 HA PHE A 65 13.060 32.907 -15.497 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.729 33.212 -13.241 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.740 34.805 -13.971 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.220 32.050 -13.440 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.073 36.253 -13.200 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.936 32.464 -12.575 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.793 36.664 -12.328 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.227 34.772 -12.011 1.00 0.00 H new ATOM 568 N VAL A 66 13.505 34.610 -17.219 1.00 0.00 N ATOM 569 CA VAL A 66 13.748 35.588 -18.275 1.00 0.00 C ATOM 570 C VAL A 66 12.617 36.611 -18.327 1.00 0.00 C ATOM 571 O VAL A 66 11.442 36.258 -18.247 1.00 0.00 O ATOM 572 CB VAL A 66 13.870 34.873 -19.622 1.00 0.00 C ATOM 573 CG1 VAL A 66 13.863 35.904 -20.753 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.182 34.084 -19.661 1.00 0.00 C ATOM 0 H VAL A 66 12.553 34.244 -17.190 1.00 0.00 H new ATOM 0 HA VAL A 66 14.679 36.113 -18.060 1.00 0.00 H new ATOM 0 HB VAL A 66 13.029 34.191 -19.748 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.950 35.393 -21.712 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.931 36.468 -20.726 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.704 36.587 -20.628 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.271 33.574 -20.620 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.022 34.768 -19.534 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.188 33.349 -18.857 1.00 0.00 H new ATOM 584 N ARG A 67 12.984 37.881 -18.475 1.00 0.00 N ATOM 585 CA ARG A 67 11.992 38.945 -18.550 1.00 0.00 C ATOM 586 C ARG A 67 11.017 38.849 -17.384 1.00 0.00 C ATOM 587 O ARG A 67 9.896 39.353 -17.455 1.00 0.00 O ATOM 588 CB ARG A 67 11.221 38.852 -19.871 1.00 0.00 C ATOM 589 CG ARG A 67 12.155 39.197 -21.033 1.00 0.00 C ATOM 590 CD ARG A 67 11.427 38.962 -22.357 1.00 0.00 C ATOM 591 NE ARG A 67 10.277 39.853 -22.469 1.00 0.00 N ATOM 592 CZ ARG A 67 9.430 39.757 -23.489 1.00 0.00 C ATOM 593 NH1 ARG A 67 9.620 38.856 -24.413 1.00 0.00 N ATOM 594 NH2 ARG A 67 8.408 40.564 -23.565 1.00 0.00 N1+ ATOM 0 H ARG A 67 13.952 38.195 -18.545 1.00 0.00 H new ATOM 0 HA ARG A 67 12.510 39.903 -18.500 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.819 37.847 -20.000 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.372 39.536 -19.858 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.475 40.237 -20.961 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.054 38.583 -20.986 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.109 39.132 -23.190 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.099 37.924 -22.420 1.00 0.00 H new ATOM 0 HE ARG A 67 10.120 40.562 -21.752 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.419 38.225 -24.353 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.970 38.783 -25.195 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.259 41.268 -22.842 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.758 40.491 -24.347 1.00 0.00 H new ATOM 608 N GLY A 68 11.455 38.204 -16.306 1.00 0.00 N ATOM 609 CA GLY A 68 10.614 38.057 -15.126 1.00 0.00 C ATOM 610 C GLY A 68 9.567 36.974 -15.335 1.00 0.00 C ATOM 611 O GLY A 68 8.506 36.992 -14.708 1.00 0.00 O ATOM 0 H GLY A 68 12.379 37.779 -16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.232 37.809 -14.263 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.123 39.005 -14.904 1.00 0.00 H new ATOM 615 N ARG A 69 9.864 36.031 -16.226 1.00 0.00 N ATOM 616 CA ARG A 69 8.931 34.939 -16.513 1.00 0.00 C ATOM 617 C ARG A 69 9.670 33.607 -16.573 1.00 0.00 C ATOM 618 O ARG A 69 10.725 33.497 -17.198 1.00 0.00 O ATOM 619 CB ARG A 69 8.230 35.194 -17.847 1.00 0.00 C ATOM 620 CG ARG A 69 7.463 36.514 -17.776 1.00 0.00 C ATOM 621 CD ARG A 69 6.702 36.734 -19.086 1.00 0.00 C ATOM 622 NE ARG A 69 6.018 38.022 -19.062 1.00 0.00 N ATOM 623 CZ ARG A 69 5.030 38.289 -19.908 1.00 0.00 C ATOM 624 NH1 ARG A 69 4.652 37.393 -20.778 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.434 39.450 -19.870 1.00 0.00 N1+ ATOM 0 H ARG A 69 10.734 35.998 -16.758 1.00 0.00 H new ATOM 0 HA ARG A 69 8.191 34.896 -15.714 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.962 35.230 -18.654 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.546 34.376 -18.073 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.767 36.498 -16.937 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.154 37.339 -17.601 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.394 36.697 -19.927 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.978 35.932 -19.233 1.00 0.00 H new ATOM 0 HE ARG A 69 6.303 38.729 -18.384 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.116 36.485 -20.809 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.893 37.601 -21.427 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.727 40.152 -19.190 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.675 39.655 -20.520 1.00 0.00 H new ATOM 639 N THR A 70 9.112 32.599 -15.912 1.00 0.00 N ATOM 640 CA THR A 70 9.730 31.278 -15.891 1.00 0.00 C ATOM 641 C THR A 70 9.830 30.722 -17.304 1.00 0.00 C ATOM 642 O THR A 70 8.846 30.692 -18.044 1.00 0.00 O ATOM 643 CB THR A 70 8.900 30.326 -15.027 1.00 0.00 C ATOM 644 OG1 THR A 70 8.620 30.945 -13.779 1.00 0.00 O ATOM 645 CG2 THR A 70 9.683 29.032 -14.790 1.00 0.00 C ATOM 0 H THR A 70 8.240 32.670 -15.388 1.00 0.00 H new ATOM 0 HA THR A 70 10.731 31.369 -15.470 1.00 0.00 H new ATOM 0 HB THR A 70 7.966 30.094 -15.538 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.087 30.337 -13.225 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.090 28.355 -14.174 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.899 28.557 -15.747 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.618 29.261 -14.280 1.00 0.00 H new ATOM 653 N VAL A 71 11.027 30.276 -17.677 1.00 0.00 N ATOM 654 CA VAL A 71 11.247 29.715 -19.012 1.00 0.00 C ATOM 655 C VAL A 71 12.100 28.457 -18.928 1.00 0.00 C ATOM 656 O VAL A 71 12.899 28.298 -18.009 1.00 0.00 O ATOM 657 CB VAL A 71 11.940 30.748 -19.900 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.972 31.891 -20.207 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.168 31.303 -19.174 1.00 0.00 C ATOM 0 H VAL A 71 11.855 30.291 -17.081 1.00 0.00 H new ATOM 0 HA VAL A 71 10.280 29.455 -19.444 1.00 0.00 H new ATOM 0 HB VAL A 71 12.250 30.275 -20.832 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.467 32.627 -20.840 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.097 31.498 -20.724 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.661 32.364 -19.276 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.663 32.040 -19.807 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.857 31.775 -18.242 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.860 30.490 -18.955 1.00 0.00 H new ATOM 669 N SER A 72 11.927 27.567 -19.901 1.00 0.00 N ATOM 670 CA SER A 72 12.690 26.323 -19.931 1.00 0.00 C ATOM 671 C SER A 72 14.029 26.529 -20.632 1.00 0.00 C ATOM 672 O SER A 72 14.102 27.191 -21.666 1.00 0.00 O ATOM 673 CB SER A 72 11.894 25.241 -20.655 1.00 0.00 C ATOM 674 OG SER A 72 12.456 23.967 -20.364 1.00 0.00 O ATOM 0 H SER A 72 11.271 27.682 -20.673 1.00 0.00 H new ATOM 0 HA SER A 72 12.877 26.010 -18.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.850 25.271 -20.342 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.909 25.421 -21.730 1.00 0.00 H new ATOM 0 HG SER A 72 11.945 23.271 -20.827 1.00 0.00 H new ATOM 680 N VAL A 73 15.084 25.953 -20.063 1.00 0.00 N ATOM 681 CA VAL A 73 16.414 26.079 -20.643 1.00 0.00 C ATOM 682 C VAL A 73 16.445 25.484 -22.049 1.00 0.00 C ATOM 683 O VAL A 73 15.653 24.596 -22.375 1.00 0.00 O ATOM 684 CB VAL A 73 17.440 25.366 -19.766 1.00 0.00 C ATOM 685 CG1 VAL A 73 18.853 25.686 -20.261 1.00 0.00 C ATOM 686 CG2 VAL A 73 17.290 25.842 -18.321 1.00 0.00 C ATOM 0 H VAL A 73 15.043 25.399 -19.208 1.00 0.00 H new ATOM 0 HA VAL A 73 16.662 27.139 -20.701 1.00 0.00 H new ATOM 0 HB VAL A 73 17.274 24.290 -19.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 19.583 25.175 -19.633 1.00 0.00 H new ATOM 0 HG12 VAL A 73 18.962 25.349 -21.292 1.00 0.00 H new ATOM 0 HG13 VAL A 73 19.021 26.762 -20.211 1.00 0.00 H new ATOM 0 HG21 VAL A 73 18.022 25.334 -17.693 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.456 26.918 -18.273 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.285 25.613 -17.965 1.00 0.00 H new ATOM 696 N SER A 74 17.362 25.972 -22.876 1.00 0.00 N ATOM 697 CA SER A 74 17.485 25.478 -24.243 1.00 0.00 C ATOM 698 C SER A 74 17.827 23.993 -24.248 1.00 0.00 C ATOM 699 O SER A 74 17.290 23.224 -25.045 1.00 0.00 O ATOM 700 CB SER A 74 18.573 26.255 -24.983 1.00 0.00 C ATOM 701 OG SER A 74 18.150 27.599 -25.163 1.00 0.00 O ATOM 0 H SER A 74 18.027 26.704 -22.627 1.00 0.00 H new ATOM 0 HA SER A 74 16.529 25.621 -24.747 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.504 26.227 -24.417 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.773 25.792 -25.949 1.00 0.00 H new ATOM 0 HG SER A 74 18.847 28.101 -25.636 1.00 0.00 H new ATOM 707 N ASP A 75 18.729 23.594 -23.356 1.00 0.00 N ATOM 708 CA ASP A 75 19.142 22.194 -23.270 1.00 0.00 C ATOM 709 C ASP A 75 19.544 21.844 -21.838 1.00 0.00 C ATOM 710 O ASP A 75 20.730 21.802 -21.510 1.00 0.00 O ATOM 711 CB ASP A 75 20.313 21.936 -24.210 1.00 0.00 C ATOM 712 CG ASP A 75 20.664 20.451 -24.204 1.00 0.00 C ATOM 713 OD1 ASP A 75 19.817 19.661 -23.817 1.00 0.00 O ATOM 714 OD2 ASP A 75 21.774 20.125 -24.588 1.00 0.00 O1- ATOM 0 H ASP A 75 19.186 24.214 -22.687 1.00 0.00 H new ATOM 0 HA ASP A 75 18.301 21.566 -23.564 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.057 22.254 -25.221 1.00 0.00 H new ATOM 0 HB3 ASP A 75 21.177 22.524 -23.900 1.00 0.00 H new ATOM 719 N PRO A 76 18.582 21.600 -20.985 1.00 0.00 N ATOM 720 CA PRO A 76 18.839 21.256 -19.561 1.00 0.00 C ATOM 721 C PRO A 76 19.289 19.810 -19.398 1.00 0.00 C ATOM 722 O PRO A 76 18.545 18.882 -19.711 1.00 0.00 O ATOM 723 CB PRO A 76 17.483 21.486 -18.882 1.00 0.00 C ATOM 724 CG PRO A 76 16.457 21.304 -19.963 1.00 0.00 C ATOM 725 CD PRO A 76 17.142 21.630 -21.296 1.00 0.00 C ATOM 0 HA PRO A 76 19.642 21.855 -19.131 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.326 20.777 -18.069 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.425 22.485 -18.450 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.077 20.282 -19.965 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.603 21.961 -19.798 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.886 20.900 -22.063 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.837 22.607 -21.671 1.00 0.00 H new ATOM 733 N LYS A 77 20.502 19.627 -18.886 1.00 0.00 N ATOM 734 CA LYS A 77 21.039 18.284 -18.662 1.00 0.00 C ATOM 735 C LYS A 77 21.470 18.123 -17.211 1.00 0.00 C ATOM 736 O LYS A 77 22.264 18.911 -16.696 1.00 0.00 O ATOM 737 CB LYS A 77 22.230 18.044 -19.584 1.00 0.00 C ATOM 738 CG LYS A 77 21.742 17.958 -21.033 1.00 0.00 C ATOM 739 CD LYS A 77 22.947 17.848 -21.975 1.00 0.00 C ATOM 740 CE LYS A 77 23.502 16.421 -21.941 1.00 0.00 C ATOM 741 NZ LYS A 77 24.488 16.246 -23.038 1.00 0.00 N1+ ATOM 0 H LYS A 77 21.130 20.385 -18.619 1.00 0.00 H new ATOM 0 HA LYS A 77 20.260 17.553 -18.881 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.953 18.853 -19.480 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.740 17.122 -19.305 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.090 17.093 -21.157 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.152 18.840 -21.282 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.651 18.109 -22.991 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.720 18.556 -21.676 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.975 16.226 -20.978 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.691 15.701 -22.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.865 15.277 -23.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 24.023 16.415 -23.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.267 16.924 -22.916 1.00 0.00 H new ATOM 755 N VAL A 78 20.949 17.088 -16.556 1.00 0.00 N ATOM 756 CA VAL A 78 21.290 16.826 -15.161 1.00 0.00 C ATOM 757 C VAL A 78 21.192 15.337 -14.861 1.00 0.00 C ATOM 758 O VAL A 78 20.369 14.628 -15.436 1.00 0.00 O ATOM 759 CB VAL A 78 20.344 17.607 -14.241 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.771 19.075 -14.190 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.917 17.516 -14.787 1.00 0.00 C ATOM 0 H VAL A 78 20.294 16.422 -16.965 1.00 0.00 H new ATOM 0 HA VAL A 78 22.315 17.150 -14.983 1.00 0.00 H new ATOM 0 HB VAL A 78 20.383 17.182 -13.238 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.097 19.627 -13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.788 19.145 -13.805 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.732 19.500 -15.193 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.242 18.070 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.883 17.941 -15.790 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.608 16.471 -14.825 1.00 0.00 H new ATOM 771 N ILE A 79 22.035 14.868 -13.950 1.00 0.00 N ATOM 772 CA ILE A 79 22.039 13.457 -13.576 1.00 0.00 C ATOM 773 C ILE A 79 21.165 13.218 -12.347 1.00 0.00 C ATOM 774 O ILE A 79 21.326 13.874 -11.319 1.00 0.00 O ATOM 775 CB ILE A 79 23.469 13.003 -13.279 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.468 11.519 -12.886 1.00 0.00 C ATOM 777 CG2 ILE A 79 24.047 13.829 -12.136 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.887 11.080 -12.535 1.00 0.00 C ATOM 0 H ILE A 79 22.722 15.439 -13.458 1.00 0.00 H new ATOM 0 HA ILE A 79 21.635 12.881 -14.409 1.00 0.00 H new ATOM 0 HB ILE A 79 24.080 13.143 -14.171 1.00 0.00 H new ATOM 0 HG12 ILE A 79 22.806 11.358 -12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.083 10.915 -13.708 1.00 0.00 H new ATOM 0 HG21 ILE A 79 25.066 13.501 -11.929 1.00 0.00 H new ATOM 0 HG22 ILE A 79 24.055 14.882 -12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.435 13.695 -11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 79 24.883 10.026 -12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.537 11.225 -13.398 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.256 11.675 -11.699 1.00 0.00 H new ATOM 790 N CYS A 80 20.243 12.269 -12.463 1.00 0.00 N ATOM 791 CA CYS A 80 19.357 11.944 -11.354 1.00 0.00 C ATOM 792 C CYS A 80 20.150 11.374 -10.180 1.00 0.00 C ATOM 793 O CYS A 80 21.280 10.920 -10.346 1.00 0.00 O ATOM 794 CB CYS A 80 18.306 10.924 -11.808 1.00 0.00 C ATOM 795 SG CYS A 80 19.036 9.270 -11.887 1.00 0.00 S ATOM 0 H CYS A 80 20.091 11.716 -13.306 1.00 0.00 H new ATOM 0 HA CYS A 80 18.861 12.859 -11.030 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.464 10.925 -11.116 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.915 11.204 -12.786 1.00 0.00 H new ATOM 0 HG CYS A 80 18.538 8.624 -12.899 1.00 0.00 H new ATOM 800 N ARG A 81 19.543 11.392 -9.001 1.00 0.00 N ATOM 801 CA ARG A 81 20.201 10.864 -7.808 1.00 0.00 C ATOM 802 C ARG A 81 20.379 9.348 -7.917 1.00 0.00 C ATOM 803 O ARG A 81 21.407 8.804 -7.521 1.00 0.00 O ATOM 804 CB ARG A 81 19.376 11.203 -6.564 1.00 0.00 C ATOM 805 CG ARG A 81 19.293 12.722 -6.405 1.00 0.00 C ATOM 806 CD ARG A 81 18.422 13.059 -5.196 1.00 0.00 C ATOM 807 NE ARG A 81 19.060 12.596 -3.970 1.00 0.00 N ATOM 808 CZ ARG A 81 18.437 12.674 -2.798 1.00 0.00 C ATOM 809 NH1 ARG A 81 17.233 13.170 -2.732 1.00 0.00 N ATOM 810 NH2 ARG A 81 19.031 12.254 -1.715 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.606 11.762 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 81 21.186 11.324 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.375 10.781 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.833 10.759 -5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 81 20.291 13.140 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.874 13.171 -7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.259 14.136 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.443 12.593 -5.303 1.00 0.00 H new ATOM 0 HE ARG A 81 20.001 12.205 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.769 13.498 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.755 13.230 -1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.973 11.866 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.554 12.314 -0.816 1.00 0.00 H new ATOM 824 N THR A 82 19.368 8.687 -8.455 1.00 0.00 N ATOM 825 CA THR A 82 19.408 7.234 -8.618 1.00 0.00 C ATOM 826 C THR A 82 20.674 6.826 -9.368 1.00 0.00 C ATOM 827 O THR A 82 21.312 5.829 -9.034 1.00 0.00 O ATOM 828 CB THR A 82 18.180 6.745 -9.382 1.00 0.00 C ATOM 829 OG1 THR A 82 17.016 7.319 -8.809 1.00 0.00 O ATOM 830 CG2 THR A 82 18.099 5.223 -9.304 1.00 0.00 C ATOM 0 H THR A 82 18.510 9.127 -8.787 1.00 0.00 H new ATOM 0 HA THR A 82 19.411 6.778 -7.628 1.00 0.00 H new ATOM 0 HB THR A 82 18.256 7.043 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.266 6.695 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.222 4.877 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.996 4.788 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.022 4.916 -8.261 1.00 0.00 H new ATOM 838 N CYS A 83 21.034 7.610 -10.378 1.00 0.00 N ATOM 839 CA CYS A 83 22.228 7.324 -11.166 1.00 0.00 C ATOM 840 C CYS A 83 23.487 7.577 -10.347 1.00 0.00 C ATOM 841 O CYS A 83 24.581 7.707 -10.898 1.00 0.00 O ATOM 842 CB CYS A 83 22.245 8.202 -12.425 1.00 0.00 C ATOM 843 SG CYS A 83 21.358 7.368 -13.759 1.00 0.00 S ATOM 0 H CYS A 83 20.521 8.442 -10.669 1.00 0.00 H new ATOM 0 HA CYS A 83 22.206 6.273 -11.456 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.782 9.166 -12.214 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.273 8.401 -12.727 1.00 0.00 H new ATOM 0 HG CYS A 83 20.084 7.603 -13.647 1.00 0.00 H new ATOM 947 N SER A 90 35.086 -2.437 -5.237 1.00 0.00 N ATOM 948 CA SER A 90 36.147 -3.295 -4.709 1.00 0.00 C ATOM 949 C SER A 90 36.023 -4.702 -5.269 1.00 0.00 C ATOM 950 O SER A 90 34.975 -5.079 -5.794 1.00 0.00 O ATOM 951 CB SER A 90 36.068 -3.347 -3.185 1.00 0.00 C ATOM 952 OG SER A 90 34.868 -4.003 -2.798 1.00 0.00 O ATOM 0 HA SER A 90 37.108 -2.877 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 90 36.931 -3.877 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 90 36.093 -2.338 -2.774 1.00 0.00 H new ATOM 0 HG SER A 90 34.197 -3.902 -3.505 1.00 0.00 H new ATOM 958 N ILE A 91 37.104 -5.476 -5.165 1.00 0.00 N ATOM 959 CA ILE A 91 37.111 -6.847 -5.674 1.00 0.00 C ATOM 960 C ILE A 91 37.352 -7.833 -4.546 1.00 0.00 C ATOM 961 O ILE A 91 38.266 -7.661 -3.742 1.00 0.00 O ATOM 962 CB ILE A 91 38.203 -7.002 -6.736 1.00 0.00 C ATOM 963 CG1 ILE A 91 37.978 -5.978 -7.862 1.00 0.00 C ATOM 964 CG2 ILE A 91 38.155 -8.419 -7.316 1.00 0.00 C ATOM 965 CD1 ILE A 91 36.968 -6.527 -8.878 1.00 0.00 C ATOM 0 H ILE A 91 37.980 -5.179 -4.736 1.00 0.00 H new ATOM 0 HA ILE A 91 36.139 -7.056 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 91 39.178 -6.829 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 91 37.612 -5.040 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 91 38.923 -5.758 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 91 38.932 -8.529 -8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 91 38.319 -9.144 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 91 37.180 -8.593 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 91 36.815 -5.795 -9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 91 37.351 -7.453 -9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 91 36.019 -6.724 -8.378 1.00 0.00 H new ATOM 977 N TRP A 92 36.525 -8.872 -4.493 1.00 0.00 N ATOM 978 CA TRP A 92 36.659 -9.886 -3.457 1.00 0.00 C ATOM 979 C TRP A 92 37.763 -10.879 -3.818 1.00 0.00 C ATOM 980 O TRP A 92 37.618 -11.669 -4.750 1.00 0.00 O ATOM 981 CB TRP A 92 35.332 -10.632 -3.277 1.00 0.00 C ATOM 982 CG TRP A 92 35.540 -11.834 -2.407 1.00 0.00 C ATOM 983 CD1 TRP A 92 36.490 -11.945 -1.449 1.00 0.00 C ATOM 984 CD2 TRP A 92 34.815 -13.095 -2.410 1.00 0.00 C ATOM 985 NE1 TRP A 92 36.394 -13.187 -0.862 1.00 0.00 N ATOM 986 CE2 TRP A 92 35.373 -13.935 -1.418 1.00 0.00 C ATOM 987 CE3 TRP A 92 33.737 -13.585 -3.167 1.00 0.00 C ATOM 988 CZ2 TRP A 92 34.879 -15.218 -1.186 1.00 0.00 C ATOM 989 CZ3 TRP A 92 33.236 -14.877 -2.937 1.00 0.00 C ATOM 990 CH2 TRP A 92 33.805 -15.690 -1.946 1.00 0.00 C ATOM 0 H TRP A 92 35.761 -9.032 -5.150 1.00 0.00 H new ATOM 0 HA TRP A 92 36.924 -9.391 -2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 92 34.590 -9.971 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 92 34.941 -10.937 -4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 92 37.208 -11.182 -1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 92 37.001 -13.514 -0.110 1.00 0.00 H new ATOM 0 HE3 TRP A 92 33.291 -12.964 -3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 35.323 -15.842 -0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 32.409 -15.246 -3.526 1.00 0.00 H new ATOM 0 HH2 TRP A 92 33.413 -16.681 -1.770 1.00 0.00 H new ATOM 1001 N CYS A 93 38.855 -10.837 -3.067 1.00 0.00 N ATOM 1002 CA CYS A 93 39.979 -11.742 -3.309 1.00 0.00 C ATOM 1003 C CYS A 93 39.810 -13.055 -2.556 1.00 0.00 C ATOM 1004 O CYS A 93 39.548 -13.064 -1.352 1.00 0.00 O ATOM 1005 CB CYS A 93 41.282 -11.089 -2.862 1.00 0.00 C ATOM 1006 SG CYS A 93 42.660 -12.213 -3.201 1.00 0.00 S ATOM 0 H CYS A 93 38.990 -10.192 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 93 40.006 -11.949 -4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 93 41.429 -10.146 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 93 41.240 -10.857 -1.798 1.00 0.00 H new ATOM 0 HG CYS A 93 43.658 -11.923 -2.420 1.00 0.00 H new ATOM 1011 N THR A 94 39.981 -14.166 -3.267 1.00 0.00 N ATOM 1012 CA THR A 94 39.865 -15.485 -2.647 1.00 0.00 C ATOM 1013 C THR A 94 41.236 -15.977 -2.190 1.00 0.00 C ATOM 1014 O THR A 94 41.343 -16.980 -1.485 1.00 0.00 O ATOM 1015 CB THR A 94 39.273 -16.481 -3.643 1.00 0.00 C ATOM 1016 OG1 THR A 94 40.309 -16.993 -4.471 1.00 0.00 O ATOM 1017 CG2 THR A 94 38.225 -15.782 -4.507 1.00 0.00 C ATOM 0 H THR A 94 40.198 -14.182 -4.263 1.00 0.00 H new ATOM 0 HA THR A 94 39.207 -15.405 -1.781 1.00 0.00 H new ATOM 0 HB THR A 94 38.802 -17.301 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 94 39.931 -17.633 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 94 37.804 -16.495 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 94 37.431 -15.391 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 94 38.691 -14.960 -5.051 1.00 0.00 H new ATOM 1025 N ALA A 95 42.281 -15.255 -2.585 1.00 0.00 N ATOM 1026 CA ALA A 95 43.644 -15.622 -2.200 1.00 0.00 C ATOM 1027 C ALA A 95 44.010 -14.986 -0.866 1.00 0.00 C ATOM 1028 O ALA A 95 44.705 -15.590 -0.048 1.00 0.00 O ATOM 1029 CB ALA A 95 44.633 -15.166 -3.273 1.00 0.00 C ATOM 0 H ALA A 95 42.214 -14.420 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 95 43.694 -16.706 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 95 45.645 -15.444 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 95 44.388 -15.645 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 95 44.573 -14.084 -3.387 1.00 0.00 H new ATOM 1035 N CYS A 96 43.533 -13.761 -0.644 1.00 0.00 N ATOM 1036 CA CYS A 96 43.811 -13.052 0.603 1.00 0.00 C ATOM 1037 C CYS A 96 42.640 -13.184 1.565 1.00 0.00 C ATOM 1038 O CYS A 96 42.817 -13.103 2.778 1.00 0.00 O ATOM 1039 CB CYS A 96 44.078 -11.572 0.314 1.00 0.00 C ATOM 1040 SG CYS A 96 45.471 -11.417 -0.831 1.00 0.00 S ATOM 0 H CYS A 96 42.956 -13.243 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 96 44.694 -13.495 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 96 43.189 -11.109 -0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 96 44.297 -11.044 1.242 1.00 0.00 H new ATOM 0 HG CYS A 96 45.153 -10.604 -1.794 1.00 0.00 H new ATOM 1045 N GLN A 97 41.445 -13.375 1.014 1.00 0.00 N ATOM 1046 CA GLN A 97 40.243 -13.513 1.829 1.00 0.00 C ATOM 1047 C GLN A 97 39.868 -12.171 2.454 1.00 0.00 C ATOM 1048 O GLN A 97 39.379 -12.112 3.583 1.00 0.00 O ATOM 1049 CB GLN A 97 40.477 -14.548 2.936 1.00 0.00 C ATOM 1050 CG GLN A 97 39.134 -15.079 3.437 1.00 0.00 C ATOM 1051 CD GLN A 97 39.360 -16.129 4.516 1.00 0.00 C ATOM 1052 OE1 GLN A 97 40.459 -16.672 4.634 1.00 0.00 O ATOM 1053 NE2 GLN A 97 38.380 -16.451 5.313 1.00 0.00 N ATOM 0 H GLN A 97 41.284 -13.438 0.009 1.00 0.00 H new ATOM 0 HA GLN A 97 39.426 -13.847 1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 97 41.085 -15.369 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 97 41.030 -14.096 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 97 38.535 -14.260 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 97 38.573 -15.511 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 97 37.471 -15.999 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 97 38.522 -17.155 6.037 1.00 0.00 H new ATOM 1062 N GLN A 98 40.103 -11.092 1.716 1.00 0.00 N ATOM 1063 CA GLN A 98 39.781 -9.755 2.208 1.00 0.00 C ATOM 1064 C GLN A 98 39.341 -8.854 1.058 1.00 0.00 C ATOM 1065 O GLN A 98 39.614 -9.142 -0.106 1.00 0.00 O ATOM 1066 CB GLN A 98 41.000 -9.150 2.910 1.00 0.00 C ATOM 1067 CG GLN A 98 40.634 -7.778 3.480 1.00 0.00 C ATOM 1068 CD GLN A 98 41.733 -7.291 4.412 1.00 0.00 C ATOM 1069 OE1 GLN A 98 42.571 -8.080 4.851 1.00 0.00 O ATOM 1070 NE2 GLN A 98 41.780 -6.032 4.749 1.00 0.00 N ATOM 0 H GLN A 98 40.512 -11.114 0.782 1.00 0.00 H new ATOM 0 HA GLN A 98 38.960 -9.834 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 98 41.336 -9.810 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 98 41.827 -9.054 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 98 40.491 -7.064 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 98 39.689 -7.840 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 98 41.085 -5.380 4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 98 42.512 -5.699 5.377 1.00 0.00 H new ATOM 1079 N THR A 99 38.666 -7.762 1.396 1.00 0.00 N ATOM 1080 CA THR A 99 38.200 -6.819 0.387 1.00 0.00 C ATOM 1081 C THR A 99 39.332 -5.906 -0.064 1.00 0.00 C ATOM 1082 O THR A 99 40.135 -5.444 0.749 1.00 0.00 O ATOM 1083 CB THR A 99 37.055 -5.974 0.948 1.00 0.00 C ATOM 1084 OG1 THR A 99 36.012 -6.832 1.386 1.00 0.00 O ATOM 1085 CG2 THR A 99 36.530 -5.037 -0.139 1.00 0.00 C ATOM 0 H THR A 99 38.430 -7.508 2.355 1.00 0.00 H new ATOM 0 HA THR A 99 37.846 -7.388 -0.472 1.00 0.00 H new ATOM 0 HB THR A 99 37.415 -5.380 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 99 35.277 -6.295 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 99 35.714 -4.436 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 99 37.334 -4.381 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 99 36.167 -5.625 -0.982 1.00 0.00 H new ATOM 1093 N LYS A 100 39.398 -5.648 -1.369 1.00 0.00 N ATOM 1094 CA LYS A 100 40.439 -4.786 -1.919 1.00 0.00 C ATOM 1095 C LYS A 100 39.883 -3.926 -3.047 1.00 0.00 C ATOM 1096 O LYS A 100 39.001 -4.352 -3.786 1.00 0.00 O ATOM 1097 CB LYS A 100 41.593 -5.639 -2.445 1.00 0.00 C ATOM 1098 CG LYS A 100 42.829 -4.758 -2.661 1.00 0.00 C ATOM 1099 CD LYS A 100 43.446 -4.379 -1.302 1.00 0.00 C ATOM 1100 CE LYS A 100 44.921 -4.041 -1.487 1.00 0.00 C ATOM 1101 NZ LYS A 100 45.415 -3.325 -0.278 1.00 0.00 N1+ ATOM 0 H LYS A 100 38.747 -6.021 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 100 40.801 -4.131 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 41.821 -6.436 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 100 41.307 -6.117 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 100 43.563 -5.288 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 100 42.553 -3.857 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 100 42.918 -3.526 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 100 43.337 -5.205 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 100 45.498 -4.952 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 100 45.056 -3.420 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 46.421 -3.092 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 44.870 -2.449 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 45.299 -3.933 0.557 1.00 0.00 H new ATOM 1115 N GLY A 101 40.411 -2.712 -3.177 1.00 0.00 N ATOM 1116 CA GLY A 101 39.958 -1.802 -4.222 1.00 0.00 C ATOM 1117 C GLY A 101 40.307 -2.342 -5.604 1.00 0.00 C ATOM 1118 O GLY A 101 41.110 -3.264 -5.738 1.00 0.00 O ATOM 0 H GLY A 101 41.147 -2.339 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 101 38.880 -1.661 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 101 40.419 -0.824 -4.083 1.00 0.00 H new ATOM 1122 N ILE A 102 39.700 -1.758 -6.630 1.00 0.00 N ATOM 1123 CA ILE A 102 39.952 -2.181 -8.001 1.00 0.00 C ATOM 1124 C ILE A 102 41.249 -1.574 -8.526 1.00 0.00 C ATOM 1125 O ILE A 102 41.794 -2.020 -9.534 1.00 0.00 O ATOM 1126 CB ILE A 102 38.788 -1.768 -8.903 1.00 0.00 C ATOM 1127 CG1 ILE A 102 38.539 -0.268 -8.755 1.00 0.00 C ATOM 1128 CG2 ILE A 102 37.523 -2.545 -8.498 1.00 0.00 C ATOM 1129 CD1 ILE A 102 37.515 0.182 -9.801 1.00 0.00 C ATOM 0 H ILE A 102 39.032 -0.993 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 102 40.047 -3.267 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 102 39.033 -1.994 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 102 38.173 -0.046 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 102 39.472 0.281 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 102 36.694 -2.250 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 102 37.703 -3.615 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 102 37.275 -2.321 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 102 37.335 1.252 -9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 102 37.899 -0.027 -10.800 1.00 0.00 H new ATOM 0 HD13 ILE A 102 36.580 -0.359 -9.651 1.00 0.00 H new ATOM 1141 N ASN A 103 41.727 -0.542 -7.839 1.00 0.00 N ATOM 1142 CA ASN A 103 42.951 0.134 -8.252 1.00 0.00 C ATOM 1143 C ASN A 103 44.140 -0.818 -8.181 1.00 0.00 C ATOM 1144 O ASN A 103 44.986 -0.836 -9.074 1.00 0.00 O ATOM 1145 CB ASN A 103 43.211 1.340 -7.347 1.00 0.00 C ATOM 1146 CG ASN A 103 42.160 2.416 -7.600 1.00 0.00 C ATOM 1147 OD1 ASN A 103 41.794 2.672 -8.747 1.00 0.00 O ATOM 1148 ND2 ASN A 103 41.649 3.066 -6.590 1.00 0.00 N ATOM 0 H ASN A 103 41.290 -0.158 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 103 42.828 0.469 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 103 43.185 1.033 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 103 44.207 1.740 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 103 40.946 3.787 -6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 103 41.953 2.853 -5.640 1.00 0.00 H new ATOM 1155 N GLU A 104 44.197 -1.608 -7.115 1.00 0.00 N ATOM 1156 CA GLU A 104 45.289 -2.561 -6.937 1.00 0.00 C ATOM 1157 C GLU A 104 44.995 -3.856 -7.673 1.00 0.00 C ATOM 1158 O GLU A 104 45.546 -4.906 -7.343 1.00 0.00 O ATOM 1159 CB GLU A 104 45.490 -2.852 -5.449 1.00 0.00 C ATOM 1160 CG GLU A 104 45.993 -1.591 -4.743 1.00 0.00 C ATOM 1161 CD GLU A 104 47.381 -1.222 -5.255 1.00 0.00 C ATOM 1162 OE1 GLU A 104 48.234 -2.095 -5.279 1.00 0.00 O ATOM 1163 OE2 GLU A 104 47.570 -0.075 -5.625 1.00 0.00 O1- ATOM 0 H GLU A 104 43.506 -1.609 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 104 46.198 -2.123 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 104 44.552 -3.181 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 104 46.206 -3.663 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 104 45.301 -0.767 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 104 46.026 -1.756 -3.666 1.00 0.00 H new ATOM 1170 N PHE A 105 44.121 -3.780 -8.672 1.00 0.00 N ATOM 1171 CA PHE A 105 43.758 -4.962 -9.461 1.00 0.00 C ATOM 1172 C PHE A 105 43.958 -4.699 -10.946 1.00 0.00 C ATOM 1173 O PHE A 105 43.592 -3.644 -11.458 1.00 0.00 O ATOM 1174 CB PHE A 105 42.290 -5.332 -9.191 1.00 0.00 C ATOM 1175 CG PHE A 105 42.210 -6.383 -8.106 1.00 0.00 C ATOM 1176 CD1 PHE A 105 42.664 -6.097 -6.815 1.00 0.00 C ATOM 1177 CD2 PHE A 105 41.692 -7.649 -8.400 1.00 0.00 C ATOM 1178 CE1 PHE A 105 42.602 -7.072 -5.824 1.00 0.00 C ATOM 1179 CE2 PHE A 105 41.632 -8.627 -7.407 1.00 0.00 C ATOM 1180 CZ PHE A 105 42.084 -8.337 -6.116 1.00 0.00 C ATOM 0 H PHE A 105 43.651 -2.920 -8.956 1.00 0.00 H new ATOM 0 HA PHE A 105 44.403 -5.790 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 105 41.733 -4.445 -8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 105 41.827 -5.705 -10.104 1.00 0.00 H new ATOM 0 HD1 PHE A 105 43.063 -5.120 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 105 41.338 -7.869 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 105 42.955 -6.851 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 105 41.237 -9.606 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 105 42.033 -9.091 -5.344 1.00 0.00 H new ATOM 1190 N SER A 106 44.531 -5.681 -11.635 1.00 0.00 N ATOM 1191 CA SER A 106 44.769 -5.555 -13.066 1.00 0.00 C ATOM 1192 C SER A 106 43.465 -5.733 -13.839 1.00 0.00 C ATOM 1193 O SER A 106 42.460 -6.175 -13.286 1.00 0.00 O ATOM 1194 CB SER A 106 45.782 -6.603 -13.527 1.00 0.00 C ATOM 1195 OG SER A 106 45.097 -7.806 -13.842 1.00 0.00 O ATOM 0 H SER A 106 44.836 -6.565 -11.228 1.00 0.00 H new ATOM 0 HA SER A 106 45.167 -4.559 -13.262 1.00 0.00 H new ATOM 0 HB2 SER A 106 46.326 -6.241 -14.399 1.00 0.00 H new ATOM 0 HB3 SER A 106 46.518 -6.784 -12.744 1.00 0.00 H new ATOM 0 HG SER A 106 45.742 -8.481 -14.140 1.00 0.00 H new ATOM 1201 N LYS A 107 43.491 -5.384 -15.120 1.00 0.00 N ATOM 1202 CA LYS A 107 42.304 -5.507 -15.959 1.00 0.00 C ATOM 1203 C LYS A 107 41.881 -6.966 -16.085 1.00 0.00 C ATOM 1204 O LYS A 107 40.692 -7.283 -16.061 1.00 0.00 O ATOM 1205 CB LYS A 107 42.586 -4.930 -17.346 1.00 0.00 C ATOM 1206 CG LYS A 107 41.290 -4.905 -18.162 1.00 0.00 C ATOM 1207 CD LYS A 107 41.525 -4.145 -19.472 1.00 0.00 C ATOM 1208 CE LYS A 107 42.442 -4.963 -20.388 1.00 0.00 C ATOM 1209 NZ LYS A 107 42.331 -4.454 -21.782 1.00 0.00 N1+ ATOM 0 H LYS A 107 44.314 -5.016 -15.598 1.00 0.00 H new ATOM 0 HA LYS A 107 41.492 -4.949 -15.492 1.00 0.00 H new ATOM 0 HB2 LYS A 107 42.992 -3.922 -17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 107 43.338 -5.532 -17.856 1.00 0.00 H new ATOM 0 HG2 LYS A 107 40.961 -5.923 -18.373 1.00 0.00 H new ATOM 0 HG3 LYS A 107 40.496 -4.426 -17.589 1.00 0.00 H new ATOM 0 HD2 LYS A 107 40.574 -3.956 -19.969 1.00 0.00 H new ATOM 0 HD3 LYS A 107 41.975 -3.174 -19.264 1.00 0.00 H new ATOM 0 HE2 LYS A 107 43.474 -4.892 -20.045 1.00 0.00 H new ATOM 0 HE3 LYS A 107 42.165 -6.017 -20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 42.953 -5.008 -22.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 41.347 -4.543 -22.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 42.615 -3.454 -21.810 1.00 0.00 H new ATOM 1223 N ALA A 108 42.863 -7.850 -16.233 1.00 0.00 N ATOM 1224 CA ALA A 108 42.580 -9.274 -16.372 1.00 0.00 C ATOM 1225 C ALA A 108 42.020 -9.844 -15.072 1.00 0.00 C ATOM 1226 O ALA A 108 41.085 -10.642 -15.089 1.00 0.00 O ATOM 1227 CB ALA A 108 43.858 -10.024 -16.748 1.00 0.00 C ATOM 0 H ALA A 108 43.854 -7.608 -16.260 1.00 0.00 H new ATOM 0 HA ALA A 108 41.836 -9.400 -17.159 1.00 0.00 H new ATOM 0 HB1 ALA A 108 43.639 -11.087 -16.850 1.00 0.00 H new ATOM 0 HB2 ALA A 108 44.241 -9.640 -17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 108 44.607 -9.881 -15.969 1.00 0.00 H new ATOM 1233 N GLN A 109 42.599 -9.430 -13.953 1.00 0.00 N ATOM 1234 CA GLN A 109 42.158 -9.911 -12.650 1.00 0.00 C ATOM 1235 C GLN A 109 40.673 -9.621 -12.444 1.00 0.00 C ATOM 1236 O GLN A 109 39.951 -10.416 -11.847 1.00 0.00 O ATOM 1237 CB GLN A 109 42.971 -9.246 -11.541 1.00 0.00 C ATOM 1238 CG GLN A 109 44.395 -9.805 -11.543 1.00 0.00 C ATOM 1239 CD GLN A 109 45.249 -9.063 -10.520 1.00 0.00 C ATOM 1240 OE1 GLN A 109 44.749 -8.192 -9.810 1.00 0.00 O ATOM 1241 NE2 GLN A 109 46.515 -9.360 -10.402 1.00 0.00 N ATOM 0 H GLN A 109 43.372 -8.765 -13.921 1.00 0.00 H new ATOM 0 HA GLN A 109 42.313 -10.989 -12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 109 42.993 -8.166 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 109 42.501 -9.425 -10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 109 44.377 -10.870 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 109 44.833 -9.704 -12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 109 46.926 -10.083 -10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 109 47.093 -8.869 -9.719 1.00 0.00 H new ATOM 1250 N ARG A 110 40.228 -8.473 -12.931 1.00 0.00 N ATOM 1251 CA ARG A 110 38.831 -8.083 -12.794 1.00 0.00 C ATOM 1252 C ARG A 110 37.984 -8.763 -13.861 1.00 0.00 C ATOM 1253 O ARG A 110 36.753 -8.725 -13.810 1.00 0.00 O ATOM 1254 CB ARG A 110 38.693 -6.563 -12.921 1.00 0.00 C ATOM 1255 CG ARG A 110 39.512 -5.886 -11.826 1.00 0.00 C ATOM 1256 CD ARG A 110 39.389 -4.368 -11.961 1.00 0.00 C ATOM 1257 NE ARG A 110 40.076 -3.911 -13.164 1.00 0.00 N ATOM 1258 CZ ARG A 110 40.060 -2.630 -13.520 1.00 0.00 C ATOM 1259 NH1 ARG A 110 39.421 -1.758 -12.788 1.00 0.00 N ATOM 1260 NH2 ARG A 110 40.685 -2.244 -14.600 1.00 0.00 N1+ ATOM 0 H ARG A 110 40.811 -7.796 -13.423 1.00 0.00 H new ATOM 0 HA ARG A 110 38.481 -8.395 -11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 110 39.037 -6.236 -13.902 1.00 0.00 H new ATOM 0 HB3 ARG A 110 37.645 -6.274 -12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 110 39.160 -6.204 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 110 40.557 -6.185 -11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 110 38.338 -4.084 -12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 110 39.815 -3.882 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 110 40.577 -4.586 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 110 38.935 -2.060 -11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 110 39.408 -0.775 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 110 41.186 -2.925 -15.171 1.00 0.00 H new ATOM 0 HH22 ARG A 110 40.672 -1.261 -14.873 1.00 0.00 H new ATOM 1274 N HIS A 111 38.645 -9.379 -14.838 1.00 0.00 N ATOM 1275 CA HIS A 111 37.936 -10.059 -15.922 1.00 0.00 C ATOM 1276 C HIS A 111 37.815 -11.552 -15.636 1.00 0.00 C ATOM 1277 O HIS A 111 36.745 -12.138 -15.797 1.00 0.00 O ATOM 1278 CB HIS A 111 38.685 -9.852 -17.240 1.00 0.00 C ATOM 1279 CG HIS A 111 37.953 -10.558 -18.348 1.00 0.00 C ATOM 1280 ND1 HIS A 111 36.718 -10.130 -18.808 1.00 0.00 N ATOM 1281 CD2 HIS A 111 38.269 -11.665 -19.096 1.00 0.00 C ATOM 1282 CE1 HIS A 111 36.340 -10.967 -19.792 1.00 0.00 C ATOM 1283 NE2 HIS A 111 37.249 -11.922 -20.007 1.00 0.00 N ATOM 0 H HIS A 111 39.662 -9.422 -14.903 1.00 0.00 H new ATOM 0 HA HIS A 111 36.935 -9.635 -15.997 1.00 0.00 H new ATOM 0 HB2 HIS A 111 38.765 -8.788 -17.462 1.00 0.00 H new ATOM 0 HB3 HIS A 111 39.701 -10.237 -17.158 1.00 0.00 H new ATOM 0 HD2 HIS A 111 39.172 -12.248 -18.993 1.00 0.00 H new ATOM 0 HE1 HIS A 111 35.414 -10.877 -20.341 1.00 0.00 H new ATOM 0 HE2 HIS A 111 37.205 -12.677 -20.691 1.00 0.00 H new ATOM 1291 N VAL A 112 38.918 -12.160 -15.210 1.00 0.00 N ATOM 1292 CA VAL A 112 38.924 -13.587 -14.911 1.00 0.00 C ATOM 1293 C VAL A 112 37.792 -13.938 -13.954 1.00 0.00 C ATOM 1294 O VAL A 112 37.091 -13.057 -13.459 1.00 0.00 O ATOM 1295 CB VAL A 112 40.262 -13.987 -14.286 1.00 0.00 C ATOM 1296 CG1 VAL A 112 41.382 -13.793 -15.313 1.00 0.00 C ATOM 1297 CG2 VAL A 112 40.533 -13.111 -13.066 1.00 0.00 C ATOM 0 H VAL A 112 39.812 -11.691 -15.065 1.00 0.00 H new ATOM 0 HA VAL A 112 38.781 -14.133 -15.844 1.00 0.00 H new ATOM 0 HB VAL A 112 40.225 -15.033 -13.982 1.00 0.00 H new ATOM 0 HG11 VAL A 112 42.336 -14.078 -14.869 1.00 0.00 H new ATOM 0 HG12 VAL A 112 41.187 -14.416 -16.186 1.00 0.00 H new ATOM 0 HG13 VAL A 112 41.421 -12.747 -15.616 1.00 0.00 H new ATOM 0 HG21 VAL A 112 41.486 -13.394 -12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 112 40.572 -12.065 -13.370 1.00 0.00 H new ATOM 0 HG23 VAL A 112 39.735 -13.247 -12.336 1.00 0.00 H new ATOM 1307 N LEU A 113 37.610 -15.231 -13.709 1.00 0.00 N ATOM 1308 CA LEU A 113 36.546 -15.686 -12.817 1.00 0.00 C ATOM 1309 C LEU A 113 37.044 -15.743 -11.382 1.00 0.00 C ATOM 1310 O LEU A 113 36.256 -15.897 -10.449 1.00 0.00 O ATOM 1311 CB LEU A 113 36.064 -17.077 -13.246 1.00 0.00 C ATOM 1312 CG LEU A 113 35.128 -16.945 -14.448 1.00 0.00 C ATOM 1313 CD1 LEU A 113 35.893 -16.355 -15.635 1.00 0.00 C ATOM 1314 CD2 LEU A 113 34.587 -18.325 -14.824 1.00 0.00 C ATOM 0 H LEU A 113 38.178 -15.977 -14.110 1.00 0.00 H new ATOM 0 HA LEU A 113 35.718 -14.979 -12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 113 36.917 -17.706 -13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 113 35.546 -17.565 -12.420 1.00 0.00 H new ATOM 0 HG LEU A 113 34.299 -16.286 -14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 113 35.223 -16.262 -16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 113 36.278 -15.371 -15.367 1.00 0.00 H new ATOM 0 HD13 LEU A 113 36.724 -17.011 -15.895 1.00 0.00 H new ATOM 0 HD21 LEU A 113 33.919 -18.233 -15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 113 35.417 -18.984 -15.080 1.00 0.00 H new ATOM 0 HD23 LEU A 113 34.039 -18.743 -13.980 1.00 0.00 H new ATOM 1326 N ASP A 114 38.358 -15.620 -11.205 1.00 0.00 N ATOM 1327 CA ASP A 114 38.951 -15.664 -9.869 1.00 0.00 C ATOM 1328 C ASP A 114 39.956 -14.532 -9.699 1.00 0.00 C ATOM 1329 O ASP A 114 41.167 -14.741 -9.771 1.00 0.00 O ATOM 1330 CB ASP A 114 39.648 -17.004 -9.651 1.00 0.00 C ATOM 1331 CG ASP A 114 40.505 -17.352 -10.862 1.00 0.00 C ATOM 1332 OD1 ASP A 114 40.659 -16.497 -11.718 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 40.995 -18.468 -10.915 1.00 0.00 O ATOM 0 H ASP A 114 39.028 -15.490 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 114 38.156 -15.547 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 114 40.270 -16.958 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 114 38.907 -17.785 -9.484 1.00 0.00 H new ATOM 1338 N PRO A 115 39.476 -13.341 -9.469 1.00 0.00 N ATOM 1339 CA PRO A 115 40.343 -12.141 -9.274 1.00 0.00 C ATOM 1340 C PRO A 115 41.290 -12.304 -8.085 1.00 0.00 C ATOM 1341 O PRO A 115 40.953 -12.953 -7.097 1.00 0.00 O ATOM 1342 CB PRO A 115 39.342 -11.000 -9.025 1.00 0.00 C ATOM 1343 CG PRO A 115 38.039 -11.491 -9.567 1.00 0.00 C ATOM 1344 CD PRO A 115 38.049 -13.000 -9.375 1.00 0.00 C ATOM 0 HA PRO A 115 40.992 -11.962 -10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 115 39.264 -10.770 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 115 39.656 -10.085 -9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 115 37.200 -11.036 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 115 37.932 -11.232 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 115 37.629 -13.286 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 115 37.462 -13.507 -10.141 1.00 0.00 H new ATOM 1352 N ARG A 116 42.471 -11.709 -8.193 1.00 0.00 N ATOM 1353 CA ARG A 116 43.461 -11.793 -7.126 1.00 0.00 C ATOM 1354 C ARG A 116 44.398 -10.592 -7.170 1.00 0.00 C ATOM 1355 O ARG A 116 44.996 -10.296 -8.203 1.00 0.00 O ATOM 1356 CB ARG A 116 44.267 -13.087 -7.266 1.00 0.00 C ATOM 1357 CG ARG A 116 44.630 -13.310 -8.737 1.00 0.00 C ATOM 1358 CD ARG A 116 45.378 -14.635 -8.884 1.00 0.00 C ATOM 1359 NE ARG A 116 45.741 -14.854 -10.279 1.00 0.00 N ATOM 1360 CZ ARG A 116 46.091 -16.059 -10.715 1.00 0.00 C ATOM 1361 NH1 ARG A 116 46.112 -17.072 -9.892 1.00 0.00 N ATOM 1362 NH2 ARG A 116 46.414 -16.230 -11.969 1.00 0.00 N1+ ATOM 0 H ARG A 116 42.766 -11.166 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 116 42.941 -11.794 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 116 45.173 -13.030 -6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 116 43.687 -13.931 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 116 43.727 -13.321 -9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 116 45.249 -12.489 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 116 46.275 -14.626 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 116 44.754 -15.455 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 116 45.726 -14.069 -10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 116 45.859 -16.939 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 116 46.381 -17.997 -10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 116 46.397 -15.439 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 116 46.683 -17.155 -12.305 1.00 0.00 H new ATOM 1376 N CYS A 117 44.523 -9.905 -6.041 1.00 0.00 N ATOM 1377 CA CYS A 117 45.393 -8.740 -5.964 1.00 0.00 C ATOM 1378 C CYS A 117 46.764 -9.039 -6.579 1.00 0.00 C ATOM 1379 O CYS A 117 47.255 -10.159 -6.519 1.00 0.00 O ATOM 1380 CB CYS A 117 45.567 -8.314 -4.492 1.00 0.00 C ATOM 1381 SG CYS A 117 44.131 -8.844 -3.520 1.00 0.00 S ATOM 0 H CYS A 117 44.037 -10.132 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 117 44.931 -7.930 -6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 117 46.476 -8.754 -4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 117 45.680 -7.232 -4.429 1.00 0.00 H new ATOM 0 HG CYS A 117 43.040 -8.446 -4.105 1.00 0.00 H new ATOM 1386 N GLN A 118 47.368 -8.020 -7.160 1.00 0.00 N ATOM 1387 CA GLN A 118 48.684 -8.171 -7.771 1.00 0.00 C ATOM 1388 C GLN A 118 49.682 -8.703 -6.747 1.00 0.00 C ATOM 1389 O GLN A 118 50.820 -9.026 -7.079 1.00 0.00 O ATOM 1390 CB GLN A 118 49.172 -6.836 -8.326 1.00 0.00 C ATOM 1391 CG GLN A 118 48.293 -6.428 -9.510 1.00 0.00 C ATOM 1392 CD GLN A 118 48.733 -5.070 -10.038 1.00 0.00 C ATOM 1393 OE1 GLN A 118 49.707 -4.496 -9.546 1.00 0.00 O ATOM 1394 NE2 GLN A 118 48.076 -4.517 -11.020 1.00 0.00 N ATOM 0 H GLN A 118 46.975 -7.081 -7.224 1.00 0.00 H new ATOM 0 HA GLN A 118 48.603 -8.883 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 118 49.135 -6.071 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 118 50.212 -6.919 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 118 48.363 -7.175 -10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 118 47.248 -6.387 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 118 47.270 -4.993 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 118 48.368 -3.609 -11.381 1.00 0.00 H new ATOM 1403 N ILE A 119 49.260 -8.761 -5.491 1.00 0.00 N ATOM 1404 CA ILE A 119 50.132 -9.242 -4.418 1.00 0.00 C ATOM 1405 C ILE A 119 50.005 -10.747 -4.245 1.00 0.00 C ATOM 1406 O ILE A 119 50.939 -11.413 -3.801 1.00 0.00 O ATOM 1407 CB ILE A 119 49.769 -8.544 -3.105 1.00 0.00 C ATOM 1408 CG1 ILE A 119 49.621 -7.038 -3.348 1.00 0.00 C ATOM 1409 CG2 ILE A 119 50.876 -8.784 -2.075 1.00 0.00 C ATOM 1410 CD1 ILE A 119 50.864 -6.503 -4.068 1.00 0.00 C ATOM 0 H ILE A 119 48.327 -8.484 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 119 51.163 -9.011 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 119 48.828 -8.947 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 119 48.731 -6.843 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 119 49.488 -6.519 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 119 50.617 -8.287 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.983 -9.854 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 119 51.817 -8.382 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.753 -5.432 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.746 -6.684 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.978 -7.012 -5.025 1.00 0.00 H new ATOM 1422 N CYS A 120 48.841 -11.278 -4.584 1.00 0.00 N ATOM 1423 CA CYS A 120 48.591 -12.710 -4.445 1.00 0.00 C ATOM 1424 C CYS A 120 49.160 -13.478 -5.635 1.00 0.00 C ATOM 1425 O CYS A 120 49.593 -14.621 -5.495 1.00 0.00 O ATOM 1426 CB CYS A 120 47.069 -12.975 -4.329 1.00 0.00 C ATOM 1427 SG CYS A 120 46.164 -11.424 -4.473 1.00 0.00 S ATOM 0 H CYS A 120 48.055 -10.744 -4.956 1.00 0.00 H new ATOM 0 HA CYS A 120 49.088 -13.057 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 120 46.751 -13.666 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 120 46.845 -13.449 -3.373 1.00 0.00 H new ATOM 0 HG CYS A 120 46.462 -10.851 -5.601 1.00 0.00 H new ATOM 1432 N VAL A 121 49.136 -12.850 -6.801 1.00 0.00 N ATOM 1433 CA VAL A 121 49.638 -13.487 -8.009 1.00 0.00 C ATOM 1434 C VAL A 121 51.129 -13.761 -7.885 1.00 0.00 C ATOM 1435 O VAL A 121 51.625 -14.783 -8.358 1.00 0.00 O ATOM 1436 CB VAL A 121 49.379 -12.589 -9.222 1.00 0.00 C ATOM 1437 CG1 VAL A 121 47.879 -12.315 -9.346 1.00 0.00 C ATOM 1438 CG2 VAL A 121 50.124 -11.267 -9.043 1.00 0.00 C ATOM 0 H VAL A 121 48.776 -11.905 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 121 49.115 -14.434 -8.143 1.00 0.00 H new ATOM 0 HB VAL A 121 49.732 -13.088 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 121 47.696 -11.676 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 121 47.346 -13.257 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 121 47.524 -11.816 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 121 49.941 -10.626 -9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 121 49.770 -10.769 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 121 51.193 -11.461 -8.956 1.00 0.00 H new ATOM 1448 N HIS A 122 51.845 -12.838 -7.249 1.00 0.00 N ATOM 1449 CA HIS A 122 53.286 -12.989 -7.072 1.00 0.00 C ATOM 1450 C HIS A 122 53.589 -13.753 -5.792 1.00 0.00 C ATOM 1451 O HIS A 122 54.740 -13.825 -5.361 1.00 0.00 O ATOM 1452 CB HIS A 122 53.953 -11.611 -7.015 1.00 0.00 C ATOM 1453 CG HIS A 122 54.018 -11.029 -8.401 1.00 0.00 C ATOM 1454 ND1 HIS A 122 54.820 -11.572 -9.392 1.00 0.00 N ATOM 1455 CD2 HIS A 122 53.389 -9.955 -8.975 1.00 0.00 C ATOM 1456 CE1 HIS A 122 54.652 -10.831 -10.502 1.00 0.00 C ATOM 1457 NE2 HIS A 122 53.789 -9.831 -10.302 1.00 0.00 N ATOM 0 H HIS A 122 51.455 -11.984 -6.850 1.00 0.00 H new ATOM 0 HA HIS A 122 53.681 -13.549 -7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 122 53.390 -10.949 -6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 122 54.956 -11.697 -6.598 1.00 0.00 H new ATOM 0 HD2 HIS A 122 52.689 -9.304 -8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 122 55.153 -11.021 -11.440 1.00 0.00 H new ATOM 0 HE2 HIS A 122 53.488 -9.128 -10.977 1.00 0.00 H new