USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= -0.179 X(o=0.94,f=0.66) USER MOD Set 1.2: A 88 THR OG1 : rot 80:sc= 1.12 USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0.467 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -148:sc= 0.514 (180deg=0) USER MOD Set 3.1: A 20 ASN : amide:sc= 1.82 K(o=3,f=-6.4!) USER MOD Set 3.2: A 22 ASN : amide:sc= 1.19 K(o=3,f=0.65) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.26 (180deg=1) USER MOD Single : A 14 GLN : amide:sc= -0.0871 X(o=-0.087,f=0) USER MOD Single : A 25 MET CE :methyl 175:sc= -1.03 (180deg=-1.08) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -59:sc= 1.31 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -157:sc= 1.18 USER MOD Single : A 50 SER OG : rot 74:sc= 1.23 USER MOD Single : A 51 SER OG : rot -31:sc= 0.0282 USER MOD Single : A 52 HIS : +bothHN:sc= 1.13 K(o=1.1,f=-8!) USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= 1.22 (180deg=-0.191) USER MOD Single : A 59 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.0079) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.03) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 MET CE :methyl 141:sc= -0.387 (180deg=-1.2) USER MOD Single : A 71 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.8!) USER MOD Single : A 73 TYR OH : rot 150:sc=-0.00864 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.249 K(o=0.25,f=-2.4!) USER MOD Single : A 89 THR OG1 : rot 65:sc= 0.6 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.536 9.032 6.013 1.00 0.00 N ATOM 85 CA ASP A 6 -8.947 7.825 5.346 1.00 0.00 C ATOM 86 C ASP A 6 -9.180 6.729 6.378 1.00 0.00 C ATOM 87 O ASP A 6 -8.266 6.376 7.142 1.00 0.00 O ATOM 88 CB ASP A 6 -7.921 7.360 4.327 1.00 0.00 C ATOM 89 CG ASP A 6 -8.456 6.227 3.492 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.374 5.076 3.925 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.017 6.501 2.403 1.00 0.00 O ATOM 0 HA ASP A 6 -9.871 8.039 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.644 8.192 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.014 7.040 4.840 1.00 0.00 H new ATOM 96 N PRO A 7 -10.407 6.194 6.443 1.00 0.00 N ATOM 97 CA PRO A 7 -10.772 5.150 7.398 1.00 0.00 C ATOM 98 C PRO A 7 -9.995 3.852 7.197 1.00 0.00 C ATOM 99 O PRO A 7 -9.767 3.108 8.145 1.00 0.00 O ATOM 100 CB PRO A 7 -12.254 4.898 7.122 1.00 0.00 C ATOM 101 CG PRO A 7 -12.724 6.087 6.371 1.00 0.00 C ATOM 102 CD PRO A 7 -11.546 6.581 5.601 1.00 0.00 C ATOM 0 HA PRO A 7 -10.550 5.467 8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.396 3.986 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.811 4.775 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.545 5.827 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.096 6.855 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.490 6.123 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.587 7.660 5.451 1.00 0.00 H new ATOM 110 N GLU A 8 -9.620 3.566 5.978 1.00 0.00 N ATOM 111 CA GLU A 8 -8.906 2.347 5.683 1.00 0.00 C ATOM 112 C GLU A 8 -7.457 2.502 6.129 1.00 0.00 C ATOM 113 O GLU A 8 -6.873 1.594 6.735 1.00 0.00 O ATOM 114 CB GLU A 8 -9.006 2.008 4.194 1.00 0.00 C ATOM 115 CG GLU A 8 -10.435 1.979 3.664 1.00 0.00 C ATOM 116 CD GLU A 8 -11.313 0.985 4.379 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.858 1.306 5.460 1.00 0.00 O ATOM 118 OE2 GLU A 8 -11.503 -0.133 3.863 1.00 0.00 O ATOM 0 H GLU A 8 -9.797 4.162 5.169 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.354 1.516 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.432 2.740 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.544 1.036 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.871 2.973 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.417 1.739 2.601 1.00 0.00 H new ATOM 125 N PHE A 9 -6.911 3.678 5.854 1.00 0.00 N ATOM 126 CA PHE A 9 -5.551 4.047 6.236 1.00 0.00 C ATOM 127 C PHE A 9 -5.363 3.925 7.748 1.00 0.00 C ATOM 128 O PHE A 9 -4.361 3.357 8.220 1.00 0.00 O ATOM 129 CB PHE A 9 -5.250 5.488 5.782 1.00 0.00 C ATOM 130 CG PHE A 9 -3.829 5.940 6.003 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.436 6.513 7.208 1.00 0.00 C ATOM 132 CD2 PHE A 9 -2.890 5.795 5.001 1.00 0.00 C ATOM 133 CE1 PHE A 9 -2.135 6.926 7.403 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.591 6.209 5.189 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.210 6.774 6.393 1.00 0.00 C ATOM 0 H PHE A 9 -7.406 4.415 5.352 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.857 3.364 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.482 5.575 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.918 6.167 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.159 6.636 8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.178 5.352 4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.842 7.367 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.868 6.093 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.190 7.095 6.541 1.00 0.00 H new ATOM 145 N VAL A 10 -6.319 4.446 8.513 1.00 0.00 N ATOM 146 CA VAL A 10 -6.222 4.376 9.959 1.00 0.00 C ATOM 147 C VAL A 10 -6.273 2.910 10.438 1.00 0.00 C ATOM 148 O VAL A 10 -5.607 2.544 11.406 1.00 0.00 O ATOM 149 CB VAL A 10 -7.252 5.288 10.713 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.686 4.823 10.542 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.889 5.424 12.190 1.00 0.00 C ATOM 0 H VAL A 10 -7.154 4.913 8.159 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.248 4.788 10.224 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.189 6.274 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.353 5.492 11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.947 4.831 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.789 3.811 10.934 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.620 6.061 12.687 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.889 4.439 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.898 5.869 12.282 1.00 0.00 H new ATOM 161 N LYS A 11 -7.048 2.069 9.745 1.00 0.00 N ATOM 162 CA LYS A 11 -7.089 0.643 10.066 1.00 0.00 C ATOM 163 C LYS A 11 -5.718 0.029 9.852 1.00 0.00 C ATOM 164 O LYS A 11 -5.229 -0.703 10.696 1.00 0.00 O ATOM 165 CB LYS A 11 -8.108 -0.119 9.216 1.00 0.00 C ATOM 166 CG LYS A 11 -9.543 0.304 9.400 1.00 0.00 C ATOM 167 CD LYS A 11 -10.458 -0.554 8.552 1.00 0.00 C ATOM 168 CE LYS A 11 -11.912 -0.118 8.651 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.129 1.235 8.106 1.00 0.00 N ATOM 0 H LYS A 11 -7.647 2.348 8.968 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.392 0.560 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.843 0.001 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.027 -1.181 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.823 0.218 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.658 1.352 9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.136 -0.506 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.371 -1.594 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.540 -0.829 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.226 -0.142 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.896 1.702 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.256 1.792 8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.389 1.167 7.101 1.00 0.00 H new ATOM 183 N LEU A 12 -5.093 0.376 8.734 1.00 0.00 N ATOM 184 CA LEU A 12 -3.769 -0.134 8.374 1.00 0.00 C ATOM 185 C LEU A 12 -2.727 0.199 9.434 1.00 0.00 C ATOM 186 O LEU A 12 -1.901 -0.647 9.772 1.00 0.00 O ATOM 187 CB LEU A 12 -3.314 0.429 7.036 1.00 0.00 C ATOM 188 CG LEU A 12 -4.141 0.076 5.813 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.571 0.782 4.610 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.136 -1.417 5.578 1.00 0.00 C ATOM 0 H LEU A 12 -5.487 1.020 8.048 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.860 -1.218 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.284 1.515 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.292 0.094 6.860 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.170 0.395 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.161 0.532 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.600 1.859 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.539 0.466 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.734 -1.649 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.112 -1.757 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.558 -1.923 6.446 1.00 0.00 H new ATOM 202 N ARG A 13 -2.777 1.427 9.954 1.00 0.00 N ATOM 203 CA ARG A 13 -1.844 1.875 11.006 1.00 0.00 C ATOM 204 C ARG A 13 -1.957 1.004 12.250 1.00 0.00 C ATOM 205 O ARG A 13 -0.966 0.698 12.897 1.00 0.00 O ATOM 206 CB ARG A 13 -2.097 3.346 11.383 1.00 0.00 C ATOM 207 CG ARG A 13 -1.752 4.347 10.293 1.00 0.00 C ATOM 208 CD ARG A 13 -0.247 4.419 10.043 1.00 0.00 C ATOM 209 NE ARG A 13 0.498 5.057 11.150 1.00 0.00 N ATOM 210 CZ ARG A 13 1.830 4.956 11.345 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.523 3.973 10.777 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.440 5.789 12.173 1.00 0.00 N ATOM 0 H ARG A 13 -3.453 2.135 9.667 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.836 1.782 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.148 3.464 11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.516 3.584 12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.261 4.069 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.121 5.333 10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.138 3.411 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.064 4.974 9.123 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.035 5.616 11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.048 3.288 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.529 3.904 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.904 6.506 12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.446 5.714 12.322 1.00 0.00 H new ATOM 226 N GLN A 14 -3.167 0.596 12.558 1.00 0.00 N ATOM 227 CA GLN A 14 -3.445 -0.230 13.724 1.00 0.00 C ATOM 228 C GLN A 14 -3.105 -1.702 13.444 1.00 0.00 C ATOM 229 O GLN A 14 -2.547 -2.402 14.293 1.00 0.00 O ATOM 230 CB GLN A 14 -4.933 -0.112 14.075 1.00 0.00 C ATOM 231 CG GLN A 14 -5.395 1.302 14.391 1.00 0.00 C ATOM 232 CD GLN A 14 -6.897 1.402 14.509 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.467 1.232 15.582 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.548 1.692 13.416 1.00 0.00 N ATOM 0 H GLN A 14 -3.994 0.826 12.007 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.830 0.116 14.555 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.522 -0.496 13.242 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.143 -0.750 14.934 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.937 1.631 15.324 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.049 1.978 13.609 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.041 1.827 12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.564 1.784 13.437 1.00 0.00 H new ATOM 314 N VAL A 19 3.387 -8.258 6.460 1.00 0.00 N ATOM 315 CA VAL A 19 4.198 -8.579 5.311 1.00 0.00 C ATOM 316 C VAL A 19 5.499 -7.828 5.362 1.00 0.00 C ATOM 317 O VAL A 19 5.675 -6.930 6.202 1.00 0.00 O ATOM 318 CB VAL A 19 3.477 -8.262 3.967 1.00 0.00 C ATOM 319 CG1 VAL A 19 2.395 -9.273 3.676 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.871 -6.873 4.004 1.00 0.00 C ATOM 0 HA VAL A 19 4.383 -9.653 5.348 1.00 0.00 H new ATOM 0 HB VAL A 19 4.224 -8.311 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.910 -9.025 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.835 -10.268 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.657 -9.257 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.371 -6.669 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.147 -6.814 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.658 -6.137 4.165 1.00 0.00 H new ATOM 330 N ASN A 20 6.402 -8.209 4.495 1.00 0.00 N ATOM 331 CA ASN A 20 7.707 -7.590 4.401 1.00 0.00 C ATOM 332 C ASN A 20 7.548 -6.176 3.894 1.00 0.00 C ATOM 333 O ASN A 20 6.831 -5.940 2.913 1.00 0.00 O ATOM 334 CB ASN A 20 8.588 -8.386 3.422 1.00 0.00 C ATOM 335 CG ASN A 20 10.069 -7.996 3.418 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.438 -6.857 3.643 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.915 -8.942 3.133 1.00 0.00 N ATOM 0 H ASN A 20 6.254 -8.965 3.826 1.00 0.00 H new ATOM 0 HA ASN A 20 8.178 -7.580 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.508 -9.446 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.192 -8.258 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.914 -8.738 3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.580 -9.888 2.949 1.00 0.00 H new ATOM 344 N PHE A 21 8.215 -5.257 4.542 1.00 0.00 N ATOM 345 CA PHE A 21 8.216 -3.860 4.156 1.00 0.00 C ATOM 346 C PHE A 21 8.698 -3.700 2.715 1.00 0.00 C ATOM 347 O PHE A 21 8.136 -2.930 1.930 1.00 0.00 O ATOM 348 CB PHE A 21 9.123 -3.069 5.114 1.00 0.00 C ATOM 349 CG PHE A 21 9.437 -1.681 4.651 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.551 -0.653 4.858 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.619 -1.423 3.974 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.833 0.610 4.404 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.900 -0.172 3.511 1.00 0.00 C ATOM 354 CZ PHE A 21 10.010 0.848 3.723 1.00 0.00 C ATOM 0 H PHE A 21 8.783 -5.455 5.366 1.00 0.00 H new ATOM 0 HA PHE A 21 7.199 -3.472 4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.642 -3.015 6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.056 -3.616 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.625 -0.840 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.326 -2.223 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.136 1.416 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.821 0.015 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.230 1.840 3.357 1.00 0.00 H new ATOM 364 N ASN A 22 9.699 -4.478 2.366 1.00 0.00 N ATOM 365 CA ASN A 22 10.335 -4.385 1.060 1.00 0.00 C ATOM 366 C ASN A 22 9.405 -4.937 0.004 1.00 0.00 C ATOM 367 O ASN A 22 9.416 -4.501 -1.139 1.00 0.00 O ATOM 368 CB ASN A 22 11.685 -5.125 1.032 1.00 0.00 C ATOM 369 CG ASN A 22 12.662 -4.650 2.106 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.421 -3.700 1.918 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.656 -5.310 3.238 1.00 0.00 N ATOM 0 H ASN A 22 10.098 -5.193 2.974 1.00 0.00 H new ATOM 0 HA ASN A 22 10.538 -3.334 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.508 -6.193 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.143 -4.993 0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.291 -5.040 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.016 -6.094 3.368 1.00 0.00 H new ATOM 378 N LEU A 23 8.574 -5.879 0.411 1.00 0.00 N ATOM 379 CA LEU A 23 7.608 -6.481 -0.480 1.00 0.00 C ATOM 380 C LEU A 23 6.529 -5.477 -0.814 1.00 0.00 C ATOM 381 O LEU A 23 6.164 -5.325 -1.968 1.00 0.00 O ATOM 382 CB LEU A 23 6.989 -7.721 0.141 1.00 0.00 C ATOM 383 CG LEU A 23 5.938 -8.430 -0.703 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.532 -8.898 -2.028 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.342 -9.588 0.068 1.00 0.00 C ATOM 0 H LEU A 23 8.552 -6.244 1.363 1.00 0.00 H new ATOM 0 HA LEU A 23 8.122 -6.781 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.787 -8.429 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.536 -7.441 1.092 1.00 0.00 H new ATOM 0 HG LEU A 23 5.139 -7.724 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.763 -9.402 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.906 -8.038 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.352 -9.590 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.592 -10.087 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.129 -10.297 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.875 -9.216 0.980 1.00 0.00 H new ATOM 397 N VAL A 24 6.039 -4.779 0.203 1.00 0.00 N ATOM 398 CA VAL A 24 5.031 -3.740 -0.008 1.00 0.00 C ATOM 399 C VAL A 24 5.613 -2.651 -0.893 1.00 0.00 C ATOM 400 O VAL A 24 4.949 -2.162 -1.810 1.00 0.00 O ATOM 401 CB VAL A 24 4.534 -3.135 1.320 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.470 -2.070 1.085 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.998 -4.220 2.210 1.00 0.00 C ATOM 0 H VAL A 24 6.318 -4.909 1.175 1.00 0.00 H new ATOM 0 HA VAL A 24 4.170 -4.198 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 24 5.381 -2.654 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.143 -1.665 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.886 -1.268 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.619 -2.514 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.649 -3.784 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.168 -4.722 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.787 -4.943 2.418 1.00 0.00 H new ATOM 413 N MET A 25 6.878 -2.313 -0.638 1.00 0.00 N ATOM 414 CA MET A 25 7.609 -1.368 -1.471 1.00 0.00 C ATOM 415 C MET A 25 7.634 -1.848 -2.912 1.00 0.00 C ATOM 416 O MET A 25 7.410 -1.068 -3.818 1.00 0.00 O ATOM 417 CB MET A 25 9.036 -1.109 -0.924 1.00 0.00 C ATOM 418 CG MET A 25 9.949 -0.324 -1.869 1.00 0.00 C ATOM 419 SD MET A 25 11.624 -0.089 -1.212 1.00 0.00 S ATOM 420 CE MET A 25 11.285 0.911 0.227 1.00 0.00 C ATOM 0 H MET A 25 7.417 -2.684 0.144 1.00 0.00 H new ATOM 0 HA MET A 25 7.087 -0.411 -1.442 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.957 -0.566 0.018 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.505 -2.067 -0.701 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.010 -0.847 -2.823 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.504 0.651 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.207 1.065 0.788 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.885 1.875 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.556 0.404 0.859 1.00 0.00 H new ATOM 430 N GLN A 26 7.841 -3.140 -3.103 1.00 0.00 N ATOM 431 CA GLN A 26 7.837 -3.725 -4.430 1.00 0.00 C ATOM 432 C GLN A 26 6.439 -3.662 -5.051 1.00 0.00 C ATOM 433 O GLN A 26 6.311 -3.330 -6.205 1.00 0.00 O ATOM 434 CB GLN A 26 8.353 -5.172 -4.425 1.00 0.00 C ATOM 435 CG GLN A 26 8.352 -5.807 -5.809 1.00 0.00 C ATOM 436 CD GLN A 26 8.801 -7.247 -5.831 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.609 -8.000 -4.871 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.403 -7.640 -6.919 1.00 0.00 N ATOM 0 H GLN A 26 8.015 -3.806 -2.350 1.00 0.00 H new ATOM 0 HA GLN A 26 8.520 -3.134 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.366 -5.190 -4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.735 -5.770 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.346 -5.746 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.002 -5.226 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.542 -6.986 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.735 -8.601 -6.999 1.00 0.00 H new ATOM 447 N ILE A 27 5.406 -3.971 -4.269 1.00 0.00 N ATOM 448 CA ILE A 27 4.013 -3.914 -4.749 1.00 0.00 C ATOM 449 C ILE A 27 3.700 -2.511 -5.267 1.00 0.00 C ATOM 450 O ILE A 27 3.222 -2.333 -6.397 1.00 0.00 O ATOM 451 CB ILE A 27 2.991 -4.278 -3.621 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.217 -5.706 -3.114 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.540 -4.100 -4.093 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.037 -6.773 -4.167 1.00 0.00 C ATOM 0 H ILE A 27 5.501 -4.265 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 27 3.915 -4.647 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 27 3.162 -3.587 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.226 -5.780 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.527 -5.901 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.859 -4.362 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.376 -3.062 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.353 -4.749 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.215 -7.754 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.021 -6.730 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.745 -6.607 -4.978 1.00 0.00 H new ATOM 466 N LEU A 28 4.022 -1.533 -4.447 1.00 0.00 N ATOM 467 CA LEU A 28 3.805 -0.136 -4.762 1.00 0.00 C ATOM 468 C LEU A 28 4.640 0.276 -5.970 1.00 0.00 C ATOM 469 O LEU A 28 4.161 0.953 -6.859 1.00 0.00 O ATOM 470 CB LEU A 28 4.164 0.713 -3.546 1.00 0.00 C ATOM 471 CG LEU A 28 3.348 0.434 -2.281 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.942 1.154 -1.097 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.902 0.849 -2.471 1.00 0.00 C ATOM 0 H LEU A 28 4.447 -1.687 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 28 2.756 0.019 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.219 0.561 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.044 1.764 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 28 3.379 -0.639 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.348 0.943 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.965 0.813 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.943 2.227 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.341 0.642 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.855 1.916 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.468 0.289 -3.299 1.00 0.00 H new ATOM 485 N ASP A 29 5.870 -0.184 -5.998 1.00 0.00 N ATOM 486 CA ASP A 29 6.821 0.098 -7.080 1.00 0.00 C ATOM 487 C ASP A 29 6.317 -0.475 -8.392 1.00 0.00 C ATOM 488 O ASP A 29 6.315 0.202 -9.425 1.00 0.00 O ATOM 489 CB ASP A 29 8.147 -0.568 -6.743 1.00 0.00 C ATOM 490 CG ASP A 29 9.267 -0.225 -7.683 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.726 0.931 -7.690 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.772 -1.129 -8.377 1.00 0.00 O ATOM 0 H ASP A 29 6.256 -0.776 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 29 6.937 1.177 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.437 -0.283 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.007 -1.649 -6.742 1.00 0.00 H new ATOM 497 N GLU A 30 5.870 -1.711 -8.313 1.00 0.00 N ATOM 498 CA GLU A 30 5.396 -2.490 -9.447 1.00 0.00 C ATOM 499 C GLU A 30 4.148 -1.848 -10.064 1.00 0.00 C ATOM 500 O GLU A 30 4.080 -1.661 -11.281 1.00 0.00 O ATOM 501 CB GLU A 30 5.107 -3.929 -8.995 1.00 0.00 C ATOM 502 CG GLU A 30 5.202 -4.977 -10.087 1.00 0.00 C ATOM 503 CD GLU A 30 5.066 -6.387 -9.539 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.926 -6.817 -8.723 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.120 -7.097 -9.902 1.00 0.00 O ATOM 0 H GLU A 30 5.824 -2.221 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 30 6.170 -2.510 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.805 -4.191 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.106 -3.964 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.422 -4.800 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.158 -4.879 -10.601 1.00 0.00 H new ATOM 512 N ILE A 31 3.173 -1.482 -9.230 1.00 0.00 N ATOM 513 CA ILE A 31 1.973 -0.835 -9.752 1.00 0.00 C ATOM 514 C ILE A 31 2.322 0.539 -10.316 1.00 0.00 C ATOM 515 O ILE A 31 1.854 0.908 -11.381 1.00 0.00 O ATOM 516 CB ILE A 31 0.810 -0.706 -8.710 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.224 0.132 -7.499 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.324 -2.077 -8.269 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.126 0.359 -6.498 1.00 0.00 C ATOM 0 H ILE A 31 3.189 -1.618 -8.219 1.00 0.00 H new ATOM 0 HA ILE A 31 1.600 -1.488 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.012 -0.188 -9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.059 -0.360 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.587 1.099 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.483 -1.962 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.041 -2.630 -9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.147 -2.624 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.505 0.962 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.702 0.881 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.223 -0.601 -6.116 1.00 0.00 H new ATOM 531 N GLU A 32 3.199 1.254 -9.613 1.00 0.00 N ATOM 532 CA GLU A 32 3.638 2.576 -9.992 1.00 0.00 C ATOM 533 C GLU A 32 4.313 2.574 -11.360 1.00 0.00 C ATOM 534 O GLU A 32 4.010 3.419 -12.209 1.00 0.00 O ATOM 535 CB GLU A 32 4.603 3.085 -8.942 1.00 0.00 C ATOM 536 CG GLU A 32 5.211 4.419 -9.237 1.00 0.00 C ATOM 537 CD GLU A 32 6.223 4.799 -8.213 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.854 5.289 -7.139 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.440 4.585 -8.473 1.00 0.00 O ATOM 0 H GLU A 32 3.626 0.916 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 32 2.767 3.228 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.080 3.144 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.404 2.356 -8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.679 4.396 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.428 5.176 -9.274 1.00 0.00 H new ATOM 546 N LEU A 33 5.215 1.618 -11.576 1.00 0.00 N ATOM 547 CA LEU A 33 5.961 1.551 -12.824 1.00 0.00 C ATOM 548 C LEU A 33 5.055 1.385 -14.029 1.00 0.00 C ATOM 549 O LEU A 33 5.303 1.992 -15.087 1.00 0.00 O ATOM 550 CB LEU A 33 7.160 0.540 -12.789 1.00 0.00 C ATOM 551 CG LEU A 33 6.888 -0.958 -12.521 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.328 -1.677 -13.746 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.150 -1.647 -12.028 1.00 0.00 C ATOM 0 H LEU A 33 5.444 0.885 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 33 6.436 2.525 -12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.675 0.612 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.857 0.887 -12.026 1.00 0.00 H new ATOM 0 HG LEU A 33 6.125 -1.011 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.155 -2.726 -13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.387 -1.212 -14.042 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.042 -1.607 -14.567 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.941 -2.701 -11.844 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.931 -1.558 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.484 -1.177 -11.103 1.00 0.00 H new ATOM 565 N ASP A 34 3.991 0.608 -13.864 1.00 0.00 N ATOM 566 CA ASP A 34 3.030 0.430 -14.937 1.00 0.00 C ATOM 567 C ASP A 34 2.152 1.650 -15.061 1.00 0.00 C ATOM 568 O ASP A 34 2.080 2.255 -16.125 1.00 0.00 O ATOM 569 CB ASP A 34 2.145 -0.795 -14.707 1.00 0.00 C ATOM 570 CG ASP A 34 1.112 -0.969 -15.814 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.444 -1.588 -16.848 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.037 -0.490 -15.670 1.00 0.00 O ATOM 0 H ASP A 34 3.776 0.098 -13.007 1.00 0.00 H new ATOM 0 HA ASP A 34 3.598 0.282 -15.856 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.769 -1.687 -14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.636 -0.700 -13.748 1.00 0.00 H new ATOM 577 N LEU A 35 1.584 2.060 -13.927 1.00 0.00 N ATOM 578 CA LEU A 35 0.613 3.163 -13.827 1.00 0.00 C ATOM 579 C LEU A 35 1.147 4.483 -14.352 1.00 0.00 C ATOM 580 O LEU A 35 0.402 5.305 -14.876 1.00 0.00 O ATOM 581 CB LEU A 35 0.172 3.330 -12.370 1.00 0.00 C ATOM 582 CG LEU A 35 -0.720 4.528 -12.051 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.030 4.458 -12.810 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.956 4.622 -10.563 1.00 0.00 C ATOM 0 H LEU A 35 1.788 1.627 -13.026 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.235 2.893 -14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.355 2.425 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.066 3.398 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.206 5.433 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.642 5.325 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.830 4.451 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.562 3.547 -12.534 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.593 5.480 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.444 3.712 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.002 4.742 -10.050 1.00 0.00 H new ATOM 664 N ILE A 41 -5.002 2.397 -12.856 1.00 0.00 N ATOM 665 CA ILE A 41 -4.261 1.813 -11.741 1.00 0.00 C ATOM 666 C ILE A 41 -4.866 0.481 -11.331 1.00 0.00 C ATOM 667 O ILE A 41 -4.163 -0.419 -10.919 1.00 0.00 O ATOM 668 CB ILE A 41 -4.201 2.785 -10.511 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.473 2.133 -9.309 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.590 3.264 -10.130 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.344 3.024 -8.089 1.00 0.00 C ATOM 0 HA ILE A 41 -3.240 1.645 -12.083 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.618 3.659 -10.804 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.008 1.227 -9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.476 1.828 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.521 3.936 -9.275 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.036 3.793 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.211 2.407 -9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.822 2.485 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.781 3.920 -8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.337 3.309 -7.740 1.00 0.00 H new ATOM 683 N LYS A 42 -6.168 0.350 -11.505 1.00 0.00 N ATOM 684 CA LYS A 42 -6.860 -0.874 -11.153 1.00 0.00 C ATOM 685 C LYS A 42 -6.371 -2.047 -11.999 1.00 0.00 C ATOM 686 O LYS A 42 -6.255 -3.160 -11.513 1.00 0.00 O ATOM 687 CB LYS A 42 -8.373 -0.698 -11.252 1.00 0.00 C ATOM 688 CG LYS A 42 -8.886 -0.281 -12.625 1.00 0.00 C ATOM 689 CD LYS A 42 -10.385 -0.021 -12.602 1.00 0.00 C ATOM 690 CE LYS A 42 -11.182 -1.256 -12.218 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.628 -0.976 -12.165 1.00 0.00 N ATOM 0 H LYS A 42 -6.769 1.079 -11.889 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.627 -1.105 -10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.852 -1.636 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.685 0.049 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.364 0.618 -12.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.662 -1.062 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.601 0.781 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.706 0.324 -13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.991 -2.051 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.846 -1.619 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.140 -1.842 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.812 -0.235 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.954 -0.654 -13.099 1.00 0.00 H new ATOM 705 N THR A 43 -6.032 -1.777 -13.242 1.00 0.00 N ATOM 706 CA THR A 43 -5.520 -2.795 -14.110 1.00 0.00 C ATOM 707 C THR A 43 -4.049 -3.085 -13.750 1.00 0.00 C ATOM 708 O THR A 43 -3.591 -4.233 -13.829 1.00 0.00 O ATOM 709 CB THR A 43 -5.672 -2.374 -15.583 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.047 -2.022 -15.820 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.304 -3.512 -16.513 1.00 0.00 C ATOM 0 H THR A 43 -6.106 -0.853 -13.668 1.00 0.00 H new ATOM 0 HA THR A 43 -6.093 -3.712 -13.975 1.00 0.00 H new ATOM 0 HB THR A 43 -5.008 -1.531 -15.776 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.159 -1.750 -16.755 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.420 -3.189 -17.547 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.269 -3.804 -16.338 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.958 -4.363 -16.323 1.00 0.00 H new ATOM 719 N SER A 44 -3.336 -2.049 -13.309 1.00 0.00 N ATOM 720 CA SER A 44 -1.974 -2.190 -12.840 1.00 0.00 C ATOM 721 C SER A 44 -1.965 -3.089 -11.590 1.00 0.00 C ATOM 722 O SER A 44 -1.103 -3.964 -11.443 1.00 0.00 O ATOM 723 CB SER A 44 -1.406 -0.808 -12.534 1.00 0.00 C ATOM 724 OG SER A 44 -1.638 0.064 -13.637 1.00 0.00 O ATOM 0 H SER A 44 -3.693 -1.094 -13.270 1.00 0.00 H new ATOM 0 HA SER A 44 -1.350 -2.655 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.872 -0.404 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.337 -0.880 -12.334 1.00 0.00 H new ATOM 0 HG SER A 44 -1.215 -0.305 -14.440 1.00 0.00 H new ATOM 730 N ILE A 45 -2.975 -2.879 -10.725 1.00 0.00 N ATOM 731 CA ILE A 45 -3.217 -3.702 -9.539 1.00 0.00 C ATOM 732 C ILE A 45 -3.335 -5.166 -9.959 1.00 0.00 C ATOM 733 O ILE A 45 -2.669 -6.034 -9.401 1.00 0.00 O ATOM 734 CB ILE A 45 -4.551 -3.268 -8.812 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.461 -1.847 -8.217 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.992 -4.271 -7.749 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.416 -1.674 -7.135 1.00 0.00 C ATOM 0 H ILE A 45 -3.650 -2.123 -10.837 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.383 -3.568 -8.850 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.317 -3.254 -9.588 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.249 -1.144 -9.023 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.435 -1.578 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.913 -3.924 -7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.165 -5.242 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.213 -4.365 -6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.428 -0.644 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.636 -2.347 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.431 -1.907 -7.540 1.00 0.00 H new ATOM 749 N ILE A 46 -4.147 -5.404 -10.988 1.00 0.00 N ATOM 750 CA ILE A 46 -4.411 -6.746 -11.504 1.00 0.00 C ATOM 751 C ILE A 46 -3.126 -7.501 -11.853 1.00 0.00 C ATOM 752 O ILE A 46 -2.956 -8.636 -11.412 1.00 0.00 O ATOM 753 CB ILE A 46 -5.376 -6.729 -12.732 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.732 -6.146 -12.322 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.551 -8.136 -13.322 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.740 -6.041 -13.449 1.00 0.00 C ATOM 0 H ILE A 46 -4.643 -4.667 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.905 -7.281 -10.693 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.936 -6.098 -13.505 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.155 -6.765 -11.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.574 -5.154 -11.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.228 -8.091 -14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.583 -8.517 -13.647 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.966 -8.800 -12.564 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.670 -5.618 -13.068 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.343 -5.396 -14.233 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.933 -7.033 -13.858 1.00 0.00 H new ATOM 768 N TYR A 47 -2.212 -6.864 -12.599 1.00 0.00 N ATOM 769 CA TYR A 47 -0.968 -7.536 -13.016 1.00 0.00 C ATOM 770 C TYR A 47 -0.191 -7.988 -11.792 1.00 0.00 C ATOM 771 O TYR A 47 0.143 -9.177 -11.643 1.00 0.00 O ATOM 772 CB TYR A 47 -0.041 -6.611 -13.813 1.00 0.00 C ATOM 773 CG TYR A 47 -0.670 -5.830 -14.928 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.382 -6.442 -15.950 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.519 -4.465 -14.964 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.927 -5.691 -16.973 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.056 -3.713 -15.968 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.759 -4.322 -16.972 1.00 0.00 C ATOM 779 OH TYR A 47 -2.297 -3.557 -17.980 1.00 0.00 O ATOM 0 H TYR A 47 -2.305 -5.901 -12.923 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.268 -8.375 -13.643 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.416 -5.906 -13.119 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.765 -7.214 -14.232 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.511 -7.514 -15.945 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.038 -3.975 -14.179 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.480 -6.171 -17.767 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.927 -2.641 -15.970 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.085 -2.613 -17.823 1.00 0.00 H new ATOM 789 N VAL A 48 0.036 -7.038 -10.903 1.00 0.00 N ATOM 790 CA VAL A 48 0.818 -7.231 -9.707 1.00 0.00 C ATOM 791 C VAL A 48 0.187 -8.266 -8.788 1.00 0.00 C ATOM 792 O VAL A 48 0.837 -9.229 -8.396 1.00 0.00 O ATOM 793 CB VAL A 48 0.980 -5.883 -8.969 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.830 -6.022 -7.708 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.580 -4.854 -9.916 1.00 0.00 C ATOM 0 H VAL A 48 -0.329 -6.091 -11.000 1.00 0.00 H new ATOM 0 HA VAL A 48 1.799 -7.606 -9.997 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.007 -5.548 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.919 -5.051 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.357 -6.729 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.822 -6.385 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.694 -3.903 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.555 -5.200 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.921 -4.721 -10.774 1.00 0.00 H new ATOM 805 N TYR A 49 -1.088 -8.115 -8.517 1.00 0.00 N ATOM 806 CA TYR A 49 -1.787 -9.015 -7.623 1.00 0.00 C ATOM 807 C TYR A 49 -1.866 -10.426 -8.193 1.00 0.00 C ATOM 808 O TYR A 49 -1.757 -11.387 -7.463 1.00 0.00 O ATOM 809 CB TYR A 49 -3.179 -8.471 -7.236 1.00 0.00 C ATOM 810 CG TYR A 49 -3.169 -7.272 -6.268 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.117 -6.352 -6.241 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.230 -7.059 -5.393 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.124 -5.272 -5.381 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.242 -5.978 -4.525 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.185 -5.089 -4.523 1.00 0.00 C ATOM 816 OH TYR A 49 -3.201 -4.002 -3.679 1.00 0.00 O ATOM 0 H TYR A 49 -1.669 -7.372 -8.905 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.203 -9.074 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.703 -8.178 -8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.754 -9.279 -6.783 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.279 -6.489 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.060 -7.749 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.300 -4.573 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.075 -5.832 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.784 -4.190 -2.914 1.00 0.00 H new ATOM 826 N SER A 50 -1.979 -10.540 -9.502 1.00 0.00 N ATOM 827 CA SER A 50 -2.042 -11.844 -10.143 1.00 0.00 C ATOM 828 C SER A 50 -0.665 -12.526 -10.193 1.00 0.00 C ATOM 829 O SER A 50 -0.568 -13.750 -10.304 1.00 0.00 O ATOM 830 CB SER A 50 -2.654 -11.727 -11.532 1.00 0.00 C ATOM 831 OG SER A 50 -3.944 -11.135 -11.450 1.00 0.00 O ATOM 0 H SER A 50 -2.029 -9.749 -10.144 1.00 0.00 H new ATOM 0 HA SER A 50 -2.687 -12.481 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.009 -11.125 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.727 -12.713 -11.990 1.00 0.00 H new ATOM 0 HG SER A 50 -3.853 -10.175 -11.275 1.00 0.00 H new ATOM 837 N SER A 51 0.386 -11.746 -10.098 1.00 0.00 N ATOM 838 CA SER A 51 1.726 -12.288 -10.113 1.00 0.00 C ATOM 839 C SER A 51 2.200 -12.526 -8.663 1.00 0.00 C ATOM 840 O SER A 51 3.234 -13.153 -8.407 1.00 0.00 O ATOM 841 CB SER A 51 2.662 -11.323 -10.862 1.00 0.00 C ATOM 842 OG SER A 51 3.964 -11.871 -11.048 1.00 0.00 O ATOM 0 H SER A 51 0.340 -10.731 -10.009 1.00 0.00 H new ATOM 0 HA SER A 51 1.739 -13.245 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.230 -11.081 -11.833 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.739 -10.389 -10.305 1.00 0.00 H new ATOM 0 HG SER A 51 4.178 -12.467 -10.300 1.00 0.00 H new ATOM 848 N HIS A 52 1.419 -12.044 -7.724 1.00 0.00 N ATOM 849 CA HIS A 52 1.730 -12.159 -6.306 1.00 0.00 C ATOM 850 C HIS A 52 0.536 -12.794 -5.578 1.00 0.00 C ATOM 851 O HIS A 52 0.345 -12.553 -4.408 1.00 0.00 O ATOM 852 CB HIS A 52 2.005 -10.751 -5.685 1.00 0.00 C ATOM 853 CG HIS A 52 3.277 -10.027 -6.120 1.00 0.00 C ATOM 854 ND1 HIS A 52 4.332 -9.795 -5.265 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.619 -9.417 -7.289 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.259 -9.084 -5.881 1.00 0.00 C ATOM 857 NE2 HIS A 52 4.851 -8.839 -7.113 1.00 0.00 N ATOM 0 H HIS A 52 0.544 -11.557 -7.917 1.00 0.00 H new ATOM 0 HA HIS A 52 2.620 -12.778 -6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.156 -10.109 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.034 -10.861 -4.601 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.389 -10.123 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.027 -9.393 -8.192 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.194 -8.758 -5.450 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.366 -8.309 -7.816 1.00 0.00 H new ATOM 866 N LEU A 53 -0.207 -13.663 -6.270 1.00 0.00 N ATOM 867 CA LEU A 53 -1.502 -14.207 -5.767 1.00 0.00 C ATOM 868 C LEU A 53 -1.496 -14.745 -4.356 1.00 0.00 C ATOM 869 O LEU A 53 -2.299 -14.310 -3.541 1.00 0.00 O ATOM 870 CB LEU A 53 -2.073 -15.277 -6.667 1.00 0.00 C ATOM 871 CG LEU A 53 -2.587 -14.838 -8.023 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.934 -16.047 -8.848 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.812 -13.950 -7.868 1.00 0.00 C ATOM 0 H LEU A 53 0.057 -14.016 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.130 -13.316 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.303 -16.032 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.892 -15.764 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.806 -14.267 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.303 -15.728 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.045 -16.664 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.705 -16.626 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.167 -13.645 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.599 -14.502 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.549 -13.066 -7.287 1.00 0.00 H new ATOM 885 N ASP A 54 -0.626 -15.700 -4.069 1.00 0.00 N ATOM 886 CA ASP A 54 -0.626 -16.340 -2.754 1.00 0.00 C ATOM 887 C ASP A 54 -0.324 -15.333 -1.681 1.00 0.00 C ATOM 888 O ASP A 54 -0.995 -15.291 -0.668 1.00 0.00 O ATOM 889 CB ASP A 54 0.345 -17.505 -2.667 1.00 0.00 C ATOM 890 CG ASP A 54 0.125 -18.310 -1.402 1.00 0.00 C ATOM 891 OD1 ASP A 54 -0.756 -19.207 -1.408 1.00 0.00 O ATOM 892 OD2 ASP A 54 0.786 -18.064 -0.394 1.00 0.00 O ATOM 0 H ASP A 54 0.082 -16.049 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.626 -16.746 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.222 -18.150 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.369 -17.131 -2.689 1.00 0.00 H new ATOM 897 N GLU A 55 0.666 -14.500 -1.952 1.00 0.00 N ATOM 898 CA GLU A 55 1.064 -13.397 -1.117 1.00 0.00 C ATOM 899 C GLU A 55 -0.144 -12.496 -0.821 1.00 0.00 C ATOM 900 O GLU A 55 -0.434 -12.179 0.342 1.00 0.00 O ATOM 901 CB GLU A 55 2.085 -12.636 -1.905 1.00 0.00 C ATOM 902 CG GLU A 55 2.588 -11.382 -1.296 1.00 0.00 C ATOM 903 CD GLU A 55 3.312 -10.594 -2.325 1.00 0.00 C ATOM 904 OE1 GLU A 55 4.322 -11.090 -2.872 1.00 0.00 O ATOM 905 OE2 GLU A 55 2.873 -9.524 -2.657 1.00 0.00 O ATOM 0 H GLU A 55 1.233 -14.583 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 55 1.462 -13.740 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.936 -13.293 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.656 -12.395 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.758 -10.801 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.252 -11.610 -0.462 1.00 0.00 H new ATOM 912 N ILE A 56 -0.834 -12.109 -1.885 1.00 0.00 N ATOM 913 CA ILE A 56 -2.040 -11.298 -1.802 1.00 0.00 C ATOM 914 C ILE A 56 -3.101 -12.010 -0.953 1.00 0.00 C ATOM 915 O ILE A 56 -3.717 -11.399 -0.102 1.00 0.00 O ATOM 916 CB ILE A 56 -2.625 -10.958 -3.221 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.593 -10.223 -4.097 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.908 -10.132 -3.126 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.063 -8.922 -3.526 1.00 0.00 C ATOM 0 H ILE A 56 -0.569 -12.352 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.765 -10.356 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.866 -11.911 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.751 -10.892 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.046 -10.016 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.279 -9.919 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.661 -10.692 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.700 -9.195 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.344 -8.486 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.889 -8.227 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.574 -9.116 -2.571 1.00 0.00 H new ATOM 931 N ARG A 57 -3.282 -13.311 -1.175 1.00 0.00 N ATOM 932 CA ARG A 57 -4.248 -14.088 -0.390 1.00 0.00 C ATOM 933 C ARG A 57 -3.855 -14.179 1.085 1.00 0.00 C ATOM 934 O ARG A 57 -4.733 -14.218 1.956 1.00 0.00 O ATOM 935 CB ARG A 57 -4.444 -15.490 -0.952 1.00 0.00 C ATOM 936 CG ARG A 57 -5.003 -15.525 -2.356 1.00 0.00 C ATOM 937 CD ARG A 57 -5.215 -16.950 -2.827 1.00 0.00 C ATOM 938 NE ARG A 57 -3.982 -17.747 -2.767 1.00 0.00 N ATOM 939 CZ ARG A 57 -3.447 -18.422 -3.796 1.00 0.00 C ATOM 940 NH1 ARG A 57 -3.991 -18.350 -5.004 1.00 0.00 N ATOM 941 NH2 ARG A 57 -2.352 -19.152 -3.614 1.00 0.00 N ATOM 0 H ARG A 57 -2.780 -13.847 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.192 -13.548 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.486 -16.010 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.114 -16.043 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.949 -14.985 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.321 -15.013 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.981 -17.423 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.589 -16.940 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.494 -17.791 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.822 -17.778 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.578 -18.866 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.918 -19.199 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.945 -19.665 -4.396 1.00 0.00 H new ATOM 955 N LYS A 58 -2.543 -14.223 1.362 1.00 0.00 N ATOM 956 CA LYS A 58 -2.035 -14.289 2.739 1.00 0.00 C ATOM 957 C LYS A 58 -2.559 -13.111 3.536 1.00 0.00 C ATOM 958 O LYS A 58 -3.062 -13.270 4.652 1.00 0.00 O ATOM 959 CB LYS A 58 -0.494 -14.242 2.804 1.00 0.00 C ATOM 960 CG LYS A 58 0.256 -15.332 2.061 1.00 0.00 C ATOM 961 CD LYS A 58 1.757 -15.145 2.242 1.00 0.00 C ATOM 962 CE LYS A 58 2.591 -16.105 1.401 1.00 0.00 C ATOM 963 NZ LYS A 58 2.299 -17.525 1.679 1.00 0.00 N ATOM 0 H LYS A 58 -1.814 -14.214 0.649 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.377 -15.239 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.167 -13.278 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.197 -14.279 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.045 -16.311 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.002 -15.303 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.022 -14.120 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.009 -15.282 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.411 -15.904 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.648 -15.915 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.191 -18.046 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.737 -17.600 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.763 -17.931 0.886 1.00 0.00 H new ATOM 977 N ASN A 59 -2.452 -11.934 2.956 1.00 0.00 N ATOM 978 CA ASN A 59 -2.875 -10.721 3.623 1.00 0.00 C ATOM 979 C ASN A 59 -3.815 -9.939 2.745 1.00 0.00 C ATOM 980 O ASN A 59 -3.510 -8.825 2.280 1.00 0.00 O ATOM 981 CB ASN A 59 -1.680 -9.867 4.083 1.00 0.00 C ATOM 982 CG ASN A 59 -0.842 -10.570 5.130 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.105 -10.473 6.330 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.157 -11.300 4.693 1.00 0.00 N ATOM 0 H ASN A 59 -2.074 -11.792 2.019 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.413 -11.007 4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.056 -9.626 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.045 -8.923 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.744 -11.809 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.347 -11.358 3.692 1.00 0.00 H new ATOM 991 N LYS A 60 -4.962 -10.536 2.505 1.00 0.00 N ATOM 992 CA LYS A 60 -5.957 -9.972 1.627 1.00 0.00 C ATOM 993 C LYS A 60 -6.545 -8.692 2.164 1.00 0.00 C ATOM 994 O LYS A 60 -6.841 -7.797 1.397 1.00 0.00 O ATOM 995 CB LYS A 60 -7.053 -10.989 1.263 1.00 0.00 C ATOM 996 CG LYS A 60 -7.746 -11.653 2.453 1.00 0.00 C ATOM 997 CD LYS A 60 -8.851 -12.602 1.995 1.00 0.00 C ATOM 998 CE LYS A 60 -10.063 -11.856 1.427 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.829 -11.135 2.476 1.00 0.00 N ATOM 0 H LYS A 60 -5.229 -11.430 2.917 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.435 -9.715 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.807 -10.485 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.612 -11.767 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.013 -12.203 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.168 -10.887 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.455 -13.277 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.169 -13.218 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.727 -11.144 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.720 -12.566 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.657 -10.675 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.145 -11.810 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.222 -10.414 2.916 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.675 -8.581 3.478 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.225 -7.394 4.064 1.00 0.00 C ATOM 1015 C GLU A 61 -6.315 -6.211 3.806 1.00 0.00 C ATOM 1016 O GLU A 61 -6.768 -5.159 3.354 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.458 -7.577 5.553 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.454 -8.670 5.898 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.781 -8.474 5.212 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.536 -7.566 5.602 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -10.096 -9.235 4.270 1.00 0.00 O ATOM 0 H GLU A 61 -6.405 -9.302 4.146 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.191 -7.199 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.506 -7.804 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.810 -6.635 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.040 -9.638 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.606 -8.692 6.977 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.028 -6.407 4.044 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.050 -5.364 3.829 1.00 0.00 C ATOM 1030 C PHE A 62 -3.992 -4.953 2.361 1.00 0.00 C ATOM 1031 O PHE A 62 -4.146 -3.770 2.034 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.661 -5.818 4.308 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.567 -4.834 3.987 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.440 -3.667 4.707 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.678 -5.079 2.949 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.453 -2.756 4.407 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.312 -4.173 2.644 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.426 -3.009 3.372 1.00 0.00 C ATOM 0 H PHE A 62 -4.639 -7.285 4.388 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.358 -4.496 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.691 -5.978 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.422 -6.778 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.124 -3.464 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.764 -5.990 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.366 -1.845 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.999 -4.374 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.201 -2.296 3.134 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.830 -5.930 1.484 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.689 -5.662 0.072 1.00 0.00 C ATOM 1050 C TYR A 63 -4.947 -5.095 -0.562 1.00 0.00 C ATOM 1051 O TYR A 63 -4.862 -4.304 -1.498 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.158 -6.872 -0.699 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.696 -7.195 -0.408 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.700 -6.259 -0.663 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.314 -8.426 0.101 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.632 -6.539 -0.419 1.00 0.00 C ATOM 1057 CE2 TYR A 63 0.016 -8.721 0.340 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.984 -7.771 0.078 1.00 0.00 C ATOM 1059 OH TYR A 63 2.307 -8.058 0.304 1.00 0.00 O ATOM 0 H TYR A 63 -3.793 -6.919 1.732 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.936 -4.877 -0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.768 -7.742 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.274 -6.690 -1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.973 -5.292 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.069 -9.169 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.390 -5.795 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.296 -9.689 0.729 1.00 0.00 H new ATOM 0 HH TYR A 63 2.787 -7.234 0.530 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.101 -5.459 -0.049 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.344 -4.932 -0.594 1.00 0.00 C ATOM 1071 C ASP A 64 -7.603 -3.517 -0.092 1.00 0.00 C ATOM 1072 O ASP A 64 -8.029 -2.640 -0.862 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.532 -5.845 -0.296 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.829 -5.302 -0.840 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -9.987 -5.212 -2.071 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.710 -4.941 -0.046 1.00 0.00 O ATOM 0 H ASP A 64 -6.211 -6.106 0.732 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.231 -4.895 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.346 -6.830 -0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.622 -5.979 0.782 1.00 0.00 H new ATOM 1081 N MET A 65 -7.316 -3.271 1.186 1.00 0.00 N ATOM 1082 CA MET A 65 -7.485 -1.940 1.744 1.00 0.00 C ATOM 1083 C MET A 65 -6.572 -0.944 1.088 1.00 0.00 C ATOM 1084 O MET A 65 -7.017 0.147 0.729 1.00 0.00 O ATOM 1085 CB MET A 65 -7.358 -1.898 3.273 1.00 0.00 C ATOM 1086 CG MET A 65 -8.520 -2.564 3.972 1.00 0.00 C ATOM 1087 SD MET A 65 -8.521 -2.367 5.774 1.00 0.00 S ATOM 1088 CE MET A 65 -7.108 -3.361 6.249 1.00 0.00 C ATOM 0 H MET A 65 -6.970 -3.970 1.843 1.00 0.00 H new ATOM 0 HA MET A 65 -8.513 -1.653 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.431 -2.388 3.570 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.289 -0.860 3.600 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.450 -2.157 3.574 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.510 -3.628 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.569 -2.865 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.449 -4.339 6.588 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.446 -3.485 5.392 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.313 -1.320 0.866 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.404 -0.406 0.203 1.00 0.00 C ATOM 1100 C ILE A 66 -4.843 -0.127 -1.225 1.00 0.00 C ATOM 1101 O ILE A 66 -4.792 0.999 -1.652 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.900 -0.809 0.233 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.650 -2.173 -0.404 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.372 -0.785 1.656 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.192 -2.443 -0.687 1.00 0.00 C ATOM 0 H ILE A 66 -4.915 -2.222 1.128 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.468 0.504 0.800 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.360 -0.073 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.035 -2.950 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.212 -2.239 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.320 -1.069 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.478 0.219 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.939 -1.488 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.086 -3.429 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.808 -1.687 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.628 -2.409 0.245 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.349 -1.150 -1.929 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.809 -1.001 -3.325 1.00 0.00 C ATOM 1119 C ALA A 67 -6.896 0.072 -3.443 1.00 0.00 C ATOM 1120 O ALA A 67 -6.968 0.803 -4.435 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.312 -2.331 -3.869 1.00 0.00 C ATOM 0 H ALA A 67 -5.452 -2.094 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.956 -0.680 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.646 -2.200 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.506 -3.064 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.144 -2.682 -3.259 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.710 0.175 -2.417 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.767 1.165 -2.353 1.00 0.00 C ATOM 1129 C GLU A 68 -8.131 2.567 -2.206 1.00 0.00 C ATOM 1130 O GLU A 68 -8.357 3.471 -3.032 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.663 0.843 -1.144 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.873 1.740 -0.975 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.847 1.636 -2.123 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.636 0.670 -2.168 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.872 2.527 -2.976 1.00 0.00 O ATOM 0 H GLU A 68 -7.659 -0.429 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.372 1.149 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.006 -0.188 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.058 0.902 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.384 1.481 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.542 2.774 -0.879 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.292 2.693 -1.189 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.599 3.943 -0.838 1.00 0.00 C ATOM 1144 C ILE A 69 -5.712 4.433 -1.995 1.00 0.00 C ATOM 1145 O ILE A 69 -5.714 5.627 -2.326 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.717 3.719 0.417 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.573 3.183 1.560 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.013 5.014 0.837 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -5.776 2.702 2.743 1.00 0.00 C ATOM 0 H ILE A 69 -7.063 1.918 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.356 4.700 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.947 2.987 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.256 3.967 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.186 2.362 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.402 4.826 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.377 5.363 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.758 5.775 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.454 2.336 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.112 1.896 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.184 3.526 3.142 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.977 3.503 -2.603 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.079 3.789 -3.721 1.00 0.00 C ATOM 1163 C LEU A 70 -4.793 4.517 -4.835 1.00 0.00 C ATOM 1164 O LEU A 70 -4.362 5.569 -5.251 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.439 2.498 -4.259 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.480 1.771 -3.306 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -2.111 0.406 -3.850 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.227 2.592 -3.084 1.00 0.00 C ATOM 0 H LEU A 70 -4.988 2.520 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.291 4.439 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.237 1.809 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.897 2.739 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.991 1.640 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.431 -0.090 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.013 -0.195 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.624 0.520 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.559 2.061 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.723 2.752 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.495 3.555 -2.649 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.910 3.981 -5.271 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.670 4.580 -6.366 1.00 0.00 C ATOM 1182 C GLN A 71 -7.225 5.951 -5.958 1.00 0.00 C ATOM 1183 O GLN A 71 -7.129 6.948 -6.717 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.806 3.649 -6.768 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.340 2.278 -7.212 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.484 1.350 -7.512 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -8.972 1.282 -8.641 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.911 0.614 -6.524 1.00 0.00 N ATOM 0 H GLN A 71 -6.321 3.129 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.004 4.725 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.487 3.536 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.373 4.110 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.717 2.380 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.716 1.840 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.482 0.698 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.674 -0.046 -6.673 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.747 5.998 -4.748 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.362 7.151 -4.177 1.00 0.00 C ATOM 1199 C ARG A 72 -7.383 8.332 -4.084 1.00 0.00 C ATOM 1200 O ARG A 72 -7.685 9.441 -4.525 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.862 6.730 -2.807 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.420 7.811 -1.947 1.00 0.00 C ATOM 1203 CD ARG A 72 -9.920 7.223 -0.652 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.115 6.400 -0.844 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.578 5.474 0.012 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.943 5.206 1.156 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.692 4.824 -0.283 1.00 0.00 N ATOM 0 H ARG A 72 -7.747 5.194 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.183 7.504 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.631 5.969 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.038 6.258 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.654 8.560 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.234 8.318 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.133 6.618 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.144 8.028 0.048 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.643 6.542 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.088 5.709 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.313 4.499 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.187 5.029 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.055 4.118 0.357 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.210 8.088 -3.556 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.256 9.154 -3.369 1.00 0.00 C ATOM 1223 C TYR A 73 -4.295 9.349 -4.541 1.00 0.00 C ATOM 1224 O TYR A 73 -3.651 10.400 -4.631 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.542 9.070 -2.014 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.455 9.387 -0.842 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -5.615 10.700 -0.400 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -6.172 8.392 -0.196 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -6.465 11.002 0.651 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -7.015 8.690 0.856 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.159 9.993 1.272 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.022 10.294 2.303 1.00 0.00 O ATOM 0 H TYR A 73 -5.893 7.168 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.850 10.068 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.132 8.068 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.700 9.762 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.067 11.494 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.070 7.367 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.581 12.024 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.561 7.901 1.352 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.752 9.641 2.320 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.200 8.376 -5.457 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.338 8.550 -6.642 1.00 0.00 C ATOM 1244 C TYR A 74 -3.903 9.663 -7.519 1.00 0.00 C ATOM 1245 O TYR A 74 -3.159 10.391 -8.170 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.124 7.217 -7.443 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.750 7.152 -8.840 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -5.075 6.797 -9.018 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -3.004 7.459 -9.973 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -5.642 6.745 -10.274 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -3.567 7.416 -11.238 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.886 7.056 -11.381 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.468 7.030 -12.636 1.00 0.00 O ATOM 0 H TYR A 74 -4.692 7.484 -5.408 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.344 8.838 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.052 7.046 -7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.525 6.395 -6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.678 6.555 -8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.966 7.736 -9.864 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.678 6.461 -10.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.974 7.664 -12.106 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.801 7.275 -13.311 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.233 9.797 -7.518 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.876 10.887 -8.247 1.00 0.00 C ATOM 1265 C LYS A 75 -5.668 12.223 -7.551 1.00 0.00 C ATOM 1266 O LYS A 75 -5.719 13.268 -8.182 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.389 10.663 -8.401 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.811 9.595 -9.392 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.330 9.917 -10.797 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.972 9.009 -11.829 1.00 0.00 C ATOM 1271 NZ LYS A 75 -7.393 9.206 -13.170 1.00 0.00 N ATOM 0 H LYS A 75 -5.874 9.173 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.408 10.903 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.798 10.405 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.846 11.607 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.410 8.630 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.897 9.504 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.561 10.956 -11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.246 9.813 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.844 7.969 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.044 9.201 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.123 9.037 -13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.040 10.181 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.607 8.540 -13.310 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.428 12.191 -6.265 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.377 13.419 -5.513 1.00 0.00 C ATOM 1287 C LYS A 76 -3.965 13.932 -5.285 1.00 0.00 C ATOM 1288 O LYS A 76 -3.667 15.082 -5.606 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.145 13.274 -4.195 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.621 12.972 -4.411 1.00 0.00 C ATOM 1291 CD LYS A 76 -8.414 12.924 -3.117 1.00 0.00 C ATOM 1292 CE LYS A 76 -9.888 12.725 -3.430 1.00 0.00 C ATOM 1293 NZ LYS A 76 -10.765 12.807 -2.239 1.00 0.00 N ATOM 0 H LYS A 76 -5.267 11.342 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.867 14.179 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.697 12.476 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.046 14.193 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.049 13.732 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.719 12.016 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.053 12.111 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.272 13.848 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.202 13.477 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.022 11.752 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.754 12.662 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.492 12.072 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.666 13.744 -1.799 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.089 13.103 -4.781 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.748 13.568 -4.468 1.00 0.00 C ATOM 1309 C ILE A 77 -0.699 12.979 -5.393 1.00 0.00 C ATOM 1310 O ILE A 77 0.311 13.609 -5.662 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.370 13.337 -2.976 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.532 11.855 -2.582 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.213 14.237 -2.073 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.164 11.547 -1.143 1.00 0.00 C ATOM 0 H ILE A 77 -3.267 12.119 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.762 14.645 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.320 13.598 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.567 11.557 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.913 11.246 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.940 14.066 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.033 15.281 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.269 14.006 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.307 10.484 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.120 11.810 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.800 12.126 -0.473 1.00 0.00 H new ATOM 1326 N GLY A 78 -0.951 11.794 -5.881 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.021 11.152 -6.775 1.00 0.00 C ATOM 1328 C GLY A 78 0.388 9.819 -6.228 1.00 0.00 C ATOM 1329 O GLY A 78 0.473 9.656 -5.002 1.00 0.00 O ATOM 0 H GLY A 78 -1.791 11.253 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.478 11.026 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.858 11.782 -6.911 1.00 0.00 H new ATOM 1333 N ILE A 79 0.653 8.868 -7.105 1.00 0.00 N ATOM 1334 CA ILE A 79 0.979 7.510 -6.688 1.00 0.00 C ATOM 1335 C ILE A 79 2.289 7.463 -5.882 1.00 0.00 C ATOM 1336 O ILE A 79 2.378 6.728 -4.910 1.00 0.00 O ATOM 1337 CB ILE A 79 1.007 6.496 -7.893 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.283 5.053 -7.421 1.00 0.00 C ATOM 1339 CG2 ILE A 79 2.008 6.909 -8.970 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.209 4.479 -6.511 1.00 0.00 C ATOM 0 H ILE A 79 0.650 9.009 -8.115 1.00 0.00 H new ATOM 0 HA ILE A 79 0.173 7.188 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 79 0.012 6.522 -8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.385 4.410 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.238 5.031 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.992 6.180 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.739 7.891 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.009 6.951 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.480 3.463 -6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.122 5.096 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.745 4.466 -7.038 1.00 0.00 H new ATOM 1352 N GLU A 80 3.253 8.305 -6.246 1.00 0.00 N ATOM 1353 CA GLU A 80 4.567 8.364 -5.580 1.00 0.00 C ATOM 1354 C GLU A 80 4.389 8.707 -4.111 1.00 0.00 C ATOM 1355 O GLU A 80 5.038 8.147 -3.218 1.00 0.00 O ATOM 1356 CB GLU A 80 5.457 9.466 -6.176 1.00 0.00 C ATOM 1357 CG GLU A 80 5.481 9.583 -7.688 1.00 0.00 C ATOM 1358 CD GLU A 80 4.329 10.418 -8.191 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.240 9.877 -8.414 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.493 11.648 -8.316 1.00 0.00 O ATOM 0 H GLU A 80 3.152 8.971 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 80 5.031 7.388 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.133 10.423 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.478 9.301 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.423 10.030 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.434 8.589 -8.133 1.00 0.00 H new ATOM 1367 N ASN A 81 3.545 9.670 -3.886 1.00 0.00 N ATOM 1368 CA ASN A 81 3.231 10.153 -2.556 1.00 0.00 C ATOM 1369 C ASN A 81 2.556 9.079 -1.743 1.00 0.00 C ATOM 1370 O ASN A 81 2.937 8.829 -0.601 1.00 0.00 O ATOM 1371 CB ASN A 81 2.345 11.399 -2.624 1.00 0.00 C ATOM 1372 CG ASN A 81 3.025 12.564 -3.303 1.00 0.00 C ATOM 1373 OD1 ASN A 81 2.938 12.720 -4.514 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.721 13.373 -2.544 1.00 0.00 N ATOM 0 H ASN A 81 3.042 10.156 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 81 4.168 10.421 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.427 11.158 -3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.057 11.690 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.213 14.164 -2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.771 13.212 -1.538 1.00 0.00 H new ATOM 1381 N VAL A 82 1.584 8.406 -2.346 1.00 0.00 N ATOM 1382 CA VAL A 82 0.850 7.349 -1.657 1.00 0.00 C ATOM 1383 C VAL A 82 1.786 6.169 -1.372 1.00 0.00 C ATOM 1384 O VAL A 82 1.727 5.568 -0.308 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.386 6.860 -2.464 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.233 5.911 -1.634 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.227 8.030 -2.927 1.00 0.00 C ATOM 0 H VAL A 82 1.285 8.571 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 82 0.480 7.768 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.019 6.326 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.092 5.583 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.636 5.045 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.581 6.423 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.085 7.661 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.575 8.593 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.627 8.679 -3.565 1.00 0.00 H new ATOM 1397 N ASN A 83 2.668 5.891 -2.326 1.00 0.00 N ATOM 1398 CA ASN A 83 3.695 4.834 -2.231 1.00 0.00 C ATOM 1399 C ASN A 83 4.502 5.022 -0.937 1.00 0.00 C ATOM 1400 O ASN A 83 4.611 4.115 -0.106 1.00 0.00 O ATOM 1401 CB ASN A 83 4.620 4.945 -3.487 1.00 0.00 C ATOM 1402 CG ASN A 83 5.736 3.901 -3.623 1.00 0.00 C ATOM 1403 OD1 ASN A 83 6.283 3.391 -2.644 1.00 0.00 O ATOM 1404 ND2 ASN A 83 6.106 3.605 -4.859 1.00 0.00 N ATOM 0 H ASN A 83 2.698 6.399 -3.210 1.00 0.00 H new ATOM 0 HA ASN A 83 3.237 3.845 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.992 4.888 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.079 5.934 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.862 2.939 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.635 4.043 -5.651 1.00 0.00 H new ATOM 1411 N GLN A 84 4.969 6.236 -0.734 1.00 0.00 N ATOM 1412 CA GLN A 84 5.770 6.579 0.430 1.00 0.00 C ATOM 1413 C GLN A 84 4.895 6.475 1.697 1.00 0.00 C ATOM 1414 O GLN A 84 5.309 5.908 2.722 1.00 0.00 O ATOM 1415 CB GLN A 84 6.296 8.014 0.261 1.00 0.00 C ATOM 1416 CG GLN A 84 7.582 8.381 1.035 1.00 0.00 C ATOM 1417 CD GLN A 84 7.492 8.229 2.542 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.085 9.146 3.257 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.922 7.105 3.041 1.00 0.00 N ATOM 0 H GLN A 84 4.806 7.016 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 84 6.613 5.895 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.477 8.186 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.508 8.703 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.398 7.756 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.844 9.414 0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.252 6.365 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.928 6.965 4.051 1.00 0.00 H new ATOM 1428 N LEU A 85 3.685 6.997 1.614 1.00 0.00 N ATOM 1429 CA LEU A 85 2.769 7.000 2.745 1.00 0.00 C ATOM 1430 C LEU A 85 2.423 5.589 3.208 1.00 0.00 C ATOM 1431 O LEU A 85 2.471 5.313 4.402 1.00 0.00 O ATOM 1432 CB LEU A 85 1.507 7.818 2.449 1.00 0.00 C ATOM 1433 CG LEU A 85 1.733 9.318 2.192 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.424 10.013 1.878 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.418 9.979 3.382 1.00 0.00 C ATOM 0 H LEU A 85 3.310 7.428 0.769 1.00 0.00 H new ATOM 0 HA LEU A 85 3.290 7.487 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.013 7.389 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.821 7.711 3.289 1.00 0.00 H new ATOM 0 HG LEU A 85 2.389 9.414 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.608 11.072 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.020 9.567 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.259 9.900 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.566 11.039 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.795 9.867 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.384 9.505 3.555 1.00 0.00 H new ATOM 1447 N ILE A 86 2.138 4.690 2.274 1.00 0.00 N ATOM 1448 CA ILE A 86 1.806 3.299 2.607 1.00 0.00 C ATOM 1449 C ILE A 86 2.999 2.614 3.288 1.00 0.00 C ATOM 1450 O ILE A 86 2.830 1.854 4.252 1.00 0.00 O ATOM 1451 CB ILE A 86 1.331 2.485 1.359 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.050 3.101 0.752 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.103 1.008 1.696 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.140 3.166 1.701 1.00 0.00 C ATOM 0 H ILE A 86 2.129 4.895 1.275 1.00 0.00 H new ATOM 0 HA ILE A 86 0.968 3.322 3.303 1.00 0.00 H new ATOM 0 HB ILE A 86 2.129 2.538 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.277 4.110 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.235 2.521 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.774 0.478 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.033 0.569 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.339 0.925 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.991 3.612 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.400 2.159 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.881 3.773 2.568 1.00 0.00 H new ATOM 1466 N LEU A 87 4.197 2.930 2.825 1.00 0.00 N ATOM 1467 CA LEU A 87 5.413 2.407 3.436 1.00 0.00 C ATOM 1468 C LEU A 87 5.528 2.880 4.877 1.00 0.00 C ATOM 1469 O LEU A 87 5.796 2.101 5.790 1.00 0.00 O ATOM 1470 CB LEU A 87 6.636 2.836 2.632 1.00 0.00 C ATOM 1471 CG LEU A 87 6.744 2.237 1.241 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.982 2.742 0.542 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.761 0.726 1.321 1.00 0.00 C ATOM 0 H LEU A 87 4.356 3.546 2.028 1.00 0.00 H new ATOM 0 HA LEU A 87 5.363 1.318 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.628 3.922 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.531 2.570 3.194 1.00 0.00 H new ATOM 0 HG LEU A 87 5.873 2.545 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.043 2.302 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.934 3.828 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.864 2.462 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.839 0.309 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.616 0.403 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.841 0.376 1.789 1.00 0.00 H new ATOM 1485 N THR A 88 5.268 4.144 5.067 1.00 0.00 N ATOM 1486 CA THR A 88 5.293 4.758 6.371 1.00 0.00 C ATOM 1487 C THR A 88 4.188 4.145 7.269 1.00 0.00 C ATOM 1488 O THR A 88 4.371 3.975 8.465 1.00 0.00 O ATOM 1489 CB THR A 88 5.118 6.283 6.233 1.00 0.00 C ATOM 1490 OG1 THR A 88 6.049 6.757 5.239 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.409 6.989 7.549 1.00 0.00 C ATOM 0 H THR A 88 5.029 4.787 4.312 1.00 0.00 H new ATOM 0 HA THR A 88 6.256 4.566 6.844 1.00 0.00 H new ATOM 0 HB THR A 88 4.088 6.496 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.689 6.583 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.278 8.064 7.422 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.723 6.628 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.435 6.782 7.854 1.00 0.00 H new ATOM 1499 N THR A 89 3.071 3.776 6.644 1.00 0.00 N ATOM 1500 CA THR A 89 1.927 3.191 7.319 1.00 0.00 C ATOM 1501 C THR A 89 2.305 1.898 8.052 1.00 0.00 C ATOM 1502 O THR A 89 1.947 1.715 9.221 1.00 0.00 O ATOM 1503 CB THR A 89 0.802 2.888 6.308 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.464 4.075 5.610 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.437 2.366 7.001 1.00 0.00 C ATOM 0 H THR A 89 2.939 3.879 5.638 1.00 0.00 H new ATOM 0 HA THR A 89 1.578 3.918 8.053 1.00 0.00 H new ATOM 0 HB THR A 89 1.166 2.125 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.230 4.368 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.210 2.163 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.195 1.447 7.535 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.800 3.112 7.708 1.00 0.00 H new ATOM 1513 N ILE A 90 3.051 1.033 7.382 1.00 0.00 N ATOM 1514 CA ILE A 90 3.433 -0.244 7.967 1.00 0.00 C ATOM 1515 C ILE A 90 4.640 -0.110 8.879 1.00 0.00 C ATOM 1516 O ILE A 90 5.032 -1.068 9.565 1.00 0.00 O ATOM 1517 CB ILE A 90 3.679 -1.334 6.906 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.763 -0.897 5.910 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.377 -1.663 6.195 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.108 -1.939 4.876 1.00 0.00 C ATOM 0 H ILE A 90 3.403 1.190 6.438 1.00 0.00 H new ATOM 0 HA ILE A 90 2.582 -0.561 8.570 1.00 0.00 H new ATOM 0 HB ILE A 90 4.040 -2.235 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.430 0.007 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.666 -0.637 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.556 -2.434 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.648 -2.024 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.992 -0.767 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.881 -1.551 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.474 -2.837 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.219 -2.183 4.294 1.00 0.00 H new