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= -0.161 X(o=1.1,f=1.1) USER MOD Set 1.2: A 88 THR OG1 : rot 70:sc= 1.27 USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0.776 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -151:sc= 0.924 (180deg=0.00325) USER MOD Set 3.1: A 73 TYR OH : rot 152:sc= 0.654 USER MOD Set 3.2: A 76 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.187) USER MOD Set 4.1: A 20 ASN : amide:sc= 0.731 K(o=1.1,f=-7!) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.407 K(o=1.1,f=0.35) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0539 (180deg=-0.325) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.111 F(o=-1.2,f=-0.11) USER MOD Single : A 25 MET CE :methyl 144:sc= -0.173 (180deg=-0.781) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5) 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 -69:sc= 1.23 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-7.1!) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.01 (180deg=-0.725!) USER MOD Single : A 59 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.55) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -90:sc= -1.02 USER MOD Single : A 65 MET CE :methyl 175:sc= -1.09 (180deg=-1.16) USER MOD Single : A 71 GLN : amide:sc= -0.465 K(o=-0.46,f=-5!) USER MOD Single : A 81 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.4!) USER MOD Single : A 83 ASN : amide:sc= 0.258 K(o=0.26,f=-2.2!) USER MOD Single : A 89 THR OG1 : rot 69:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.688 9.467 5.678 1.00 0.00 N ATOM 85 CA ASP A 6 -9.373 8.236 5.325 1.00 0.00 C ATOM 86 C ASP A 6 -9.296 7.224 6.471 1.00 0.00 C ATOM 87 O ASP A 6 -8.197 6.945 6.995 1.00 0.00 O ATOM 88 CB ASP A 6 -8.780 7.633 4.049 1.00 0.00 C ATOM 89 CG ASP A 6 -9.628 6.508 3.506 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.508 5.376 3.980 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.445 6.764 2.588 1.00 0.00 O ATOM 0 HA ASP A 6 -10.421 8.475 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.683 8.411 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.776 7.262 4.256 1.00 0.00 H new ATOM 96 N PRO A 7 -10.454 6.678 6.902 1.00 0.00 N ATOM 97 CA PRO A 7 -10.524 5.708 8.000 1.00 0.00 C ATOM 98 C PRO A 7 -9.763 4.412 7.723 1.00 0.00 C ATOM 99 O PRO A 7 -9.259 3.783 8.647 1.00 0.00 O ATOM 100 CB PRO A 7 -12.019 5.407 8.140 1.00 0.00 C ATOM 101 CG PRO A 7 -12.706 6.543 7.477 1.00 0.00 C ATOM 102 CD PRO A 7 -11.799 6.981 6.370 1.00 0.00 C ATOM 0 HA PRO A 7 -10.063 6.119 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.276 4.460 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.309 5.328 9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.678 6.239 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.884 7.356 8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.999 6.439 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.916 8.042 6.149 1.00 0.00 H new ATOM 110 N GLU A 8 -9.630 4.033 6.465 1.00 0.00 N ATOM 111 CA GLU A 8 -8.986 2.773 6.145 1.00 0.00 C ATOM 112 C GLU A 8 -7.488 2.887 6.396 1.00 0.00 C ATOM 113 O GLU A 8 -6.844 1.931 6.827 1.00 0.00 O ATOM 114 CB GLU A 8 -9.262 2.358 4.698 1.00 0.00 C ATOM 115 CG GLU A 8 -10.740 2.296 4.335 1.00 0.00 C ATOM 116 CD GLU A 8 -11.534 1.311 5.154 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.069 1.686 6.213 1.00 0.00 O ATOM 118 OE2 GLU A 8 -11.689 0.146 4.721 1.00 0.00 O ATOM 0 H GLU A 8 -9.953 4.570 5.660 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.400 1.998 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.765 3.061 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.815 1.380 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.175 3.288 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.834 2.035 3.281 1.00 0.00 H new ATOM 125 N PHE A 9 -6.961 4.079 6.188 1.00 0.00 N ATOM 126 CA PHE A 9 -5.548 4.345 6.394 1.00 0.00 C ATOM 127 C PHE A 9 -5.196 4.233 7.881 1.00 0.00 C ATOM 128 O PHE A 9 -4.190 3.609 8.252 1.00 0.00 O ATOM 129 CB PHE A 9 -5.179 5.731 5.846 1.00 0.00 C ATOM 130 CG PHE A 9 -3.710 6.051 5.914 1.00 0.00 C ATOM 131 CD1 PHE A 9 -2.855 5.627 4.915 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.184 6.778 6.971 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.511 5.923 4.962 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.838 7.074 7.024 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.000 6.646 6.018 1.00 0.00 C ATOM 0 H PHE A 9 -7.497 4.888 5.873 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.968 3.599 5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.506 5.798 4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.730 6.488 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.246 5.056 4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.836 7.117 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.857 5.588 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.441 7.641 7.853 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.054 6.876 6.057 1.00 0.00 H new ATOM 145 N VAL A 10 -6.038 4.804 8.738 1.00 0.00 N ATOM 146 CA VAL A 10 -5.798 4.728 10.169 1.00 0.00 C ATOM 147 C VAL A 10 -5.958 3.273 10.650 1.00 0.00 C ATOM 148 O VAL A 10 -5.256 2.817 11.560 1.00 0.00 O ATOM 149 CB VAL A 10 -6.653 5.740 11.019 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.137 5.422 11.012 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.120 5.843 12.442 1.00 0.00 C ATOM 0 H VAL A 10 -6.878 5.316 8.469 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.768 5.044 10.337 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.548 6.712 10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.669 6.157 11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.511 5.454 9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.298 4.427 11.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.728 6.548 13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.162 4.863 12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.087 6.191 12.419 1.00 0.00 H new ATOM 161 N LYS A 11 -6.880 2.545 10.028 1.00 0.00 N ATOM 162 CA LYS A 11 -7.050 1.131 10.313 1.00 0.00 C ATOM 163 C LYS A 11 -5.803 0.362 9.960 1.00 0.00 C ATOM 164 O LYS A 11 -5.379 -0.474 10.720 1.00 0.00 O ATOM 165 CB LYS A 11 -8.227 0.529 9.576 1.00 0.00 C ATOM 166 CG LYS A 11 -9.559 1.046 10.013 1.00 0.00 C ATOM 167 CD LYS A 11 -10.667 0.335 9.281 1.00 0.00 C ATOM 168 CE LYS A 11 -12.023 0.818 9.729 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.251 0.595 11.174 1.00 0.00 N ATOM 0 H LYS A 11 -7.519 2.914 9.324 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.245 1.055 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.109 0.720 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.209 -0.553 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.676 0.905 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.620 2.118 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.558 0.496 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.587 -0.739 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.118 1.881 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.796 0.304 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.266 0.684 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.927 -0.358 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.721 1.302 11.722 1.00 0.00 H new ATOM 183 N LEU A 12 -5.203 0.673 8.821 1.00 0.00 N ATOM 184 CA LEU A 12 -3.976 0.004 8.385 1.00 0.00 C ATOM 185 C LEU A 12 -2.856 0.169 9.404 1.00 0.00 C ATOM 186 O LEU A 12 -2.061 -0.740 9.609 1.00 0.00 O ATOM 187 CB LEU A 12 -3.525 0.504 7.025 1.00 0.00 C ATOM 188 CG LEU A 12 -4.410 0.162 5.842 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.858 0.814 4.600 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.493 -1.344 5.651 1.00 0.00 C ATOM 0 H LEU A 12 -5.544 1.386 8.176 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.207 -1.058 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.431 1.589 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.529 0.106 6.830 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.416 0.536 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.493 0.570 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.834 1.895 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.847 0.449 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.133 -1.568 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.495 -1.744 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.911 -1.802 6.547 1.00 0.00 H new ATOM 202 N ARG A 13 -2.818 1.322 10.053 1.00 0.00 N ATOM 203 CA ARG A 13 -1.848 1.586 11.119 1.00 0.00 C ATOM 204 C ARG A 13 -2.082 0.643 12.298 1.00 0.00 C ATOM 205 O ARG A 13 -1.145 0.244 12.989 1.00 0.00 O ATOM 206 CB ARG A 13 -1.939 3.045 11.579 1.00 0.00 C ATOM 207 CG ARG A 13 -1.433 4.053 10.559 1.00 0.00 C ATOM 208 CD ARG A 13 0.084 3.982 10.419 1.00 0.00 C ATOM 209 NE ARG A 13 0.772 4.380 11.662 1.00 0.00 N ATOM 210 CZ ARG A 13 2.069 4.139 11.949 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.781 3.281 11.207 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.625 4.699 13.029 1.00 0.00 N ATOM 0 H ARG A 13 -3.450 2.099 9.862 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.847 1.409 10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.978 3.275 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.368 3.160 12.501 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.899 3.862 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.726 5.058 10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.376 2.967 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.404 4.631 9.604 1.00 0.00 H new ATOM 0 HE ARG A 13 0.222 4.878 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.344 2.804 10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.760 3.104 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.069 5.306 13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.605 4.519 13.249 1.00 0.00 H new ATOM 226 N GLN A 14 -3.332 0.285 12.501 1.00 0.00 N ATOM 227 CA GLN A 14 -3.729 -0.639 13.550 1.00 0.00 C ATOM 228 C GLN A 14 -3.462 -2.088 13.115 1.00 0.00 C ATOM 229 O GLN A 14 -3.061 -2.923 13.923 1.00 0.00 O ATOM 230 CB GLN A 14 -5.197 -0.418 13.899 1.00 0.00 C ATOM 231 CG GLN A 14 -5.465 0.968 14.462 1.00 0.00 C ATOM 232 CD GLN A 14 -6.932 1.254 14.652 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.541 1.881 13.679 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.501 0.955 15.694 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.111 0.629 11.939 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.135 -0.452 14.444 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.805 -0.567 13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.510 -1.167 14.626 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.954 1.070 15.419 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.039 1.715 13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.992 0.466 16.431 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.484 1.195 15.826 1.00 0.00 H new ATOM 314 N VAL A 19 3.235 -8.131 7.005 1.00 0.00 N ATOM 315 CA VAL A 19 3.524 -8.287 5.598 1.00 0.00 C ATOM 316 C VAL A 19 5.015 -8.202 5.391 1.00 0.00 C ATOM 317 O VAL A 19 5.758 -7.868 6.319 1.00 0.00 O ATOM 318 CB VAL A 19 2.863 -7.150 4.751 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.356 -7.241 4.771 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.306 -5.777 5.254 1.00 0.00 C ATOM 0 HA VAL A 19 3.128 -9.251 5.279 1.00 0.00 H new ATOM 0 HB VAL A 19 3.196 -7.280 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.935 -6.434 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.044 -8.201 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.000 -7.154 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.835 -5.000 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.009 -5.658 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.390 -5.692 5.173 1.00 0.00 H new ATOM 330 N ASN A 20 5.461 -8.532 4.215 1.00 0.00 N ATOM 331 CA ASN A 20 6.851 -8.339 3.878 1.00 0.00 C ATOM 332 C ASN A 20 6.975 -6.934 3.365 1.00 0.00 C ATOM 333 O ASN A 20 6.433 -6.620 2.299 1.00 0.00 O ATOM 334 CB ASN A 20 7.287 -9.279 2.767 1.00 0.00 C ATOM 335 CG ASN A 20 8.788 -9.303 2.521 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.496 -8.306 2.728 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.278 -10.420 2.057 1.00 0.00 N ATOM 0 H ASN A 20 4.890 -8.935 3.472 1.00 0.00 H new ATOM 0 HA ASN A 20 7.470 -8.531 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.954 -10.288 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.784 -8.990 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.274 -10.494 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.664 -11.219 1.899 1.00 0.00 H new ATOM 344 N PHE A 21 7.671 -6.098 4.102 1.00 0.00 N ATOM 345 CA PHE A 21 7.892 -4.704 3.731 1.00 0.00 C ATOM 346 C PHE A 21 8.463 -4.594 2.330 1.00 0.00 C ATOM 347 O PHE A 21 8.069 -3.727 1.547 1.00 0.00 O ATOM 348 CB PHE A 21 8.862 -4.033 4.723 1.00 0.00 C ATOM 349 CG PHE A 21 9.295 -2.649 4.299 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.495 -1.555 4.537 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.498 -2.461 3.627 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.873 -0.301 4.118 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.883 -1.211 3.211 1.00 0.00 C ATOM 354 CZ PHE A 21 10.068 -0.130 3.453 1.00 0.00 C ATOM 0 H PHE A 21 8.107 -6.362 4.986 1.00 0.00 H new ATOM 0 HA PHE A 21 6.927 -4.199 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.385 -3.972 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.745 -4.662 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.558 -1.683 5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.137 -3.309 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.234 0.549 4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.823 -1.077 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.365 0.854 3.122 1.00 0.00 H new ATOM 364 N ASN A 22 9.317 -5.529 1.994 1.00 0.00 N ATOM 365 CA ASN A 22 10.063 -5.452 0.755 1.00 0.00 C ATOM 366 C ASN A 22 9.168 -5.772 -0.388 1.00 0.00 C ATOM 367 O ASN A 22 9.251 -5.164 -1.455 1.00 0.00 O ATOM 368 CB ASN A 22 11.262 -6.399 0.757 1.00 0.00 C ATOM 369 CG ASN A 22 12.240 -6.119 1.864 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.141 -5.290 1.713 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.121 -6.838 2.953 1.00 0.00 N ATOM 0 H ASN A 22 9.515 -6.354 2.559 1.00 0.00 H new ATOM 0 HA ASN A 22 10.443 -4.435 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.905 -7.425 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.777 -6.324 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.788 -6.723 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.361 -7.513 3.038 1.00 0.00 H new ATOM 378 N LEU A 23 8.262 -6.679 -0.142 1.00 0.00 N ATOM 379 CA LEU A 23 7.361 -7.097 -1.154 1.00 0.00 C ATOM 380 C LEU A 23 6.282 -6.052 -1.357 1.00 0.00 C ATOM 381 O LEU A 23 5.933 -5.769 -2.477 1.00 0.00 O ATOM 382 CB LEU A 23 6.784 -8.476 -0.855 1.00 0.00 C ATOM 383 CG LEU A 23 5.926 -9.101 -1.957 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.678 -9.114 -3.273 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.569 -10.510 -1.579 1.00 0.00 C ATOM 0 H LEU A 23 8.137 -7.139 0.760 1.00 0.00 H new ATOM 0 HA LEU A 23 7.910 -7.193 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.610 -9.153 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.182 -8.407 0.051 1.00 0.00 H new ATOM 0 HG LEU A 23 5.020 -8.506 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.052 -9.562 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.930 -8.093 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.593 -9.697 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.958 -10.954 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.480 -11.095 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.010 -10.505 -0.644 1.00 0.00 H new ATOM 397 N VAL A 24 5.800 -5.439 -0.265 1.00 0.00 N ATOM 398 CA VAL A 24 4.797 -4.360 -0.370 1.00 0.00 C ATOM 399 C VAL A 24 5.399 -3.196 -1.138 1.00 0.00 C ATOM 400 O VAL A 24 4.750 -2.598 -2.002 1.00 0.00 O ATOM 401 CB VAL A 24 4.317 -3.855 1.019 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.279 -2.743 0.878 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.744 -4.990 1.827 1.00 0.00 C ATOM 0 H VAL A 24 6.081 -5.665 0.689 1.00 0.00 H new ATOM 0 HA VAL A 24 3.930 -4.768 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 24 5.185 -3.450 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.964 -2.412 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.716 -1.904 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.416 -3.119 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.414 -4.616 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.896 -5.422 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.508 -5.754 1.974 1.00 0.00 H new ATOM 413 N MET A 25 6.661 -2.914 -0.841 1.00 0.00 N ATOM 414 CA MET A 25 7.401 -1.881 -1.531 1.00 0.00 C ATOM 415 C MET A 25 7.465 -2.201 -3.018 1.00 0.00 C ATOM 416 O MET A 25 7.244 -1.332 -3.852 1.00 0.00 O ATOM 417 CB MET A 25 8.806 -1.740 -0.937 1.00 0.00 C ATOM 418 CG MET A 25 9.672 -0.692 -1.612 1.00 0.00 C ATOM 419 SD MET A 25 11.337 -0.593 -0.915 1.00 0.00 S ATOM 420 CE MET A 25 11.958 -2.243 -1.277 1.00 0.00 C ATOM 0 H MET A 25 7.193 -3.396 -0.117 1.00 0.00 H new ATOM 0 HA MET A 25 6.889 -0.928 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.716 -1.493 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.311 -2.704 -0.997 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.743 -0.918 -2.676 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.189 0.281 -1.524 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.019 -2.187 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.821 -2.883 -0.405 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.411 -2.660 -2.123 1.00 0.00 H new ATOM 430 N GLN A 26 7.721 -3.461 -3.334 1.00 0.00 N ATOM 431 CA GLN A 26 7.751 -3.910 -4.715 1.00 0.00 C ATOM 432 C GLN A 26 6.354 -3.842 -5.343 1.00 0.00 C ATOM 433 O GLN A 26 6.233 -3.489 -6.487 1.00 0.00 O ATOM 434 CB GLN A 26 8.335 -5.323 -4.845 1.00 0.00 C ATOM 435 CG GLN A 26 8.377 -5.837 -6.285 1.00 0.00 C ATOM 436 CD GLN A 26 8.947 -7.231 -6.405 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.836 -8.041 -5.497 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.531 -7.531 -7.527 1.00 0.00 N ATOM 0 H GLN A 26 7.912 -4.192 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 26 8.409 -3.233 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.345 -5.329 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.742 -6.009 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.368 -5.828 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.974 -5.154 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.607 -6.831 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.913 -8.466 -7.669 1.00 0.00 H new ATOM 447 N ILE A 27 5.314 -4.177 -4.579 1.00 0.00 N ATOM 448 CA ILE A 27 3.919 -4.086 -5.055 1.00 0.00 C ATOM 449 C ILE A 27 3.636 -2.655 -5.508 1.00 0.00 C ATOM 450 O ILE A 27 3.203 -2.415 -6.643 1.00 0.00 O ATOM 451 CB ILE A 27 2.884 -4.471 -3.935 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.077 -5.919 -3.432 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.442 -4.252 -4.404 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.869 -6.997 -4.470 1.00 0.00 C ATOM 0 H ILE A 27 5.405 -4.517 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 27 3.806 -4.790 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 27 3.076 -3.804 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.086 -6.015 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.387 -6.094 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.754 -4.528 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.298 -3.202 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.247 -4.870 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.028 -7.975 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.852 -6.938 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.577 -6.857 -5.287 1.00 0.00 H new ATOM 466 N LEU A 28 3.938 -1.717 -4.623 1.00 0.00 N ATOM 467 CA LEU A 28 3.748 -0.299 -4.874 1.00 0.00 C ATOM 468 C LEU A 28 4.599 0.165 -6.047 1.00 0.00 C ATOM 469 O LEU A 28 4.146 0.911 -6.889 1.00 0.00 O ATOM 470 CB LEU A 28 4.122 0.497 -3.625 1.00 0.00 C ATOM 471 CG LEU A 28 3.288 0.233 -2.374 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.889 0.951 -1.189 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.857 0.690 -2.580 1.00 0.00 C ATOM 0 H LEU A 28 4.325 -1.922 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 28 2.700 -0.131 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.166 0.291 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.053 1.558 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 28 3.287 -0.840 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.287 0.756 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.905 0.593 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.910 2.023 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.279 0.493 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.844 1.759 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.419 0.147 -3.417 1.00 0.00 H new ATOM 485 N ASP A 29 5.815 -0.316 -6.096 1.00 0.00 N ATOM 486 CA ASP A 29 6.774 0.053 -7.136 1.00 0.00 C ATOM 487 C ASP A 29 6.318 -0.472 -8.492 1.00 0.00 C ATOM 488 O ASP A 29 6.278 0.258 -9.483 1.00 0.00 O ATOM 489 CB ASP A 29 8.125 -0.562 -6.802 1.00 0.00 C ATOM 490 CG ASP A 29 9.266 0.018 -7.592 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.567 -0.474 -8.688 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.931 0.953 -7.082 1.00 0.00 O ATOM 0 H ASP A 29 6.182 -0.981 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 29 6.847 1.140 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.324 -0.425 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.080 -1.636 -6.982 1.00 0.00 H new ATOM 497 N GLU A 30 5.934 -1.731 -8.501 1.00 0.00 N ATOM 498 CA GLU A 30 5.535 -2.441 -9.702 1.00 0.00 C ATOM 499 C GLU A 30 4.263 -1.821 -10.310 1.00 0.00 C ATOM 500 O GLU A 30 4.166 -1.668 -11.541 1.00 0.00 O ATOM 501 CB GLU A 30 5.349 -3.934 -9.377 1.00 0.00 C ATOM 502 CG GLU A 30 5.429 -4.867 -10.571 1.00 0.00 C ATOM 503 CD GLU A 30 5.361 -6.330 -10.173 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.330 -6.846 -9.571 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.362 -7.003 -10.470 1.00 0.00 O ATOM 0 H GLU A 30 5.889 -2.303 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 30 6.319 -2.350 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.108 -4.230 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.380 -4.067 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.613 -4.643 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.359 -4.683 -11.109 1.00 0.00 H new ATOM 512 N ILE A 31 3.297 -1.441 -9.462 1.00 0.00 N ATOM 513 CA ILE A 31 2.105 -0.767 -9.972 1.00 0.00 C ATOM 514 C ILE A 31 2.469 0.637 -10.450 1.00 0.00 C ATOM 515 O ILE A 31 2.019 1.060 -11.492 1.00 0.00 O ATOM 516 CB ILE A 31 0.909 -0.685 -8.953 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.283 0.097 -7.691 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.402 -2.070 -8.590 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.152 0.291 -6.716 1.00 0.00 C ATOM 0 H ILE A 31 3.318 -1.585 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 31 1.750 -1.383 -10.798 1.00 0.00 H new ATOM 0 HB ILE A 31 0.106 -0.142 -9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.096 -0.423 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.664 1.075 -7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.424 -1.982 -7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.058 -2.579 -9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.208 -2.645 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.508 0.854 -5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.656 0.840 -7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.216 -0.681 -6.388 1.00 0.00 H new ATOM 531 N GLU A 32 3.340 1.314 -9.694 1.00 0.00 N ATOM 532 CA GLU A 32 3.783 2.678 -9.977 1.00 0.00 C ATOM 533 C GLU A 32 4.438 2.777 -11.352 1.00 0.00 C ATOM 534 O GLU A 32 4.064 3.638 -12.173 1.00 0.00 O ATOM 535 CB GLU A 32 4.760 3.122 -8.882 1.00 0.00 C ATOM 536 CG GLU A 32 5.354 4.503 -9.042 1.00 0.00 C ATOM 537 CD GLU A 32 6.286 4.844 -7.905 1.00 0.00 C ATOM 538 OE1 GLU A 32 7.487 4.499 -7.977 1.00 0.00 O ATOM 539 OE2 GLU A 32 5.847 5.448 -6.923 1.00 0.00 O ATOM 0 H GLU A 32 3.763 0.920 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 32 2.914 3.336 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.243 3.080 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.576 2.401 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.896 4.559 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.553 5.241 -9.090 1.00 0.00 H new ATOM 546 N LEU A 33 5.381 1.884 -11.612 1.00 0.00 N ATOM 547 CA LEU A 33 6.111 1.889 -12.867 1.00 0.00 C ATOM 548 C LEU A 33 5.194 1.645 -14.071 1.00 0.00 C ATOM 549 O LEU A 33 5.432 2.185 -15.155 1.00 0.00 O ATOM 550 CB LEU A 33 7.354 0.939 -12.826 1.00 0.00 C ATOM 551 CG LEU A 33 7.139 -0.583 -12.601 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.641 -1.295 -13.854 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.414 -1.233 -12.093 1.00 0.00 C ATOM 0 H LEU A 33 5.658 1.144 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 33 6.511 2.893 -13.004 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.889 1.059 -13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.014 1.297 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 33 6.360 -0.684 -11.845 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.508 -2.356 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.689 -0.864 -14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.370 -1.175 -14.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.244 -2.299 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.210 -1.093 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.705 -0.774 -11.148 1.00 0.00 H new ATOM 565 N ASP A 34 4.159 0.826 -13.888 1.00 0.00 N ATOM 566 CA ASP A 34 3.189 0.608 -14.960 1.00 0.00 C ATOM 567 C ASP A 34 2.244 1.790 -15.078 1.00 0.00 C ATOM 568 O ASP A 34 2.100 2.372 -16.157 1.00 0.00 O ATOM 569 CB ASP A 34 2.387 -0.687 -14.771 1.00 0.00 C ATOM 570 CG ASP A 34 1.347 -0.885 -15.875 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.727 -1.277 -17.007 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.148 -0.659 -15.631 1.00 0.00 O ATOM 0 H ASP A 34 3.972 0.312 -13.027 1.00 0.00 H new ATOM 0 HA ASP A 34 3.760 0.508 -15.883 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.069 -1.537 -14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.888 -0.666 -13.802 1.00 0.00 H new ATOM 577 N LEU A 35 1.675 2.184 -13.933 1.00 0.00 N ATOM 578 CA LEU A 35 0.673 3.252 -13.807 1.00 0.00 C ATOM 579 C LEU A 35 1.084 4.531 -14.492 1.00 0.00 C ATOM 580 O LEU A 35 0.244 5.184 -15.143 1.00 0.00 O ATOM 581 CB LEU A 35 0.379 3.536 -12.326 1.00 0.00 C ATOM 582 CG LEU A 35 -0.526 4.735 -12.017 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.873 4.589 -12.681 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.689 4.899 -10.527 1.00 0.00 C ATOM 0 H LEU A 35 1.906 1.754 -13.037 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.226 2.891 -14.307 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.078 2.646 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.329 3.687 -11.814 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.049 5.629 -12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.492 5.454 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.741 4.523 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.361 3.684 -12.319 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.334 5.754 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.138 3.998 -10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.287 5.064 -10.070 1.00 0.00 H new ATOM 664 N ILE A 41 -4.731 2.594 -12.819 1.00 0.00 N ATOM 665 CA ILE A 41 -4.008 1.867 -11.767 1.00 0.00 C ATOM 666 C ILE A 41 -4.715 0.550 -11.450 1.00 0.00 C ATOM 667 O ILE A 41 -4.111 -0.379 -10.975 1.00 0.00 O ATOM 668 CB ILE A 41 -3.909 2.722 -10.463 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.017 2.040 -9.404 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.294 2.982 -9.904 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.878 2.826 -8.113 1.00 0.00 C ATOM 0 HA ILE A 41 -3.002 1.664 -12.135 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.444 3.674 -10.719 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.429 1.057 -9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.026 1.880 -9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.214 3.579 -8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.888 3.522 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.777 2.033 -9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.236 2.280 -7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.436 3.800 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.861 2.964 -7.663 1.00 0.00 H new ATOM 683 N LYS A 42 -6.001 0.506 -11.739 1.00 0.00 N ATOM 684 CA LYS A 42 -6.835 -0.659 -11.508 1.00 0.00 C ATOM 685 C LYS A 42 -6.256 -1.850 -12.225 1.00 0.00 C ATOM 686 O LYS A 42 -6.104 -2.928 -11.652 1.00 0.00 O ATOM 687 CB LYS A 42 -8.226 -0.407 -12.059 1.00 0.00 C ATOM 688 CG LYS A 42 -8.835 0.919 -11.665 1.00 0.00 C ATOM 689 CD LYS A 42 -10.291 1.023 -12.118 1.00 0.00 C ATOM 690 CE LYS A 42 -10.432 0.885 -13.630 1.00 0.00 C ATOM 691 NZ LYS A 42 -11.838 0.953 -14.075 1.00 0.00 N ATOM 0 H LYS A 42 -6.505 1.293 -12.148 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.880 -0.850 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.186 -0.463 -13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.885 -1.207 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.780 1.039 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.257 1.731 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.879 0.248 -11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.701 1.982 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.861 1.675 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.999 -0.064 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.880 0.854 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.380 0.184 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.246 1.869 -13.798 1.00 0.00 H new ATOM 705 N THR A 43 -5.909 -1.625 -13.461 1.00 0.00 N ATOM 706 CA THR A 43 -5.362 -2.640 -14.300 1.00 0.00 C ATOM 707 C THR A 43 -3.928 -2.973 -13.847 1.00 0.00 C ATOM 708 O THR A 43 -3.517 -4.143 -13.847 1.00 0.00 O ATOM 709 CB THR A 43 -5.392 -2.150 -15.750 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.698 -1.580 -15.994 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.177 -3.305 -16.714 1.00 0.00 C ATOM 0 H THR A 43 -6.002 -0.717 -13.915 1.00 0.00 H new ATOM 0 HA THR A 43 -5.953 -3.553 -14.228 1.00 0.00 H new ATOM 0 HB THR A 43 -4.599 -1.418 -15.904 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.746 -1.255 -16.917 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.202 -2.933 -17.738 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.209 -3.766 -16.519 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.966 -4.045 -16.577 1.00 0.00 H new ATOM 719 N SER A 44 -3.198 -1.943 -13.412 1.00 0.00 N ATOM 720 CA SER A 44 -1.861 -2.105 -12.879 1.00 0.00 C ATOM 721 C SER A 44 -1.901 -3.001 -11.620 1.00 0.00 C ATOM 722 O SER A 44 -1.037 -3.868 -11.435 1.00 0.00 O ATOM 723 CB SER A 44 -1.275 -0.731 -12.553 1.00 0.00 C ATOM 724 OG SER A 44 -1.413 0.145 -13.667 1.00 0.00 O ATOM 0 H SER A 44 -3.525 -0.977 -13.423 1.00 0.00 H new ATOM 0 HA SER A 44 -1.225 -2.589 -13.620 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.782 -0.309 -11.685 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.222 -0.831 -12.289 1.00 0.00 H new ATOM 0 HG SER A 44 -0.818 -0.148 -14.389 1.00 0.00 H new ATOM 730 N ILE A 45 -2.943 -2.802 -10.784 1.00 0.00 N ATOM 731 CA ILE A 45 -3.171 -3.610 -9.586 1.00 0.00 C ATOM 732 C ILE A 45 -3.271 -5.079 -9.982 1.00 0.00 C ATOM 733 O ILE A 45 -2.585 -5.928 -9.418 1.00 0.00 O ATOM 734 CB ILE A 45 -4.500 -3.183 -8.846 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.414 -1.756 -8.261 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.918 -4.181 -7.766 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.354 -1.565 -7.194 1.00 0.00 C ATOM 0 H ILE A 45 -3.644 -2.075 -10.928 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.334 -3.453 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.275 -3.184 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.220 -1.057 -9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.384 -1.493 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.837 -3.838 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.087 -5.158 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.129 -4.259 -7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.371 -0.532 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.555 -2.234 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.373 -1.791 -7.611 1.00 0.00 H new ATOM 749 N ILE A 46 -4.088 -5.340 -10.998 1.00 0.00 N ATOM 750 CA ILE A 46 -4.357 -6.688 -11.485 1.00 0.00 C ATOM 751 C ILE A 46 -3.073 -7.462 -11.807 1.00 0.00 C ATOM 752 O ILE A 46 -2.907 -8.584 -11.331 1.00 0.00 O ATOM 753 CB ILE A 46 -5.303 -6.677 -12.727 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.644 -6.021 -12.362 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.529 -8.098 -13.258 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.627 -5.923 -13.512 1.00 0.00 C ATOM 0 H ILE A 46 -4.587 -4.613 -11.511 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.862 -7.206 -10.670 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.827 -6.095 -13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.104 -6.589 -11.554 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.452 -5.019 -11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.191 -8.062 -14.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.573 -8.533 -13.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.983 -8.710 -12.478 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.545 -5.448 -13.166 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.190 -5.328 -14.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.853 -6.922 -13.883 1.00 0.00 H new ATOM 768 N TYR A 47 -2.150 -6.845 -12.561 1.00 0.00 N ATOM 769 CA TYR A 47 -0.919 -7.546 -12.973 1.00 0.00 C ATOM 770 C TYR A 47 -0.114 -7.962 -11.751 1.00 0.00 C ATOM 771 O TYR A 47 0.218 -9.139 -11.559 1.00 0.00 O ATOM 772 CB TYR A 47 0.008 -6.657 -13.811 1.00 0.00 C ATOM 773 CG TYR A 47 -0.607 -5.919 -14.963 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.251 -6.576 -16.000 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.497 -4.546 -15.024 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.770 -5.867 -17.066 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.014 -3.834 -16.071 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.649 -4.495 -17.090 1.00 0.00 C ATOM 779 OH TYR A 47 -2.147 -3.778 -18.155 1.00 0.00 O ATOM 0 H TYR A 47 -2.226 -5.884 -12.893 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.247 -8.403 -13.561 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.465 -5.924 -13.146 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.813 -7.280 -14.200 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.348 -7.651 -15.974 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.009 -4.021 -14.227 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.266 -6.384 -17.874 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.923 -2.758 -16.095 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.980 -2.823 -18.013 1.00 0.00 H new ATOM 789 N VAL A 48 0.146 -6.988 -10.917 1.00 0.00 N ATOM 790 CA VAL A 48 0.992 -7.141 -9.759 1.00 0.00 C ATOM 791 C VAL A 48 0.398 -8.125 -8.754 1.00 0.00 C ATOM 792 O VAL A 48 1.094 -9.031 -8.267 1.00 0.00 O ATOM 793 CB VAL A 48 1.237 -5.765 -9.108 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.162 -5.865 -7.908 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.806 -4.809 -10.145 1.00 0.00 C ATOM 0 H VAL A 48 -0.232 -6.047 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 48 1.947 -7.555 -10.083 1.00 0.00 H new ATOM 0 HB VAL A 48 0.283 -5.383 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.309 -4.874 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.718 -6.523 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.124 -6.270 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.980 -3.836 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.748 -5.204 -10.526 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.099 -4.701 -10.967 1.00 0.00 H new ATOM 805 N TYR A 49 -0.879 -7.980 -8.480 1.00 0.00 N ATOM 806 CA TYR A 49 -1.562 -8.839 -7.543 1.00 0.00 C ATOM 807 C TYR A 49 -1.643 -10.265 -8.059 1.00 0.00 C ATOM 808 O TYR A 49 -1.459 -11.193 -7.305 1.00 0.00 O ATOM 809 CB TYR A 49 -2.955 -8.291 -7.183 1.00 0.00 C ATOM 810 CG TYR A 49 -2.944 -7.075 -6.248 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.967 -6.085 -6.346 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.905 -6.938 -5.254 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.955 -5.003 -5.494 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.898 -5.853 -4.394 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.918 -4.890 -4.522 1.00 0.00 C ATOM 816 OH TYR A 49 -2.900 -3.812 -3.674 1.00 0.00 O ATOM 0 H TYR A 49 -1.471 -7.264 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.973 -8.854 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.473 -8.020 -8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.534 -9.087 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.204 -6.168 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.672 -7.692 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.191 -4.246 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.654 -5.761 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.648 -3.879 -3.044 1.00 0.00 H new ATOM 826 N SER A 50 -1.849 -10.423 -9.357 1.00 0.00 N ATOM 827 CA SER A 50 -1.960 -11.741 -9.955 1.00 0.00 C ATOM 828 C SER A 50 -0.583 -12.446 -9.989 1.00 0.00 C ATOM 829 O SER A 50 -0.499 -13.676 -9.970 1.00 0.00 O ATOM 830 CB SER A 50 -2.572 -11.631 -11.364 1.00 0.00 C ATOM 831 OG SER A 50 -2.893 -12.902 -11.918 1.00 0.00 O ATOM 0 H SER A 50 -1.943 -9.651 -10.017 1.00 0.00 H new ATOM 0 HA SER A 50 -2.624 -12.352 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.473 -11.020 -11.319 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.871 -11.118 -12.022 1.00 0.00 H new ATOM 0 HG SER A 50 -3.279 -12.782 -12.811 1.00 0.00 H new ATOM 837 N SER A 51 0.482 -11.674 -10.029 1.00 0.00 N ATOM 838 CA SER A 51 1.816 -12.233 -10.033 1.00 0.00 C ATOM 839 C SER A 51 2.243 -12.583 -8.598 1.00 0.00 C ATOM 840 O SER A 51 2.741 -13.682 -8.324 1.00 0.00 O ATOM 841 CB SER A 51 2.801 -11.230 -10.675 1.00 0.00 C ATOM 842 OG SER A 51 4.126 -11.752 -10.788 1.00 0.00 O ATOM 0 H SER A 51 0.449 -10.655 -10.059 1.00 0.00 H new ATOM 0 HA SER A 51 1.824 -13.149 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.438 -10.954 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.824 -10.318 -10.079 1.00 0.00 H new ATOM 0 HG SER A 51 4.708 -11.080 -11.201 1.00 0.00 H new ATOM 848 N HIS A 52 1.983 -11.674 -7.680 1.00 0.00 N ATOM 849 CA HIS A 52 2.426 -11.824 -6.299 1.00 0.00 C ATOM 850 C HIS A 52 1.264 -12.272 -5.414 1.00 0.00 C ATOM 851 O HIS A 52 1.169 -11.854 -4.254 1.00 0.00 O ATOM 852 CB HIS A 52 2.992 -10.485 -5.762 1.00 0.00 C ATOM 853 CG HIS A 52 4.152 -9.898 -6.539 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.477 -10.152 -6.254 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.163 -9.019 -7.572 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.238 -9.452 -7.068 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.462 -8.760 -7.876 1.00 0.00 N ATOM 0 H HIS A 52 1.463 -10.816 -7.863 1.00 0.00 H new ATOM 0 HA HIS A 52 3.211 -12.580 -6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.185 -9.753 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.310 -10.635 -4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.297 -8.601 -8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.318 -9.446 -7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.784 -8.131 -8.612 1.00 0.00 H new ATOM 866 N LEU A 53 0.421 -13.170 -5.951 1.00 0.00 N ATOM 867 CA LEU A 53 -0.798 -13.680 -5.266 1.00 0.00 C ATOM 868 C LEU A 53 -0.564 -14.113 -3.839 1.00 0.00 C ATOM 869 O LEU A 53 -1.419 -13.914 -2.995 1.00 0.00 O ATOM 870 CB LEU A 53 -1.429 -14.859 -6.019 1.00 0.00 C ATOM 871 CG LEU A 53 -2.140 -14.548 -7.321 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.560 -15.835 -8.004 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.369 -13.682 -7.071 1.00 0.00 C ATOM 0 H LEU A 53 0.560 -13.571 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.474 -12.825 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.644 -15.586 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.142 -15.343 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.450 -14.002 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.070 -15.601 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.678 -16.440 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.234 -16.390 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.864 -13.471 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.058 -14.210 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.065 -12.745 -6.604 1.00 0.00 H new ATOM 885 N ASP A 54 0.584 -14.701 -3.581 1.00 0.00 N ATOM 886 CA ASP A 54 0.900 -15.234 -2.253 1.00 0.00 C ATOM 887 C ASP A 54 0.749 -14.206 -1.148 1.00 0.00 C ATOM 888 O ASP A 54 0.033 -14.435 -0.186 1.00 0.00 O ATOM 889 CB ASP A 54 2.310 -15.804 -2.192 1.00 0.00 C ATOM 890 CG ASP A 54 2.602 -16.386 -0.833 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.206 -17.529 -0.578 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.240 -15.710 0.019 1.00 0.00 O ATOM 0 H ASP A 54 1.325 -14.827 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 54 0.172 -16.028 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.427 -16.575 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.033 -15.020 -2.418 1.00 0.00 H new ATOM 897 N GLU A 55 1.357 -13.062 -1.305 1.00 0.00 N ATOM 898 CA GLU A 55 1.289 -12.060 -0.263 1.00 0.00 C ATOM 899 C GLU A 55 -0.096 -11.432 -0.247 1.00 0.00 C ATOM 900 O GLU A 55 -0.609 -11.044 0.806 1.00 0.00 O ATOM 901 CB GLU A 55 2.381 -11.022 -0.451 1.00 0.00 C ATOM 902 CG GLU A 55 2.623 -10.128 0.761 1.00 0.00 C ATOM 903 CD GLU A 55 2.951 -10.920 2.011 1.00 0.00 C ATOM 904 OE1 GLU A 55 4.036 -11.540 2.072 1.00 0.00 O ATOM 905 OE2 GLU A 55 2.143 -10.935 2.949 1.00 0.00 O ATOM 0 H GLU A 55 1.898 -12.798 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 55 1.457 -12.530 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.311 -11.533 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.124 -10.394 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.442 -9.442 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.737 -9.520 0.942 1.00 0.00 H new ATOM 912 N ILE A 56 -0.715 -11.397 -1.420 1.00 0.00 N ATOM 913 CA ILE A 56 -2.047 -10.846 -1.583 1.00 0.00 C ATOM 914 C ILE A 56 -3.041 -11.697 -0.787 1.00 0.00 C ATOM 915 O ILE A 56 -3.856 -11.178 -0.059 1.00 0.00 O ATOM 916 CB ILE A 56 -2.486 -10.804 -3.087 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.439 -10.095 -3.976 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.852 -10.136 -3.248 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.064 -8.697 -3.539 1.00 0.00 C ATOM 0 H ILE A 56 -0.304 -11.751 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.035 -9.821 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.562 -11.839 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.536 -10.705 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.823 -10.049 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.128 -10.122 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.599 -10.695 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.804 -9.114 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.324 -8.287 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.952 -8.065 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.645 -8.730 -2.533 1.00 0.00 H new ATOM 931 N ARG A 57 -2.927 -13.013 -0.913 1.00 0.00 N ATOM 932 CA ARG A 57 -3.807 -13.932 -0.200 1.00 0.00 C ATOM 933 C ARG A 57 -3.449 -14.012 1.294 1.00 0.00 C ATOM 934 O ARG A 57 -4.334 -14.188 2.135 1.00 0.00 O ATOM 935 CB ARG A 57 -3.832 -15.337 -0.861 1.00 0.00 C ATOM 936 CG ARG A 57 -2.488 -16.046 -0.888 1.00 0.00 C ATOM 937 CD ARG A 57 -2.531 -17.364 -1.649 1.00 0.00 C ATOM 938 NE ARG A 57 -3.430 -18.344 -1.034 1.00 0.00 N ATOM 939 CZ ARG A 57 -3.124 -19.637 -0.803 1.00 0.00 C ATOM 940 NH1 ARG A 57 -1.898 -20.100 -1.038 1.00 0.00 N ATOM 941 NH2 ARG A 57 -4.052 -20.453 -0.318 1.00 0.00 N ATOM 0 H ARG A 57 -2.232 -13.470 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.818 -13.529 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.548 -15.963 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.196 -15.237 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.746 -15.391 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.160 -16.233 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.851 -17.177 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.526 -17.782 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.359 -18.024 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.177 -19.474 -1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.680 -21.080 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.989 -20.101 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.828 -21.432 -0.141 1.00 0.00 H new ATOM 955 N LYS A 58 -2.161 -13.870 1.622 1.00 0.00 N ATOM 956 CA LYS A 58 -1.720 -13.868 3.022 1.00 0.00 C ATOM 957 C LYS A 58 -2.300 -12.684 3.769 1.00 0.00 C ATOM 958 O LYS A 58 -2.765 -12.820 4.909 1.00 0.00 O ATOM 959 CB LYS A 58 -0.193 -13.837 3.148 1.00 0.00 C ATOM 960 CG LYS A 58 0.499 -15.184 3.379 1.00 0.00 C ATOM 961 CD LYS A 58 0.259 -16.186 2.272 1.00 0.00 C ATOM 962 CE LYS A 58 1.156 -17.403 2.431 1.00 0.00 C ATOM 963 NZ LYS A 58 2.595 -17.050 2.308 1.00 0.00 N ATOM 0 H LYS A 58 -1.409 -13.756 0.942 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.084 -14.797 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.216 -13.394 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.068 -13.173 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.572 -15.019 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.149 -15.606 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.786 -16.497 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.445 -15.717 1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.976 -17.862 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.898 -18.145 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.127 -17.876 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.704 -16.266 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.962 -16.760 3.237 1.00 0.00 H new ATOM 977 N ASN A 59 -2.277 -11.532 3.140 1.00 0.00 N ATOM 978 CA ASN A 59 -2.818 -10.337 3.744 1.00 0.00 C ATOM 979 C ASN A 59 -3.866 -9.714 2.865 1.00 0.00 C ATOM 980 O ASN A 59 -3.750 -8.561 2.425 1.00 0.00 O ATOM 981 CB ASN A 59 -1.735 -9.328 4.140 1.00 0.00 C ATOM 982 CG ASN A 59 -0.873 -9.824 5.278 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.208 -9.636 6.453 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.250 -10.416 4.965 1.00 0.00 N ATOM 0 H ASN A 59 -1.888 -11.397 2.207 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.298 -10.644 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.105 -9.118 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.206 -8.388 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.879 -10.738 5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.497 -10.556 3.985 1.00 0.00 H new ATOM 991 N LYS A 60 -4.908 -10.480 2.626 1.00 0.00 N ATOM 992 CA LYS A 60 -6.000 -10.084 1.747 1.00 0.00 C ATOM 993 C LYS A 60 -6.754 -8.874 2.278 1.00 0.00 C ATOM 994 O LYS A 60 -7.348 -8.123 1.512 1.00 0.00 O ATOM 995 CB LYS A 60 -6.944 -11.266 1.470 1.00 0.00 C ATOM 996 CG LYS A 60 -7.590 -11.880 2.709 1.00 0.00 C ATOM 997 CD LYS A 60 -8.439 -13.102 2.357 1.00 0.00 C ATOM 998 CE LYS A 60 -9.587 -12.756 1.416 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.376 -13.949 1.052 1.00 0.00 N ATOM 0 H LYS A 60 -5.027 -11.405 3.038 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.558 -9.783 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.732 -10.931 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.386 -12.043 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.815 -12.168 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.213 -11.134 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.807 -13.859 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.840 -13.539 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.237 -12.021 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.190 -12.293 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.147 -13.673 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.761 -14.640 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.776 -14.376 1.912 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.720 -8.686 3.583 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.325 -7.541 4.216 1.00 0.00 C ATOM 1015 C GLU A 61 -6.531 -6.291 3.856 1.00 0.00 C ATOM 1016 O GLU A 61 -7.076 -5.322 3.328 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.313 -7.741 5.720 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.139 -8.921 6.200 1.00 0.00 C ATOM 1019 CD GLU A 61 -7.860 -9.267 7.639 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -8.407 -8.614 8.542 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -7.056 -10.205 7.892 1.00 0.00 O ATOM 0 H GLU A 61 -6.268 -9.329 4.233 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.353 -7.426 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.283 -7.876 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.684 -6.834 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.198 -8.692 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.929 -9.788 5.573 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.225 -6.370 4.082 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.297 -5.276 3.845 1.00 0.00 C ATOM 1030 C PHE A 62 -4.326 -4.850 2.383 1.00 0.00 C ATOM 1031 O PHE A 62 -4.511 -3.671 2.075 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.878 -5.710 4.257 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.803 -4.676 4.042 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.647 -3.623 4.925 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.946 -4.764 2.953 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.662 -2.676 4.727 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.040 -3.823 2.751 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.183 -2.777 3.637 1.00 0.00 C ATOM 0 H PHE A 62 -4.775 -7.212 4.441 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.597 -4.418 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.891 -5.983 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.613 -6.608 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.303 -3.541 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.054 -5.581 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.552 -1.857 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.700 -3.905 1.900 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.954 -2.037 3.480 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.192 -5.816 1.493 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.160 -5.539 0.072 1.00 0.00 C ATOM 1050 C TYR A 63 -5.470 -5.023 -0.474 1.00 0.00 C ATOM 1051 O TYR A 63 -5.478 -4.188 -1.368 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.596 -6.703 -0.725 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.111 -6.821 -0.519 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.241 -6.016 -1.237 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.578 -7.698 0.402 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.118 -6.085 -1.043 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.222 -7.777 0.602 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.625 -6.965 -0.126 1.00 0.00 C ATOM 1059 OH TYR A 63 1.983 -7.037 0.066 1.00 0.00 O ATOM 0 H TYR A 63 -4.103 -6.804 1.733 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.463 -4.711 -0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.085 -7.629 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.811 -6.562 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.638 -5.322 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.238 -8.333 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.781 -5.449 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.180 -8.471 1.325 1.00 0.00 H new ATOM 0 HH TYR A 63 2.365 -7.704 -0.542 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.570 -5.464 0.095 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.880 -4.974 -0.328 1.00 0.00 C ATOM 1071 C ASP A 64 -8.042 -3.506 0.048 1.00 0.00 C ATOM 1072 O ASP A 64 -8.470 -2.677 -0.770 1.00 0.00 O ATOM 1073 CB ASP A 64 -9.004 -5.812 0.283 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.376 -5.254 0.001 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.840 -5.309 -1.152 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.017 -4.741 0.931 1.00 0.00 O ATOM 0 H ASP A 64 -6.593 -6.154 0.845 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.944 -5.067 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.944 -6.828 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.858 -5.874 1.361 1.00 0.00 H new ATOM 1081 N MET A 65 -7.656 -3.180 1.266 1.00 0.00 N ATOM 1082 CA MET A 65 -7.747 -1.833 1.769 1.00 0.00 C ATOM 1083 C MET A 65 -6.793 -0.901 1.050 1.00 0.00 C ATOM 1084 O MET A 65 -7.196 0.182 0.630 1.00 0.00 O ATOM 1085 CB MET A 65 -7.503 -1.815 3.265 1.00 0.00 C ATOM 1086 CG MET A 65 -8.554 -2.585 4.028 1.00 0.00 C ATOM 1087 SD MET A 65 -8.198 -2.765 5.782 1.00 0.00 S ATOM 1088 CE MET A 65 -8.165 -1.060 6.271 1.00 0.00 C ATOM 0 H MET A 65 -7.270 -3.848 1.933 1.00 0.00 H new ATOM 0 HA MET A 65 -8.756 -1.469 1.576 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.521 -2.239 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.486 -0.783 3.615 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.514 -2.082 3.912 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.657 -3.576 3.585 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.044 -0.994 7.352 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.331 -0.557 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.100 -0.580 5.981 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.539 -1.319 0.862 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.593 -0.450 0.181 1.00 0.00 C ATOM 1100 C ILE A 66 -4.968 -0.244 -1.271 1.00 0.00 C ATOM 1101 O ILE A 66 -4.815 0.838 -1.765 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.089 -0.844 0.292 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.809 -2.200 -0.330 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.639 -0.825 1.741 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.337 -2.515 -0.460 1.00 0.00 C ATOM 0 H ILE A 66 -5.170 -2.221 1.161 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.680 0.487 0.731 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.518 -0.103 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.285 -2.972 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.269 -2.239 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.587 -1.103 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.773 0.176 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.234 -1.535 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.214 -3.499 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.858 -1.764 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.875 -2.509 0.527 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.501 -1.278 -1.939 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.933 -1.149 -3.341 1.00 0.00 C ATOM 1119 C ALA A 67 -6.970 -0.047 -3.477 1.00 0.00 C ATOM 1120 O ALA A 67 -6.927 0.747 -4.418 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.487 -2.465 -3.868 1.00 0.00 C ATOM 0 H ALA A 67 -5.643 -2.205 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.060 -0.886 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.798 -2.340 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.716 -3.233 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.344 -2.766 -3.266 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.873 0.013 -2.517 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.898 1.040 -2.464 1.00 0.00 C ATOM 1129 C GLU A 68 -8.229 2.418 -2.312 1.00 0.00 C ATOM 1130 O GLU A 68 -8.461 3.333 -3.108 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.831 0.743 -1.274 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.967 1.732 -1.057 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.915 1.819 -2.227 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.530 0.795 -2.598 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.056 2.910 -2.808 1.00 0.00 O ATOM 0 H GLU A 68 -7.917 -0.654 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.486 1.045 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.260 -0.249 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.229 0.706 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.526 1.443 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.548 2.719 -0.864 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.351 2.513 -1.332 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.642 3.746 -1.007 1.00 0.00 C ATOM 1144 C ILE A 69 -5.725 4.206 -2.161 1.00 0.00 C ATOM 1145 O ILE A 69 -5.677 5.383 -2.474 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.830 3.572 0.308 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.787 3.197 1.449 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.059 4.850 0.655 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.100 2.803 2.733 1.00 0.00 C ATOM 0 H ILE A 69 -7.104 1.729 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.388 4.527 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.100 2.775 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.445 4.043 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.419 2.372 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.501 4.699 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.367 5.088 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.760 5.674 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.849 2.554 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.463 1.936 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.490 3.633 3.089 1.00 0.00 H new ATOM 1161 N LEU A 70 -5.031 3.271 -2.795 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.125 3.571 -3.914 1.00 0.00 C ATOM 1163 C LEU A 70 -4.858 4.254 -5.059 1.00 0.00 C ATOM 1164 O LEU A 70 -4.418 5.289 -5.552 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.434 2.294 -4.418 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.491 1.598 -3.430 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -2.067 0.241 -3.955 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.272 2.457 -3.164 1.00 0.00 C ATOM 0 H LEU A 70 -5.075 2.281 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.366 4.257 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.204 1.582 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.867 2.543 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.030 1.454 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.398 -0.234 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.948 -0.385 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.550 0.364 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.614 1.947 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.739 2.631 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.585 3.412 -2.741 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.985 3.693 -5.453 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.787 4.252 -6.539 1.00 0.00 C ATOM 1182 C GLN A 71 -7.320 5.638 -6.134 1.00 0.00 C ATOM 1183 O GLN A 71 -7.159 6.650 -6.852 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.953 3.301 -6.856 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.514 1.909 -7.311 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.663 0.931 -7.431 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.292 0.795 -8.485 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.938 0.247 -6.368 1.00 0.00 N ATOM 0 H GLN A 71 -6.373 2.846 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.169 4.364 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.579 3.202 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.572 3.748 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.012 1.990 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.783 1.516 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.395 0.388 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.698 -0.433 -6.382 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.874 5.665 -4.956 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.501 6.825 -4.361 1.00 0.00 C ATOM 1199 C ARG A 72 -7.492 7.983 -4.217 1.00 0.00 C ATOM 1200 O ARG A 72 -7.767 9.127 -4.582 1.00 0.00 O ATOM 1201 CB ARG A 72 -9.000 6.374 -2.991 1.00 0.00 C ATOM 1202 CG ARG A 72 -10.042 7.219 -2.301 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.444 6.510 -1.014 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.685 7.012 -0.434 1.00 0.00 N ATOM 1205 CZ ARG A 72 -12.843 6.322 -0.442 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -12.935 5.154 -1.107 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -13.903 6.782 0.211 1.00 0.00 N ATOM 0 H ARG A 72 -7.906 4.844 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.316 7.197 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.404 5.367 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.137 6.302 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.645 8.210 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.909 7.358 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.552 5.444 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.642 6.618 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.676 7.935 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.126 4.787 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.814 4.636 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.844 7.662 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.776 6.255 0.201 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.317 7.670 -3.730 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.332 8.674 -3.448 1.00 0.00 C ATOM 1223 C TYR A 73 -4.353 8.991 -4.560 1.00 0.00 C ATOM 1224 O TYR A 73 -3.763 10.077 -4.541 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.652 8.465 -2.100 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.485 8.980 -0.961 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.598 8.289 -0.491 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.185 10.197 -0.389 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.373 8.808 0.528 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.955 10.719 0.612 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.042 10.030 1.070 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.822 10.589 2.051 1.00 0.00 O ATOM 0 H TYR A 73 -6.021 6.717 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.922 9.588 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.456 7.403 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.686 8.970 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.859 7.336 -0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.325 10.749 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.229 8.262 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.704 11.678 1.042 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.269 11.165 2.620 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.145 8.103 -5.532 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.266 8.472 -6.627 1.00 0.00 C ATOM 1244 C TYR A 74 -3.937 9.587 -7.436 1.00 0.00 C ATOM 1245 O TYR A 74 -3.270 10.451 -7.989 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.857 7.273 -7.523 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.675 7.083 -8.788 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -4.867 6.425 -8.753 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -3.244 7.597 -10.014 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -5.629 6.263 -9.880 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.007 7.444 -11.153 1.00 0.00 C ATOM 1252 CZ TYR A 74 -5.202 6.771 -11.072 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.993 6.620 -12.182 1.00 0.00 O ATOM 0 H TYR A 74 -4.553 7.169 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.328 8.832 -6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.811 7.394 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.924 6.361 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.220 6.022 -7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.301 8.121 -10.070 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.568 5.733 -9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.669 7.848 -12.096 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.555 7.035 -12.954 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.273 9.565 -7.474 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.023 10.613 -8.152 1.00 0.00 C ATOM 1265 C LYS A 75 -6.006 11.899 -7.317 1.00 0.00 C ATOM 1266 O LYS A 75 -5.886 13.009 -7.852 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.476 10.170 -8.387 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.617 8.905 -9.221 1.00 0.00 C ATOM 1269 CD LYS A 75 -9.068 8.485 -9.361 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.222 7.157 -10.115 1.00 0.00 C ATOM 1271 NZ LYS A 75 -8.732 7.209 -11.513 1.00 0.00 N ATOM 0 H LYS A 75 -5.847 8.839 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.552 10.803 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.956 10.010 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.015 10.979 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.189 9.071 -10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.048 8.099 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.514 8.391 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.620 9.264 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.680 6.379 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.274 6.870 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.267 6.532 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.863 8.169 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.722 6.963 -11.536 1.00 0.00 H new ATOM 1285 N LYS A 76 -6.095 11.734 -6.013 1.00 0.00 N ATOM 1286 CA LYS A 76 -6.185 12.847 -5.082 1.00 0.00 C ATOM 1287 C LYS A 76 -4.835 13.558 -4.873 1.00 0.00 C ATOM 1288 O LYS A 76 -4.753 14.774 -5.019 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.781 12.353 -3.749 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.988 13.414 -2.672 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.664 12.798 -1.452 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.750 13.766 -0.277 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.409 13.153 0.911 1.00 0.00 N ATOM 0 H LYS A 76 -6.107 10.818 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.848 13.597 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.742 11.883 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.127 11.579 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.029 13.845 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.599 14.227 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.668 12.472 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.112 11.909 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.747 14.094 -0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.305 14.654 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.252 13.755 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.430 13.065 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.005 12.210 1.084 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.776 12.809 -4.566 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.472 13.439 -4.293 1.00 0.00 C ATOM 1309 C ILE A 77 -1.357 12.937 -5.221 1.00 0.00 C ATOM 1310 O ILE A 77 -0.432 13.690 -5.556 1.00 0.00 O ATOM 1311 CB ILE A 77 -2.022 13.261 -2.804 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.972 11.768 -2.419 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.935 14.044 -1.862 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.469 11.493 -1.017 1.00 0.00 C ATOM 0 H ILE A 77 -3.786 11.791 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.629 14.499 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.014 13.665 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.972 11.347 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.332 11.245 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.602 13.905 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.897 15.103 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.959 13.683 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.468 10.418 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.455 11.880 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.121 11.983 -0.294 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.450 11.699 -5.655 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.445 11.159 -6.551 1.00 0.00 C ATOM 1328 C GLY A 78 0.121 9.851 -6.045 1.00 0.00 C ATOM 1329 O GLY A 78 0.308 9.685 -4.833 1.00 0.00 O ATOM 0 H GLY A 78 -2.200 11.053 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.883 11.007 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.362 11.882 -6.668 1.00 0.00 H new ATOM 1333 N ILE A 79 0.417 8.935 -6.961 1.00 0.00 N ATOM 1334 CA ILE A 79 0.889 7.594 -6.612 1.00 0.00 C ATOM 1335 C ILE A 79 2.212 7.610 -5.826 1.00 0.00 C ATOM 1336 O ILE A 79 2.346 6.879 -4.845 1.00 0.00 O ATOM 1337 CB ILE A 79 1.000 6.645 -7.859 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.389 5.211 -7.437 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.984 7.184 -8.900 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.360 4.510 -6.561 1.00 0.00 C ATOM 0 H ILE A 79 0.338 9.098 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 79 0.122 7.187 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 79 0.014 6.612 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.552 4.613 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.338 5.248 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.031 6.498 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.649 8.162 -9.245 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.973 7.276 -8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.715 3.510 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.213 5.081 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.586 4.437 -7.098 1.00 0.00 H new ATOM 1352 N GLU A 80 3.148 8.487 -6.216 1.00 0.00 N ATOM 1353 CA GLU A 80 4.466 8.571 -5.568 1.00 0.00 C ATOM 1354 C GLU A 80 4.307 8.893 -4.101 1.00 0.00 C ATOM 1355 O GLU A 80 5.002 8.343 -3.235 1.00 0.00 O ATOM 1356 CB GLU A 80 5.314 9.656 -6.215 1.00 0.00 C ATOM 1357 CG GLU A 80 5.679 9.400 -7.662 1.00 0.00 C ATOM 1358 CD GLU A 80 6.419 10.559 -8.271 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.538 10.884 -7.823 1.00 0.00 O ATOM 1360 OE2 GLU A 80 5.901 11.191 -9.208 1.00 0.00 O ATOM 0 H GLU A 80 3.017 9.150 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 80 4.959 7.606 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.777 10.602 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.232 9.772 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.294 8.503 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.772 9.207 -8.236 1.00 0.00 H new ATOM 1367 N ASN A 81 3.371 9.765 -3.835 1.00 0.00 N ATOM 1368 CA ASN A 81 3.068 10.190 -2.489 1.00 0.00 C ATOM 1369 C ASN A 81 2.501 9.036 -1.689 1.00 0.00 C ATOM 1370 O ASN A 81 2.998 8.718 -0.602 1.00 0.00 O ATOM 1371 CB ASN A 81 2.067 11.361 -2.479 1.00 0.00 C ATOM 1372 CG ASN A 81 2.610 12.662 -3.051 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.461 12.677 -3.957 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.139 13.757 -2.533 1.00 0.00 N ATOM 0 H ASN A 81 2.792 10.205 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 81 3.999 10.529 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.183 11.071 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.744 11.537 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.467 14.662 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.441 13.711 -1.791 1.00 0.00 H new ATOM 1381 N VAL A 82 1.501 8.376 -2.262 1.00 0.00 N ATOM 1382 CA VAL A 82 0.789 7.283 -1.598 1.00 0.00 C ATOM 1383 C VAL A 82 1.723 6.107 -1.334 1.00 0.00 C ATOM 1384 O VAL A 82 1.659 5.489 -0.283 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.434 6.798 -2.427 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.256 5.780 -1.650 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.300 7.962 -2.822 1.00 0.00 C ATOM 0 H VAL A 82 1.158 8.581 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 82 0.424 7.676 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.054 6.317 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.104 5.459 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.634 4.917 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.619 6.233 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.150 7.603 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.659 8.469 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.719 8.660 -3.425 1.00 0.00 H new ATOM 1397 N ASN A 83 2.604 5.848 -2.281 1.00 0.00 N ATOM 1398 CA ASN A 83 3.602 4.757 -2.208 1.00 0.00 C ATOM 1399 C ASN A 83 4.398 4.868 -0.894 1.00 0.00 C ATOM 1400 O ASN A 83 4.464 3.930 -0.094 1.00 0.00 O ATOM 1401 CB ASN A 83 4.550 4.893 -3.429 1.00 0.00 C ATOM 1402 CG ASN A 83 5.563 3.760 -3.629 1.00 0.00 C ATOM 1403 OD1 ASN A 83 6.032 3.117 -2.691 1.00 0.00 O ATOM 1404 ND2 ASN A 83 5.935 3.539 -4.870 1.00 0.00 N ATOM 0 H ASN A 83 2.661 6.389 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 83 3.110 3.784 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.940 4.970 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.098 5.830 -3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.629 2.820 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.530 4.087 -5.629 1.00 0.00 H new ATOM 1411 N GLN A 84 4.893 6.057 -0.643 1.00 0.00 N ATOM 1412 CA GLN A 84 5.679 6.347 0.548 1.00 0.00 C ATOM 1413 C GLN A 84 4.760 6.275 1.787 1.00 0.00 C ATOM 1414 O GLN A 84 5.138 5.747 2.824 1.00 0.00 O ATOM 1415 CB GLN A 84 6.297 7.757 0.417 1.00 0.00 C ATOM 1416 CG GLN A 84 7.596 8.030 1.212 1.00 0.00 C ATOM 1417 CD GLN A 84 7.470 7.914 2.722 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.131 8.882 3.407 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.804 6.767 3.255 1.00 0.00 N ATOM 0 H GLN A 84 4.765 6.860 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 84 6.482 5.618 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.500 7.941 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.549 8.485 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.363 7.333 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.947 9.033 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.079 5.988 2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.789 6.652 4.268 1.00 0.00 H new ATOM 1428 N LEU A 85 3.546 6.770 1.651 1.00 0.00 N ATOM 1429 CA LEU A 85 2.593 6.800 2.758 1.00 0.00 C ATOM 1430 C LEU A 85 2.162 5.388 3.194 1.00 0.00 C ATOM 1431 O LEU A 85 2.029 5.117 4.393 1.00 0.00 O ATOM 1432 CB LEU A 85 1.394 7.687 2.416 1.00 0.00 C ATOM 1433 CG LEU A 85 1.736 9.161 2.141 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.515 9.936 1.698 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.367 9.814 3.367 1.00 0.00 C ATOM 0 H LEU A 85 3.188 7.161 0.780 1.00 0.00 H new ATOM 0 HA LEU A 85 3.099 7.241 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.895 7.275 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.681 7.642 3.239 1.00 0.00 H new ATOM 0 HG LEU A 85 2.462 9.182 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.791 10.974 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.117 9.497 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.244 9.897 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.599 10.856 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.670 9.768 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.284 9.286 3.629 1.00 0.00 H new ATOM 1447 N ILE A 86 1.984 4.490 2.239 1.00 0.00 N ATOM 1448 CA ILE A 86 1.655 3.098 2.550 1.00 0.00 C ATOM 1449 C ILE A 86 2.841 2.448 3.267 1.00 0.00 C ATOM 1450 O ILE A 86 2.668 1.716 4.246 1.00 0.00 O ATOM 1451 CB ILE A 86 1.270 2.280 1.274 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.031 2.885 0.582 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.034 0.800 1.599 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.221 2.951 1.450 1.00 0.00 C ATOM 0 H ILE A 86 2.060 4.694 1.242 1.00 0.00 H new ATOM 0 HA ILE A 86 0.780 3.094 3.200 1.00 0.00 H new ATOM 0 HB ILE A 86 2.114 2.339 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.276 3.893 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.193 2.298 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.769 0.265 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.943 0.371 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.222 0.711 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.038 3.390 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.499 1.945 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.023 3.565 2.329 1.00 0.00 H new ATOM 1466 N LEU A 87 4.042 2.774 2.817 1.00 0.00 N ATOM 1467 CA LEU A 87 5.251 2.282 3.461 1.00 0.00 C ATOM 1468 C LEU A 87 5.364 2.842 4.871 1.00 0.00 C ATOM 1469 O LEU A 87 5.713 2.132 5.798 1.00 0.00 O ATOM 1470 CB LEU A 87 6.493 2.610 2.629 1.00 0.00 C ATOM 1471 CG LEU A 87 6.557 1.935 1.255 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.805 2.342 0.507 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.498 0.426 1.401 1.00 0.00 C ATOM 0 H LEU A 87 4.206 3.376 2.010 1.00 0.00 H new ATOM 0 HA LEU A 87 5.186 1.196 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.541 3.690 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.377 2.323 3.198 1.00 0.00 H new ATOM 0 HG LEU A 87 5.693 2.265 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.824 1.848 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.808 3.423 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.685 2.049 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.545 -0.037 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.341 0.085 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.566 0.144 1.891 1.00 0.00 H new ATOM 1485 N THR A 88 4.998 4.105 5.022 1.00 0.00 N ATOM 1486 CA THR A 88 4.963 4.784 6.316 1.00 0.00 C ATOM 1487 C THR A 88 4.010 4.045 7.280 1.00 0.00 C ATOM 1488 O THR A 88 4.250 3.972 8.484 1.00 0.00 O ATOM 1489 CB THR A 88 4.483 6.253 6.148 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.356 6.962 5.245 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.441 6.985 7.485 1.00 0.00 C ATOM 0 H THR A 88 4.713 4.698 4.243 1.00 0.00 H new ATOM 0 HA THR A 88 5.972 4.782 6.729 1.00 0.00 H new ATOM 0 HB THR A 88 3.473 6.223 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.226 6.627 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.101 8.009 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.754 6.473 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.438 6.997 7.925 1.00 0.00 H new ATOM 1499 N THR A 89 2.957 3.490 6.721 1.00 0.00 N ATOM 1500 CA THR A 89 1.946 2.797 7.466 1.00 0.00 C ATOM 1501 C THR A 89 2.497 1.527 8.132 1.00 0.00 C ATOM 1502 O THR A 89 2.266 1.300 9.320 1.00 0.00 O ATOM 1503 CB THR A 89 0.769 2.444 6.543 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.276 3.640 5.942 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.348 1.785 7.309 1.00 0.00 C ATOM 0 H THR A 89 2.782 3.512 5.716 1.00 0.00 H new ATOM 0 HA THR A 89 1.602 3.460 8.260 1.00 0.00 H new ATOM 0 HB THR A 89 1.124 1.748 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.942 3.989 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.165 1.548 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.019 0.868 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.706 2.462 8.084 1.00 0.00 H new ATOM 1513 N ILE A 90 3.249 0.744 7.382 1.00 0.00 N ATOM 1514 CA ILE A 90 3.791 -0.511 7.895 1.00 0.00 C ATOM 1515 C ILE A 90 5.103 -0.304 8.652 1.00 0.00 C ATOM 1516 O ILE A 90 5.628 -1.223 9.289 1.00 0.00 O ATOM 1517 CB ILE A 90 3.951 -1.574 6.781 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.806 -1.036 5.620 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.581 -2.019 6.291 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.017 -2.026 4.497 1.00 0.00 C ATOM 0 H ILE A 90 3.501 0.950 6.415 1.00 0.00 H new ATOM 0 HA ILE A 90 3.060 -0.893 8.608 1.00 0.00 H new ATOM 0 HB ILE A 90 4.471 -2.438 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.330 -0.142 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.778 -0.732 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.700 -2.767 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.020 -2.449 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.040 -1.160 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.629 -1.569 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.522 -2.912 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.052 -2.312 4.078 1.00 0.00 H new