USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -78:sc= 1.76 USER MOD Set 1.2: A 57 SER OG : rot -42:sc= 0.557 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.179 X(o=0.0049,f=-0.36) USER MOD Set 3.1: A 7 THR OG1 : rot -172:sc= 0.332 USER MOD Set 3.2: A 9 THR OG1 : rot -6:sc= 0.19 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -152:sc= 0.818 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 171:sc= 0.77 USER MOD Single : A 1 MET CE :methyl -174:sc= -0.0504 (180deg=-0.113) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.29 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= -0.0391 X(o=-0.039,f=0.05) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0.607 (180deg=-0.445!) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.842 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.82 (180deg=1.31) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.333) USER MOD Single : A 31 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.873 K(o=0.87,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.27) USER MOD Single : A 59 TYR OH : rot 167:sc= 0.0591 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00897 K(o=-0.009,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0.775 (180deg=0.632) USER MOD Single : A 65 SER OG : rot 102:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.145 -6.919 -4.284 1.00 9.67 N ATOM 2 CA MET A 1 12.013 -7.315 -2.849 1.00 10.38 C ATOM 3 C MET A 1 10.526 -7.638 -2.503 1.00 9.62 C ATOM 4 O MET A 1 9.655 -7.356 -3.328 1.00 9.62 O ATOM 5 CB MET A 1 12.625 -6.273 -1.953 1.00 13.77 C ATOM 6 CG MET A 1 11.958 -4.876 -1.972 1.00 16.29 C ATOM 7 SD MET A 1 12.454 -3.788 -0.573 1.00 17.17 S ATOM 8 CE MET A 1 11.302 -2.426 -0.842 1.00 16.11 C ATOM 0 H1 MET A 1 13.152 -6.856 -4.536 1.00 9.67 H new ATOM 0 H2 MET A 1 11.682 -7.631 -4.885 1.00 9.67 H new ATOM 0 H3 MET A 1 11.693 -5.994 -4.432 1.00 9.67 H new ATOM 0 HA MET A 1 12.573 -8.234 -2.674 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.606 -6.648 -0.930 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.673 -6.156 -2.230 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.206 -4.379 -2.910 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.875 -5.002 -1.954 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.527 -1.616 -0.148 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.399 -2.064 -1.865 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.282 -2.774 -0.676 1.00 16.11 H new ATOM 20 N GLN A 2 10.328 -8.197 -1.264 1.00 9.27 N ATOM 21 CA GLN A 2 9.023 -8.714 -0.826 1.00 9.07 C ATOM 22 C GLN A 2 8.476 -7.769 0.250 1.00 8.72 C ATOM 23 O GLN A 2 9.231 -7.326 1.126 1.00 8.22 O ATOM 24 CB GLN A 2 9.293 -10.092 -0.219 1.00 14.46 C ATOM 25 CG GLN A 2 8.057 -10.865 0.295 1.00 17.01 C ATOM 26 CD GLN A 2 8.565 -12.246 0.736 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.370 -12.540 1.920 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.125 -13.109 -0.150 1.00 19.49 N ATOM 0 H GLN A 2 11.066 -8.292 -0.566 1.00 9.27 H new ATOM 0 HA GLN A 2 8.303 -8.782 -1.641 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.793 -10.705 -0.969 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.990 -9.971 0.610 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.588 -10.339 1.127 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.304 -10.959 -0.488 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.268 -12.824 -1.119 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.403 -14.042 0.153 1.00 19.49 H new ATOM 37 N ILE A 3 7.155 -7.499 0.200 1.00 5.87 N ATOM 38 CA ILE A 3 6.418 -6.714 1.176 1.00 5.07 C ATOM 39 C ILE A 3 5.083 -7.323 1.339 1.00 4.01 C ATOM 40 O ILE A 3 4.662 -8.106 0.489 1.00 4.61 O ATOM 41 CB ILE A 3 6.188 -5.283 0.863 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.638 -5.159 -0.555 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.428 -4.429 1.140 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.981 -3.760 -0.831 1.00 10.83 C ATOM 0 H ILE A 3 6.562 -7.841 -0.556 1.00 5.87 H new ATOM 0 HA ILE A 3 7.052 -6.728 2.063 1.00 5.07 H new ATOM 0 HB ILE A 3 5.432 -4.876 1.534 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.445 -5.324 -1.269 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.899 -5.942 -0.723 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.215 -3.388 0.897 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.696 -4.508 2.194 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.257 -4.782 0.527 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.607 -3.729 -1.855 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.154 -3.603 -0.138 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.725 -2.975 -0.692 1.00 10.83 H new ATOM 56 N PHE A 4 4.382 -6.977 2.528 1.00 4.55 N ATOM 57 CA PHE A 4 3.101 -7.552 2.899 1.00 4.68 C ATOM 58 C PHE A 4 2.050 -6.440 2.943 1.00 5.30 C ATOM 59 O PHE A 4 2.242 -5.380 3.505 1.00 5.58 O ATOM 60 CB PHE A 4 3.180 -8.287 4.265 1.00 4.83 C ATOM 61 CG PHE A 4 4.100 -9.462 4.133 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.819 -10.538 3.362 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.303 -9.284 4.870 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.834 -11.541 3.269 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.277 -10.260 4.725 1.00 10.61 C ATOM 66 CZ PHE A 4 6.056 -11.402 3.921 1.00 8.90 C ATOM 0 H PHE A 4 4.734 -6.298 3.203 1.00 4.55 H new ATOM 0 HA PHE A 4 2.819 -8.294 2.152 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.543 -7.609 5.037 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.188 -8.618 4.573 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.877 -10.634 2.844 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.451 -8.429 5.513 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.648 -12.427 2.679 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.222 -10.146 5.236 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.823 -12.155 3.814 1.00 8.90 H new ATOM 76 N VAL A 5 0.847 -6.728 2.327 1.00 4.44 N ATOM 77 CA VAL A 5 -0.224 -5.717 2.499 1.00 3.87 C ATOM 78 C VAL A 5 -1.204 -6.348 3.572 1.00 4.93 C ATOM 79 O VAL A 5 -1.643 -7.494 3.518 1.00 6.84 O ATOM 80 CB VAL A 5 -0.809 -5.238 1.197 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.064 -4.394 1.510 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.349 -4.458 0.557 1.00 9.13 C ATOM 0 H VAL A 5 0.624 -7.555 1.773 1.00 4.44 H new ATOM 0 HA VAL A 5 0.134 -4.760 2.880 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.156 -6.012 0.513 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.504 -4.037 0.579 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.791 -5.007 2.043 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.784 -3.542 2.129 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.031 -4.060 -0.407 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.639 -3.636 1.211 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.200 -5.124 0.412 1.00 9.13 H new ATOM 92 N LYS A 6 -1.427 -5.611 4.740 1.00 6.04 N ATOM 93 CA LYS A 6 -2.119 -6.215 5.898 1.00 6.12 C ATOM 94 C LYS A 6 -3.376 -5.479 6.205 1.00 6.57 C ATOM 95 O LYS A 6 -3.304 -4.281 6.490 1.00 5.76 O ATOM 96 CB LYS A 6 -1.163 -6.199 7.094 1.00 7.45 C ATOM 97 CG LYS A 6 -1.654 -6.945 8.368 1.00 11.12 C ATOM 98 CD LYS A 6 -1.562 -8.449 8.158 1.00 14.54 C ATOM 99 CE LYS A 6 -1.847 -9.281 9.378 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.355 -10.613 9.204 1.00 20.55 N ATOM 0 H LYS A 6 -1.140 -4.641 4.872 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.398 -7.243 5.669 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.215 -6.638 6.782 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.962 -5.161 7.359 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.050 -6.652 9.227 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.683 -6.663 8.591 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.261 -8.734 7.371 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.562 -8.690 7.798 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.381 -8.826 10.252 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.920 -9.305 9.566 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.927 -11.271 9.771 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.416 -10.877 8.200 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.364 -10.660 9.514 1.00 20.55 H new ATOM 114 N THR A 7 -4.476 -6.194 6.298 1.00 7.41 N ATOM 115 CA THR A 7 -5.799 -5.612 6.552 1.00 7.48 C ATOM 116 C THR A 7 -6.116 -5.595 8.068 1.00 8.75 C ATOM 117 O THR A 7 -5.472 -6.158 8.926 1.00 8.58 O ATOM 118 CB THR A 7 -6.941 -6.135 5.752 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.454 -7.393 6.203 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.516 -6.516 4.326 1.00 9.17 C ATOM 0 H THR A 7 -4.489 -7.209 6.200 1.00 7.41 H new ATOM 0 HA THR A 7 -5.702 -4.592 6.180 1.00 7.48 H new ATOM 0 HB THR A 7 -7.661 -5.320 5.832 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.112 -7.728 5.558 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.379 -6.893 3.777 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.118 -5.638 3.818 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.748 -7.289 4.369 1.00 9.17 H new ATOM 128 N LEU A 8 -7.224 -4.826 8.391 1.00 9.84 N ATOM 129 CA LEU A 8 -7.744 -4.722 9.778 1.00 14.15 C ATOM 130 C LEU A 8 -8.220 -6.097 10.291 1.00 17.37 C ATOM 131 O LEU A 8 -7.950 -6.558 11.418 1.00 17.01 O ATOM 132 CB LEU A 8 -8.902 -3.688 9.932 1.00 16.63 C ATOM 133 CG LEU A 8 -8.616 -2.227 9.634 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.862 -1.337 9.814 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.514 -1.630 10.497 1.00 18.59 C ATOM 0 H LEU A 8 -7.753 -4.285 7.707 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.907 -4.366 10.379 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.717 -4.005 9.282 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.268 -3.751 10.957 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.294 -2.236 8.593 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.605 -0.302 9.589 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.649 -1.671 9.137 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.214 -1.408 10.843 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.366 -0.584 10.227 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.798 -1.697 11.547 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.587 -2.181 10.336 1.00 18.59 H new ATOM 147 N THR A 9 -8.895 -6.849 9.308 1.00 18.33 N ATOM 148 CA THR A 9 -9.526 -8.115 9.614 1.00 19.24 C ATOM 149 C THR A 9 -8.504 -9.244 9.439 1.00 19.48 C ATOM 150 O THR A 9 -8.862 -10.418 9.581 1.00 23.14 O ATOM 151 CB THR A 9 -10.631 -8.489 8.567 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.183 -8.453 7.174 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.786 -7.470 8.775 1.00 19.70 C ATOM 0 H THR A 9 -8.984 -6.560 8.334 1.00 18.33 H new ATOM 0 HA THR A 9 -9.929 -8.013 10.621 1.00 19.24 H new ATOM 0 HB THR A 9 -10.932 -9.523 8.736 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.270 -8.100 7.133 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.589 -7.682 8.069 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.166 -7.554 9.793 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.414 -6.459 8.608 1.00 19.70 H new ATOM 161 N GLY A 10 -7.196 -8.873 9.358 1.00 19.43 N ATOM 162 CA GLY A 10 -6.089 -9.810 9.490 1.00 18.74 C ATOM 163 C GLY A 10 -5.537 -10.335 8.254 1.00 17.62 C ATOM 164 O GLY A 10 -4.489 -10.996 8.329 1.00 19.74 O ATOM 0 H GLY A 10 -6.899 -7.910 9.199 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.287 -9.317 10.040 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.423 -10.650 10.099 1.00 18.74 H new ATOM 168 N LYS A 11 -6.120 -10.018 7.079 1.00 13.56 N ATOM 169 CA LYS A 11 -5.717 -10.592 5.818 1.00 11.91 C ATOM 170 C LYS A 11 -4.347 -10.111 5.337 1.00 10.18 C ATOM 171 O LYS A 11 -3.900 -8.966 5.500 1.00 9.10 O ATOM 172 CB LYS A 11 -6.814 -10.281 4.768 1.00 13.43 C ATOM 173 CG LYS A 11 -6.751 -11.163 3.484 1.00 16.69 C ATOM 174 CD LYS A 11 -8.007 -10.955 2.578 1.00 17.92 C ATOM 175 CE LYS A 11 -8.104 -11.950 1.452 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.251 -11.645 0.692 1.00 21.93 N ATOM 0 H LYS A 11 -6.887 -9.350 6.999 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.609 -11.668 5.957 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.791 -10.409 5.234 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.734 -9.233 4.478 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.851 -10.920 2.919 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.676 -12.213 3.767 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.905 -11.024 3.193 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.983 -9.948 2.162 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.212 -11.906 0.828 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.168 -12.964 1.846 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.130 -12.001 -0.278 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.083 -12.094 1.124 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.387 -10.614 0.668 1.00 21.93 H new ATOM 190 N THR A 12 -3.522 -11.054 4.712 1.00 9.63 N ATOM 191 CA THR A 12 -2.164 -10.758 4.256 1.00 9.85 C ATOM 192 C THR A 12 -2.017 -11.099 2.814 1.00 11.66 C ATOM 193 O THR A 12 -2.188 -12.239 2.425 1.00 12.33 O ATOM 194 CB THR A 12 -1.017 -11.481 5.043 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.289 -11.363 6.396 1.00 10.91 O ATOM 196 CG2 THR A 12 0.275 -10.711 4.754 1.00 9.63 C ATOM 0 H THR A 12 -3.813 -12.015 4.532 1.00 9.63 H new ATOM 0 HA THR A 12 -2.047 -9.690 4.441 1.00 9.85 H new ATOM 0 HB THR A 12 -0.933 -12.529 4.757 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.670 -11.927 6.905 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.104 -11.180 5.283 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.474 -10.724 3.682 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.167 -9.680 5.090 1.00 9.63 H new ATOM 204 N ILE A 13 -1.569 -10.024 2.040 1.00 10.42 N ATOM 205 CA ILE A 13 -1.316 -10.238 0.606 1.00 11.84 C ATOM 206 C ILE A 13 0.133 -9.935 0.279 1.00 10.55 C ATOM 207 O ILE A 13 0.719 -8.891 0.620 1.00 11.92 O ATOM 208 CB ILE A 13 -2.126 -9.228 -0.223 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.601 -9.277 0.063 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.888 -9.642 -1.688 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.073 -8.046 0.954 1.00 16.46 C ATOM 0 H ILE A 13 -1.396 -9.080 2.384 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.581 -11.271 0.380 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.808 -8.212 0.012 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.153 -9.278 -0.877 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.841 -10.209 0.575 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.433 -8.969 -2.349 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.823 -9.588 -1.913 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.239 -10.663 -1.839 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.145 -8.120 1.138 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.540 -8.060 1.905 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.858 -7.114 0.431 1.00 16.46 H new ATOM 223 N THR A 14 0.944 -10.912 -0.210 1.00 9.39 N ATOM 224 CA THR A 14 2.368 -10.720 -0.420 1.00 9.63 C ATOM 225 C THR A 14 2.672 -10.223 -1.814 1.00 11.20 C ATOM 226 O THR A 14 2.160 -10.775 -2.783 1.00 11.63 O ATOM 227 CB THR A 14 3.130 -12.062 -0.282 1.00 10.38 C ATOM 228 OG1 THR A 14 2.691 -12.562 0.988 1.00 16.30 O ATOM 229 CG2 THR A 14 4.629 -11.726 -0.295 1.00 11.66 C ATOM 0 H THR A 14 0.612 -11.843 -0.462 1.00 9.39 H new ATOM 0 HA THR A 14 2.681 -9.992 0.329 1.00 9.63 H new ATOM 0 HB THR A 14 2.953 -12.796 -1.068 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.133 -12.063 1.706 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.209 -12.644 -0.200 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.883 -11.232 -1.233 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.860 -11.063 0.539 1.00 11.66 H new ATOM 237 N LEU A 15 3.466 -9.197 -1.981 1.00 8.29 N ATOM 238 CA LEU A 15 3.826 -8.633 -3.261 1.00 9.03 C ATOM 239 C LEU A 15 5.343 -8.462 -3.338 1.00 8.59 C ATOM 240 O LEU A 15 6.109 -8.564 -2.375 1.00 7.79 O ATOM 241 CB LEU A 15 3.256 -7.196 -3.396 1.00 11.08 C ATOM 242 CG LEU A 15 1.747 -7.045 -3.407 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.526 -5.574 -3.580 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.018 -7.830 -4.511 1.00 15.27 C ATOM 0 H LEU A 15 3.899 -8.709 -1.197 1.00 8.29 H new ATOM 0 HA LEU A 15 3.439 -9.299 -4.032 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.649 -6.599 -2.573 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.645 -6.764 -4.318 1.00 11.08 H new ATOM 0 HG LEU A 15 1.332 -7.459 -2.488 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.456 -5.367 -3.600 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.984 -5.037 -2.750 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.976 -5.246 -4.517 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.055 -7.656 -4.433 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.370 -7.497 -5.487 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.222 -8.895 -4.396 1.00 15.27 H new ATOM 256 N GLU A 16 5.689 -8.172 -4.658 1.00 11.04 N ATOM 257 CA GLU A 16 7.032 -8.048 -5.140 1.00 11.50 C ATOM 258 C GLU A 16 7.163 -6.650 -5.740 1.00 10.13 C ATOM 259 O GLU A 16 6.473 -6.237 -6.690 1.00 9.83 O ATOM 260 CB GLU A 16 7.333 -9.116 -6.282 1.00 17.22 C ATOM 261 CG GLU A 16 8.504 -8.910 -7.230 1.00 23.33 C ATOM 262 CD GLU A 16 9.911 -9.266 -6.704 1.00 26.99 C ATOM 263 OE1 GLU A 16 10.320 -10.449 -6.936 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.741 -8.433 -6.216 1.00 28.90 O ATOM 0 H GLU A 16 4.990 -8.025 -5.386 1.00 11.04 H new ATOM 0 HA GLU A 16 7.733 -8.215 -4.322 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.478 -10.080 -5.794 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.434 -9.200 -6.892 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.320 -9.501 -8.127 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.512 -7.863 -7.534 1.00 23.33 H new ATOM 271 N VAL A 17 8.022 -5.846 -5.112 1.00 8.99 N ATOM 272 CA VAL A 17 8.185 -4.464 -5.574 1.00 8.85 C ATOM 273 C VAL A 17 9.566 -4.119 -5.424 1.00 8.04 C ATOM 274 O VAL A 17 10.342 -4.860 -4.771 1.00 8.99 O ATOM 275 CB VAL A 17 7.342 -3.481 -4.777 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.785 -3.781 -4.750 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.815 -3.441 -3.314 1.00 10.54 C ATOM 0 H VAL A 17 8.597 -6.112 -4.312 1.00 8.99 H new ATOM 0 HA VAL A 17 7.856 -4.404 -6.611 1.00 8.85 H new ATOM 0 HB VAL A 17 7.482 -2.533 -5.297 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.278 -3.021 -4.155 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.394 -3.766 -5.767 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.611 -4.762 -4.309 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.204 -2.734 -2.753 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.718 -4.433 -2.873 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.858 -3.128 -3.277 1.00 10.54 H new ATOM 287 N GLU A 18 9.982 -2.921 -5.983 1.00 7.29 N ATOM 288 CA GLU A 18 11.308 -2.244 -5.778 1.00 7.08 C ATOM 289 C GLU A 18 11.096 -0.943 -5.003 1.00 6.45 C ATOM 290 O GLU A 18 9.967 -0.409 -4.981 1.00 5.28 O ATOM 291 CB GLU A 18 12.012 -1.887 -7.040 1.00 10.28 C ATOM 292 CG GLU A 18 12.327 -3.050 -8.027 1.00 12.65 C ATOM 293 CD GLU A 18 13.202 -4.030 -7.331 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.418 -3.688 -7.180 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.812 -5.161 -7.062 1.00 18.17 O ATOM 0 H GLU A 18 9.376 -2.390 -6.608 1.00 7.29 H new ATOM 0 HA GLU A 18 11.925 -2.964 -5.241 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.408 -1.149 -7.568 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.952 -1.401 -6.778 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.405 -3.530 -8.354 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.821 -2.667 -8.920 1.00 12.65 H new ATOM 302 N PRO A 19 12.048 -0.378 -4.300 1.00 7.24 N ATOM 303 CA PRO A 19 11.903 0.914 -3.530 1.00 7.07 C ATOM 304 C PRO A 19 11.488 2.132 -4.375 1.00 6.65 C ATOM 305 O PRO A 19 10.944 3.056 -3.804 1.00 6.37 O ATOM 306 CB PRO A 19 13.292 1.113 -2.811 1.00 7.61 C ATOM 307 CG PRO A 19 13.770 -0.310 -2.674 1.00 8.16 C ATOM 308 CD PRO A 19 13.278 -0.996 -3.932 1.00 7.49 C ATOM 0 HA PRO A 19 11.075 0.841 -2.825 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.977 1.720 -3.403 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.186 1.604 -1.844 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.856 -0.358 -2.594 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.363 -0.781 -1.779 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.011 -0.900 -4.733 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.135 -2.062 -3.757 1.00 7.49 H new ATOM 316 N SER A 20 11.747 2.051 -5.686 1.00 6.80 N ATOM 317 CA SER A 20 11.398 3.113 -6.670 1.00 6.28 C ATOM 318 C SER A 20 9.933 2.969 -7.180 1.00 8.45 C ATOM 319 O SER A 20 9.389 3.942 -7.770 1.00 7.26 O ATOM 320 CB SER A 20 12.334 3.032 -7.893 1.00 8.57 C ATOM 321 OG SER A 20 13.718 3.190 -7.597 1.00 11.13 O ATOM 0 H SER A 20 12.208 1.245 -6.109 1.00 6.80 H new ATOM 0 HA SER A 20 11.508 4.069 -6.158 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.189 2.068 -8.381 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.040 3.799 -8.609 1.00 8.57 H new ATOM 0 HG SER A 20 14.239 3.124 -8.424 1.00 11.13 H new ATOM 327 N ASP A 21 9.218 1.904 -6.878 1.00 7.50 N ATOM 328 CA ASP A 21 7.765 1.726 -7.079 1.00 7.70 C ATOM 329 C ASP A 21 6.996 2.785 -6.274 1.00 7.08 C ATOM 330 O ASP A 21 7.195 3.003 -5.043 1.00 8.11 O ATOM 331 CB ASP A 21 7.294 0.371 -6.580 1.00 11.00 C ATOM 332 CG ASP A 21 7.479 -0.487 -7.748 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.934 -0.182 -8.849 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.130 -1.554 -7.629 1.00 18.03 O ATOM 0 H ASP A 21 9.648 1.080 -6.459 1.00 7.50 H new ATOM 0 HA ASP A 21 7.578 1.815 -8.149 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.881 0.027 -5.729 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.253 0.398 -6.259 1.00 11.00 H new ATOM 339 N THR A 22 6.029 3.456 -6.964 1.00 5.37 N ATOM 340 CA THR A 22 5.159 4.432 -6.313 1.00 6.01 C ATOM 341 C THR A 22 4.155 3.728 -5.402 1.00 8.01 C ATOM 342 O THR A 22 3.824 2.529 -5.547 1.00 8.11 O ATOM 343 CB THR A 22 4.237 5.383 -7.120 1.00 8.92 C ATOM 344 OG1 THR A 22 3.412 4.628 -8.062 1.00 10.22 O ATOM 345 CG2 THR A 22 5.100 6.330 -7.956 1.00 9.65 C ATOM 0 H THR A 22 5.848 3.328 -7.960 1.00 5.37 H new ATOM 0 HA THR A 22 5.942 5.048 -5.872 1.00 6.01 H new ATOM 0 HB THR A 22 3.609 5.923 -6.411 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.837 5.245 -8.560 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.457 7.001 -8.526 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.742 6.915 -7.297 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.717 5.750 -8.642 1.00 9.65 H new ATOM 353 N ILE A 23 3.616 4.473 -4.450 1.00 8.32 N ATOM 354 CA ILE A 23 2.493 4.035 -3.614 1.00 9.92 C ATOM 355 C ILE A 23 1.309 3.645 -4.553 1.00 10.01 C ATOM 356 O ILE A 23 0.625 2.636 -4.313 1.00 8.71 O ATOM 357 CB ILE A 23 2.067 5.136 -2.581 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.217 5.568 -1.699 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.855 4.750 -1.670 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.726 4.471 -0.809 1.00 12.30 C ATOM 0 H ILE A 23 3.946 5.412 -4.228 1.00 8.32 H new ATOM 0 HA ILE A 23 2.798 3.171 -3.023 1.00 9.92 H new ATOM 0 HB ILE A 23 1.746 5.963 -3.214 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.033 5.926 -2.327 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.898 6.408 -1.082 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.635 5.573 -0.990 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.018 4.549 -2.291 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.103 3.859 -1.093 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.550 4.847 -0.203 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.922 4.129 -0.157 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.076 3.639 -1.420 1.00 12.30 H new ATOM 372 N GLU A 24 1.002 4.395 -5.673 1.00 9.54 N ATOM 373 CA GLU A 24 -0.087 4.115 -6.553 1.00 11.81 C ATOM 374 C GLU A 24 0.100 2.741 -7.257 1.00 11.14 C ATOM 375 O GLU A 24 -0.775 1.906 -7.209 1.00 10.62 O ATOM 376 CB GLU A 24 -0.390 5.252 -7.502 1.00 19.24 C ATOM 377 CG GLU A 24 -1.697 5.160 -8.232 1.00 27.76 C ATOM 378 CD GLU A 24 -2.125 6.349 -8.947 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.758 7.292 -8.421 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.712 6.363 -10.132 1.00 34.80 O ATOM 0 H GLU A 24 1.543 5.214 -5.951 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.986 4.030 -5.942 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.375 6.185 -6.939 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.412 5.311 -8.237 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.632 4.338 -8.945 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.472 4.897 -7.512 1.00 27.76 H new ATOM 387 N ASN A 25 1.319 2.393 -7.633 1.00 9.43 N ATOM 388 CA ASN A 25 1.770 1.041 -8.164 1.00 10.96 C ATOM 389 C ASN A 25 1.590 -0.092 -7.133 1.00 9.68 C ATOM 390 O ASN A 25 1.366 -1.259 -7.529 1.00 9.33 O ATOM 391 CB ASN A 25 3.236 1.125 -8.627 1.00 16.78 C ATOM 392 CG ASN A 25 3.560 2.126 -9.723 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.718 2.501 -9.879 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.601 2.605 -10.538 1.00 24.70 N ATOM 0 H ASN A 25 2.092 3.057 -7.588 1.00 9.43 H new ATOM 0 HA ASN A 25 1.132 0.794 -9.013 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.852 1.363 -7.759 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.539 0.136 -8.972 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.842 3.270 -11.273 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.634 2.303 -10.421 1.00 24.70 H new ATOM 401 N VAL A 26 1.671 0.157 -5.834 1.00 6.52 N ATOM 402 CA VAL A 26 1.367 -0.868 -4.851 1.00 5.53 C ATOM 403 C VAL A 26 -0.124 -1.179 -4.676 1.00 4.42 C ATOM 404 O VAL A 26 -0.574 -2.317 -4.583 1.00 3.40 O ATOM 405 CB VAL A 26 2.036 -0.467 -3.524 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.907 -1.555 -2.432 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.569 -0.308 -3.733 1.00 8.12 C ATOM 0 H VAL A 26 1.944 1.057 -5.439 1.00 6.52 H new ATOM 0 HA VAL A 26 1.772 -1.810 -5.220 1.00 5.53 H new ATOM 0 HB VAL A 26 1.538 0.452 -3.214 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.398 -1.215 -1.520 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.853 -1.743 -2.228 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.380 -2.475 -2.777 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.037 -0.024 -2.791 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.989 -1.253 -4.077 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.756 0.465 -4.478 1.00 8.12 H new ATOM 417 N LYS A 27 -0.938 -0.096 -4.703 1.00 2.64 N ATOM 418 CA LYS A 27 -2.327 -0.174 -4.664 1.00 4.14 C ATOM 419 C LYS A 27 -3.042 -0.751 -5.893 1.00 5.58 C ATOM 420 O LYS A 27 -4.130 -1.317 -5.907 1.00 4.11 O ATOM 421 CB LYS A 27 -2.936 1.170 -4.303 1.00 3.97 C ATOM 422 CG LYS A 27 -2.377 1.801 -2.925 1.00 7.45 C ATOM 423 CD LYS A 27 -3.069 3.096 -2.454 1.00 9.02 C ATOM 424 CE LYS A 27 -3.212 4.203 -3.511 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.917 5.363 -2.979 1.00 15.47 N ATOM 0 H LYS A 27 -0.587 0.860 -4.754 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.500 -0.917 -3.886 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.746 1.872 -5.115 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.017 1.057 -4.226 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.474 1.052 -2.139 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.312 2.002 -3.044 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.063 2.841 -2.086 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.510 3.497 -1.609 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.224 4.505 -3.859 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.750 3.814 -4.376 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.593 6.221 -3.469 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.940 5.245 -3.126 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.722 5.451 -1.961 1.00 15.47 H new ATOM 439 N ALA A 28 -2.399 -0.594 -7.079 1.00 6.61 N ATOM 440 CA ALA A 28 -2.638 -1.231 -8.439 1.00 7.74 C ATOM 441 C ALA A 28 -2.545 -2.718 -8.395 1.00 9.17 C ATOM 442 O ALA A 28 -3.427 -3.397 -8.976 1.00 11.45 O ATOM 443 CB ALA A 28 -1.732 -0.736 -9.628 1.00 7.68 C ATOM 0 H ALA A 28 -1.609 0.050 -7.132 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.652 -0.894 -8.654 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.004 -1.269 -10.539 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.878 0.334 -9.776 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.685 -0.930 -9.393 1.00 7.68 H new ATOM 449 N LYS A 29 -1.572 -3.362 -7.778 1.00 8.96 N ATOM 450 CA LYS A 29 -1.516 -4.766 -7.727 1.00 7.90 C ATOM 451 C LYS A 29 -2.560 -5.284 -6.671 1.00 6.92 C ATOM 452 O LYS A 29 -3.177 -6.325 -6.963 1.00 6.87 O ATOM 453 CB LYS A 29 -0.137 -5.186 -7.241 1.00 10.28 C ATOM 454 CG LYS A 29 1.039 -4.727 -8.105 1.00 14.94 C ATOM 455 CD LYS A 29 2.468 -5.057 -7.456 1.00 19.69 C ATOM 456 CE LYS A 29 3.655 -4.378 -8.073 1.00 22.63 C ATOM 457 NZ LYS A 29 3.504 -4.555 -9.533 1.00 24.98 N ATOM 0 H LYS A 29 -0.801 -2.896 -7.300 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.726 -5.173 -8.716 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.005 -4.800 -6.232 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.112 -6.274 -7.173 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.972 -5.206 -9.082 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.962 -3.652 -8.270 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.433 -4.790 -6.400 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.626 -6.134 -7.508 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.683 -3.321 -7.808 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.586 -4.820 -7.719 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.414 -4.369 -10.001 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.203 -5.530 -9.735 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.789 -3.891 -9.891 1.00 24.98 H new ATOM 471 N ILE A 30 -2.814 -4.567 -5.546 1.00 4.57 N ATOM 472 CA ILE A 30 -3.914 -4.938 -4.651 1.00 5.58 C ATOM 473 C ILE A 30 -5.294 -4.746 -5.206 1.00 7.26 C ATOM 474 O ILE A 30 -6.176 -5.505 -4.952 1.00 9.46 O ATOM 475 CB ILE A 30 -3.668 -4.215 -3.304 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.288 -4.606 -2.628 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.802 -4.603 -2.259 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.933 -6.129 -2.540 1.00 2.00 C ATOM 0 H ILE A 30 -2.280 -3.749 -5.251 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.900 -6.019 -4.510 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.666 -3.151 -3.541 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.490 -4.106 -3.177 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.282 -4.200 -1.616 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.619 -4.089 -1.316 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.775 -4.306 -2.651 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.791 -5.680 -2.093 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.964 -6.249 -2.056 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.696 -6.647 -1.959 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -1.892 -6.552 -3.544 1.00 2.00 H new ATOM 490 N GLN A 31 -5.575 -3.746 -6.066 1.00 7.06 N ATOM 491 CA GLN A 31 -6.776 -3.612 -6.924 1.00 8.67 C ATOM 492 C GLN A 31 -6.969 -4.890 -7.763 1.00 10.90 C ATOM 493 O GLN A 31 -8.095 -5.304 -7.803 1.00 9.63 O ATOM 494 CB GLN A 31 -6.660 -2.404 -7.878 1.00 9.12 C ATOM 495 CG GLN A 31 -7.974 -2.263 -8.769 1.00 10.76 C ATOM 496 CD GLN A 31 -7.863 -1.146 -9.807 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.778 -0.361 -9.917 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.738 -1.039 -10.542 1.00 14.76 N ATOM 0 H GLN A 31 -4.933 -2.963 -6.190 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.632 -3.458 -6.267 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.506 -1.492 -7.301 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.789 -2.525 -8.522 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.167 -3.208 -9.277 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.829 -2.068 -8.121 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.986 -1.718 -10.425 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.639 -0.279 -11.215 1.00 14.76 H new ATOM 507 N ASP A 32 -5.972 -5.368 -8.494 1.00 10.93 N ATOM 508 CA ASP A 32 -6.058 -6.689 -9.226 1.00 14.01 C ATOM 509 C ASP A 32 -6.289 -7.895 -8.331 1.00 14.04 C ATOM 510 O ASP A 32 -7.356 -8.523 -8.450 1.00 13.39 O ATOM 511 CB ASP A 32 -4.734 -6.897 -10.046 1.00 18.01 C ATOM 512 CG ASP A 32 -4.947 -7.936 -11.085 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.833 -7.776 -11.953 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.179 -8.942 -11.178 1.00 25.17 O ATOM 0 H ASP A 32 -5.082 -4.885 -8.615 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.934 -6.627 -9.872 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.433 -5.959 -10.512 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.925 -7.196 -9.379 1.00 18.01 H new ATOM 519 N LYS A 33 -5.469 -8.149 -7.354 1.00 14.22 N ATOM 520 CA LYS A 33 -5.701 -9.191 -6.347 1.00 14.00 C ATOM 521 C LYS A 33 -7.086 -9.166 -5.591 1.00 12.37 C ATOM 522 O LYS A 33 -7.836 -10.130 -5.451 1.00 12.17 O ATOM 523 CB LYS A 33 -4.606 -9.077 -5.287 1.00 18.62 C ATOM 524 CG LYS A 33 -3.275 -9.540 -5.707 1.00 24.00 C ATOM 525 CD LYS A 33 -2.929 -11.078 -5.756 1.00 27.61 C ATOM 526 CE LYS A 33 -1.547 -11.388 -6.262 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.112 -12.730 -6.007 1.00 30.06 N ATOM 0 H LYS A 33 -4.597 -7.638 -7.215 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.697 -10.122 -6.913 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.529 -8.035 -4.978 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.911 -9.648 -4.410 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.098 -9.141 -6.706 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.549 -9.070 -5.043 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.038 -11.495 -4.755 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.657 -11.582 -6.392 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.517 -11.207 -7.336 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.841 -10.696 -5.802 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.153 -12.862 -6.386 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.106 -12.904 -4.982 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.761 -13.399 -6.468 1.00 30.06 H new ATOM 541 N GLU A 34 -7.371 -8.026 -4.994 1.00 10.11 N ATOM 542 CA GLU A 34 -8.438 -7.958 -4.011 1.00 10.07 C ATOM 543 C GLU A 34 -9.651 -7.089 -4.422 1.00 9.32 C ATOM 544 O GLU A 34 -10.637 -7.118 -3.714 1.00 11.61 O ATOM 545 CB GLU A 34 -7.886 -7.429 -2.638 1.00 14.77 C ATOM 546 CG GLU A 34 -7.137 -8.496 -1.814 1.00 18.75 C ATOM 547 CD GLU A 34 -8.156 -9.487 -1.249 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.924 -9.085 -0.354 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.204 -10.676 -1.717 1.00 25.19 O ATOM 0 H GLU A 34 -6.888 -7.145 -5.167 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.802 -8.982 -3.928 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.214 -6.591 -2.826 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.717 -7.045 -2.047 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.412 -9.016 -2.440 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.580 -8.025 -1.004 1.00 18.75 H new ATOM 556 N GLY A 35 -9.612 -6.368 -5.615 1.00 7.22 N ATOM 557 CA GLY A 35 -10.835 -5.816 -6.184 1.00 6.29 C ATOM 558 C GLY A 35 -11.196 -4.492 -5.666 1.00 6.93 C ATOM 559 O GLY A 35 -12.266 -3.973 -5.897 1.00 7.41 O ATOM 0 H GLY A 35 -8.765 -6.183 -6.152 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.722 -5.752 -7.266 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.656 -6.506 -5.990 1.00 6.29 H new ATOM 563 N ILE A 36 -10.253 -3.886 -4.989 1.00 5.86 N ATOM 564 CA ILE A 36 -10.506 -2.605 -4.355 1.00 6.07 C ATOM 565 C ILE A 36 -9.886 -1.432 -5.176 1.00 6.36 C ATOM 566 O ILE A 36 -8.696 -1.587 -5.410 1.00 6.18 O ATOM 567 CB ILE A 36 -9.878 -2.550 -2.987 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.354 -3.787 -2.142 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.306 -1.234 -2.265 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.677 -3.892 -0.702 1.00 9.49 C ATOM 0 H ILE A 36 -9.309 -4.250 -4.860 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.589 -2.502 -4.295 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.793 -2.571 -3.087 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.436 -3.735 -2.020 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.139 -4.699 -2.700 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.850 -1.197 -1.276 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.976 -0.375 -2.849 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.391 -1.210 -2.166 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.059 -4.772 -0.184 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.596 -3.977 -0.813 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.913 -2.999 -0.123 1.00 9.49 H new ATOM 582 N PRO A 37 -10.437 -0.335 -5.601 1.00 8.65 N ATOM 583 CA PRO A 37 -9.759 0.697 -6.479 1.00 9.18 C ATOM 584 C PRO A 37 -8.604 1.337 -5.725 1.00 9.85 C ATOM 585 O PRO A 37 -8.789 1.576 -4.524 1.00 8.51 O ATOM 586 CB PRO A 37 -10.956 1.649 -6.891 1.00 11.42 C ATOM 587 CG PRO A 37 -12.152 0.727 -6.868 1.00 9.27 C ATOM 588 CD PRO A 37 -11.882 -0.136 -5.664 1.00 8.33 C ATOM 0 HA PRO A 37 -9.270 0.321 -7.378 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.072 2.477 -6.191 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.802 2.085 -7.878 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.087 1.279 -6.769 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.226 0.136 -7.781 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.246 0.344 -4.755 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.400 -1.091 -5.749 1.00 8.33 H new ATOM 596 N PRO A 38 -7.487 1.725 -6.319 1.00 8.71 N ATOM 597 CA PRO A 38 -6.506 2.651 -5.700 1.00 9.08 C ATOM 598 C PRO A 38 -7.031 3.897 -4.969 1.00 9.28 C ATOM 599 O PRO A 38 -6.412 4.182 -3.925 1.00 6.50 O ATOM 600 CB PRO A 38 -5.494 3.103 -6.741 1.00 10.31 C ATOM 601 CG PRO A 38 -5.709 1.995 -7.795 1.00 10.81 C ATOM 602 CD PRO A 38 -7.156 1.584 -7.710 1.00 12.00 C ATOM 0 HA PRO A 38 -6.079 2.038 -4.907 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.707 4.099 -7.129 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.475 3.123 -6.355 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.470 2.360 -8.794 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.054 1.145 -7.601 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.786 2.217 -8.334 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.298 0.558 -8.050 1.00 12.00 H new ATOM 610 N ASP A 39 -8.109 4.548 -5.396 1.00 11.20 N ATOM 611 CA ASP A 39 -8.684 5.684 -4.678 1.00 14.96 C ATOM 612 C ASP A 39 -9.277 5.299 -3.307 1.00 13.99 C ATOM 613 O ASP A 39 -9.310 6.038 -2.333 1.00 13.75 O ATOM 614 CB ASP A 39 -9.800 6.333 -5.567 1.00 24.16 C ATOM 615 CG ASP A 39 -10.307 7.610 -4.952 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.393 8.460 -4.708 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.506 7.732 -4.662 1.00 34.22 O ATOM 0 H ASP A 39 -8.610 4.304 -6.250 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.876 6.389 -4.483 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.404 6.537 -6.562 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.625 5.632 -5.690 1.00 24.16 H new ATOM 622 N GLN A 40 -9.737 4.028 -3.165 1.00 11.60 N ATOM 623 CA GLN A 40 -10.334 3.588 -1.940 1.00 10.76 C ATOM 624 C GLN A 40 -9.350 2.899 -1.012 1.00 8.01 C ATOM 625 O GLN A 40 -9.738 2.336 0.019 1.00 8.96 O ATOM 626 CB GLN A 40 -11.539 2.635 -2.176 1.00 11.14 C ATOM 627 CG GLN A 40 -12.859 3.276 -2.726 1.00 14.85 C ATOM 628 CD GLN A 40 -13.982 2.175 -2.598 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.569 1.741 -3.556 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.327 1.857 -1.331 1.00 18.16 N ATOM 0 H GLN A 40 -9.693 3.317 -3.895 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.683 4.504 -1.463 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.224 1.858 -2.873 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.770 2.142 -1.232 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.123 4.167 -2.157 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.736 3.585 -3.764 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.804 2.246 -0.547 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.111 1.228 -1.159 1.00 18.16 H new ATOM 639 N GLN A 41 -8.054 2.907 -1.344 1.00 6.52 N ATOM 640 CA GLN A 41 -6.982 2.335 -0.635 1.00 3.87 C ATOM 641 C GLN A 41 -6.147 3.408 0.036 1.00 4.79 C ATOM 642 O GLN A 41 -5.428 4.170 -0.596 1.00 6.34 O ATOM 643 CB GLN A 41 -6.164 1.339 -1.466 1.00 4.20 C ATOM 644 CG GLN A 41 -6.986 0.196 -1.941 1.00 3.20 C ATOM 645 CD GLN A 41 -6.033 -0.697 -2.745 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.987 -1.068 -2.219 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.318 -0.894 -4.029 1.00 7.13 N ATOM 0 H GLN A 41 -7.736 3.364 -2.199 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.407 1.722 0.160 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.731 1.854 -2.323 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.334 0.964 -0.867 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.419 -0.349 -1.103 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.815 0.540 -2.560 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.204 -0.563 -4.411 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.651 -1.376 -4.631 1.00 7.13 H new ATOM 656 N ARG A 42 -6.235 3.462 1.398 1.00 5.73 N ATOM 657 CA ARG A 42 -5.256 4.168 2.250 1.00 6.97 C ATOM 658 C ARG A 42 -4.244 3.180 2.828 1.00 7.15 C ATOM 659 O ARG A 42 -4.582 2.073 3.261 1.00 7.33 O ATOM 660 CB ARG A 42 -5.949 5.003 3.437 1.00 13.23 C ATOM 661 CG ARG A 42 -6.813 6.157 2.975 1.00 21.27 C ATOM 662 CD ARG A 42 -7.594 6.837 4.091 1.00 26.14 C ATOM 663 NE ARG A 42 -8.223 8.014 3.414 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.105 8.818 4.013 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.696 8.483 5.145 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.454 9.905 3.412 1.00 36.39 N ATOM 0 H ARG A 42 -6.987 3.016 1.924 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.744 4.886 1.610 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.560 4.324 4.032 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.170 5.390 4.094 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.180 6.898 2.486 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.515 5.793 2.225 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.345 6.172 4.518 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.941 7.146 4.907 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.965 8.212 2.447 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.483 7.588 5.586 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.366 9.119 5.578 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.058 10.133 2.500 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.126 10.536 3.849 1.00 36.39 H new ATOM 680 N LEU A 43 -2.996 3.593 2.878 1.00 4.65 N ATOM 681 CA LEU A 43 -1.914 2.782 3.391 1.00 3.51 C ATOM 682 C LEU A 43 -1.133 3.476 4.459 1.00 5.56 C ATOM 683 O LEU A 43 -0.779 4.615 4.330 1.00 4.19 O ATOM 684 CB LEU A 43 -0.905 2.474 2.363 1.00 3.74 C ATOM 685 CG LEU A 43 -1.391 1.413 1.297 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.478 1.378 0.086 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.643 0.031 1.807 1.00 6.41 C ATOM 0 H LEU A 43 -2.701 4.516 2.559 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.417 1.889 3.761 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.631 3.395 1.848 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.004 2.101 2.850 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.376 1.781 1.008 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.844 0.637 -0.625 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.464 2.359 -0.388 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.532 1.112 0.399 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.971 -0.606 0.985 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.725 -0.372 2.234 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.417 0.062 2.574 1.00 6.41 H new ATOM 699 N ILE A 44 -0.867 2.775 5.520 1.00 4.58 N ATOM 700 CA ILE A 44 -0.171 3.237 6.715 1.00 5.55 C ATOM 701 C ILE A 44 1.194 2.420 6.905 1.00 5.46 C ATOM 702 O ILE A 44 1.213 1.202 6.919 1.00 6.04 O ATOM 703 CB ILE A 44 -0.958 2.964 8.001 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.432 3.457 7.887 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.381 3.725 9.174 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.731 4.831 7.346 1.00 13.90 C ATOM 0 H ILE A 44 -1.144 1.796 5.593 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.023 4.307 6.568 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.903 1.885 8.149 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.965 2.740 7.262 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.870 3.399 8.883 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.963 3.509 10.070 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.654 3.421 9.331 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.418 4.795 8.967 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.809 4.994 7.343 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.252 5.582 7.975 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.349 4.913 6.328 1.00 13.90 H new ATOM 718 N PHE A 45 2.251 3.140 7.025 1.00 6.75 N ATOM 719 CA PHE A 45 3.506 2.509 7.403 1.00 4.70 C ATOM 720 C PHE A 45 4.189 3.491 8.404 1.00 6.34 C ATOM 721 O PHE A 45 4.190 4.675 8.161 1.00 5.45 O ATOM 722 CB PHE A 45 4.319 2.209 6.085 1.00 5.51 C ATOM 723 CG PHE A 45 5.715 1.647 6.338 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.967 0.308 6.686 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.816 2.539 6.415 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.224 -0.139 7.039 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.078 2.157 6.631 1.00 6.64 C ATOM 728 CZ PHE A 45 8.254 0.806 7.024 1.00 6.84 C ATOM 0 H PHE A 45 2.294 4.148 6.875 1.00 6.75 H new ATOM 0 HA PHE A 45 3.406 1.546 7.903 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.757 1.501 5.476 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.407 3.128 5.506 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.148 -0.396 6.677 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.621 3.594 6.291 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.403 -1.168 7.313 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.911 2.834 6.514 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.240 0.489 7.329 1.00 6.84 H new ATOM 738 N ALA A 46 4.891 3.001 9.475 1.00 6.53 N ATOM 739 CA ALA A 46 5.663 3.768 10.410 1.00 7.15 C ATOM 740 C ALA A 46 4.905 4.973 11.048 1.00 9.00 C ATOM 741 O ALA A 46 5.391 6.062 11.345 1.00 11.15 O ATOM 742 CB ALA A 46 7.009 4.170 9.892 1.00 8.99 C ATOM 0 H ALA A 46 4.910 2.004 9.688 1.00 6.53 H new ATOM 0 HA ALA A 46 5.836 3.066 11.226 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.535 4.746 10.653 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.587 3.278 9.649 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.887 4.778 8.996 1.00 8.99 H new ATOM 748 N GLY A 47 3.582 4.815 11.272 1.00 9.35 N ATOM 749 CA GLY A 47 2.724 5.893 11.837 1.00 11.68 C ATOM 750 C GLY A 47 2.284 6.873 10.737 1.00 11.14 C ATOM 751 O GLY A 47 1.438 7.757 11.079 1.00 13.93 O ATOM 0 H GLY A 47 3.079 3.951 11.071 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.846 5.454 12.312 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.271 6.430 12.612 1.00 11.68 H new ATOM 755 N LYS A 48 2.742 6.760 9.487 1.00 10.47 N ATOM 756 CA LYS A 48 2.577 7.706 8.436 1.00 8.82 C ATOM 757 C LYS A 48 1.553 7.104 7.467 1.00 7.68 C ATOM 758 O LYS A 48 1.718 5.976 6.984 1.00 6.47 O ATOM 759 CB LYS A 48 3.827 8.031 7.583 1.00 9.74 C ATOM 760 CG LYS A 48 4.915 8.945 8.258 1.00 14.14 C ATOM 761 CD LYS A 48 6.181 8.890 7.398 1.00 16.32 C ATOM 762 CE LYS A 48 7.239 9.866 7.955 1.00 20.04 C ATOM 763 NZ LYS A 48 8.368 10.070 7.040 1.00 23.92 N ATOM 0 H LYS A 48 3.271 5.941 9.186 1.00 10.47 H new ATOM 0 HA LYS A 48 2.296 8.638 8.926 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.300 7.091 7.297 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.497 8.514 6.663 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.554 9.970 8.339 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.127 8.601 9.270 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.580 7.876 7.387 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.942 9.149 6.367 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.767 10.827 8.161 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.613 9.485 8.905 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.045 10.734 7.467 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.840 9.160 6.863 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.020 10.461 6.141 1.00 23.92 H new ATOM 777 N GLN A 49 0.571 7.915 7.029 1.00 8.89 N ATOM 778 CA GLN A 49 -0.257 7.492 5.891 1.00 7.18 C ATOM 779 C GLN A 49 0.346 7.962 4.596 1.00 8.23 C ATOM 780 O GLN A 49 0.669 9.144 4.407 1.00 9.70 O ATOM 781 CB GLN A 49 -1.630 8.175 6.144 1.00 11.67 C ATOM 782 CG GLN A 49 -2.677 7.834 5.095 1.00 15.82 C ATOM 783 CD GLN A 49 -4.069 8.336 5.408 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.776 7.803 6.256 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.549 9.193 4.493 1.00 20.67 N ATOM 0 H GLN A 49 0.340 8.826 7.426 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.341 6.408 5.812 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.000 7.878 7.125 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.491 9.256 6.169 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.362 8.249 4.138 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.714 6.751 4.976 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.921 9.611 3.807 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.542 9.426 4.484 1.00 20.67 H new ATOM 794 N LEU A 50 0.536 6.997 3.627 1.00 6.51 N ATOM 795 CA LEU A 50 1.360 7.182 2.465 1.00 7.41 C ATOM 796 C LEU A 50 0.611 7.816 1.288 1.00 8.27 C ATOM 797 O LEU A 50 -0.571 7.548 1.135 1.00 8.34 O ATOM 798 CB LEU A 50 1.939 5.860 1.994 1.00 7.13 C ATOM 799 CG LEU A 50 2.582 5.080 3.158 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.241 3.818 2.609 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.549 5.900 3.998 1.00 9.11 C ATOM 0 H LEU A 50 0.099 6.076 3.671 1.00 6.51 H new ATOM 0 HA LEU A 50 2.151 7.863 2.778 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.152 5.257 1.541 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.685 6.043 1.221 1.00 7.13 H new ATOM 0 HG LEU A 50 1.783 4.812 3.849 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.698 3.261 3.427 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.489 3.197 2.123 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.008 4.093 1.885 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.957 5.278 4.795 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.362 6.262 3.368 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.022 6.749 4.434 1.00 9.11 H new ATOM 813 N GLU A 51 1.290 8.654 0.464 1.00 9.43 N ATOM 814 CA GLU A 51 0.609 9.374 -0.669 1.00 11.90 C ATOM 815 C GLU A 51 0.867 8.770 -2.052 1.00 11.49 C ATOM 816 O GLU A 51 2.028 8.513 -2.382 1.00 9.88 O ATOM 817 CB GLU A 51 0.867 10.869 -0.596 1.00 16.56 C ATOM 818 CG GLU A 51 0.269 11.681 0.589 1.00 26.06 C ATOM 819 CD GLU A 51 -1.222 11.894 0.449 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.724 11.961 -0.702 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.998 12.026 1.432 1.00 33.44 O ATOM 0 H GLU A 51 2.287 8.852 0.550 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.462 9.223 -0.530 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.947 11.016 -0.584 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.495 11.313 -1.520 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.472 11.158 1.523 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.767 12.649 0.651 1.00 26.06 H new ATOM 828 N ASP A 52 -0.100 8.669 -2.978 1.00 12.71 N ATOM 829 CA ASP A 52 -0.092 7.967 -4.190 1.00 16.56 C ATOM 830 C ASP A 52 1.066 8.089 -5.120 1.00 15.83 C ATOM 831 O ASP A 52 1.625 7.134 -5.583 1.00 17.21 O ATOM 832 CB ASP A 52 -1.297 8.385 -5.083 1.00 21.05 C ATOM 833 CG ASP A 52 -2.552 8.528 -4.282 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.694 9.596 -3.532 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.458 7.651 -4.336 1.00 28.37 O ATOM 0 H ASP A 52 -0.991 9.146 -2.841 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.089 6.952 -3.794 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.072 9.329 -5.580 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.447 7.641 -5.865 1.00 21.05 H new ATOM 840 N GLY A 53 1.430 9.347 -5.376 1.00 15.00 N ATOM 841 CA GLY A 53 2.514 9.669 -6.313 1.00 11.77 C ATOM 842 C GLY A 53 3.937 9.590 -5.827 1.00 11.10 C ATOM 843 O GLY A 53 4.949 9.789 -6.540 1.00 11.25 O ATOM 0 H GLY A 53 0.991 10.162 -4.948 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.420 9.001 -7.170 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.345 10.682 -6.678 1.00 11.77 H new ATOM 847 N ARG A 54 4.101 9.256 -4.516 1.00 8.53 N ATOM 848 CA ARG A 54 5.416 9.155 -3.895 1.00 9.05 C ATOM 849 C ARG A 54 5.882 7.720 -3.866 1.00 8.96 C ATOM 850 O ARG A 54 5.041 6.907 -4.171 1.00 11.60 O ATOM 851 CB ARG A 54 5.425 9.788 -2.487 1.00 7.97 C ATOM 852 CG ARG A 54 5.181 11.268 -2.487 1.00 9.62 C ATOM 853 CD ARG A 54 6.537 12.001 -2.854 1.00 12.20 C ATOM 854 NE ARG A 54 6.216 13.418 -2.976 1.00 18.23 N ATOM 855 CZ ARG A 54 7.083 14.438 -2.864 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.380 14.255 -2.661 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.613 15.689 -2.988 1.00 23.38 N ATOM 0 H ARG A 54 3.326 9.055 -3.884 1.00 8.53 H new ATOM 0 HA ARG A 54 6.122 9.722 -4.502 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.663 9.304 -1.876 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.387 9.588 -2.015 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.405 11.524 -3.208 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.827 11.594 -1.509 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.289 11.838 -2.082 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.948 11.614 -3.786 1.00 12.20 H new ATOM 0 HE ARG A 54 5.242 13.657 -3.164 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.756 13.310 -2.584 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.002 15.059 -2.582 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.620 15.846 -3.163 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.248 16.483 -2.908 1.00 23.38 H new ATOM 871 N THR A 55 7.170 7.367 -3.598 1.00 9.05 N ATOM 872 CA THR A 55 7.688 6.001 -3.688 1.00 9.03 C ATOM 873 C THR A 55 7.859 5.397 -2.354 1.00 8.15 C ATOM 874 O THR A 55 7.895 6.162 -1.380 1.00 5.91 O ATOM 875 CB THR A 55 9.004 5.808 -4.478 1.00 11.15 C ATOM 876 OG1 THR A 55 10.141 6.265 -3.800 1.00 11.95 O ATOM 877 CG2 THR A 55 8.883 6.517 -5.810 1.00 11.71 C ATOM 0 H THR A 55 7.876 8.045 -3.310 1.00 9.05 H new ATOM 0 HA THR A 55 6.913 5.496 -4.265 1.00 9.03 H new ATOM 0 HB THR A 55 9.143 4.735 -4.612 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.189 7.242 -3.863 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.805 6.388 -6.376 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.050 6.095 -6.372 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.706 7.579 -5.642 1.00 11.71 H new ATOM 885 N LEU A 56 8.012 4.086 -2.250 1.00 6.91 N ATOM 886 CA LEU A 56 8.408 3.317 -1.156 1.00 8.29 C ATOM 887 C LEU A 56 9.689 3.888 -0.551 1.00 8.05 C ATOM 888 O LEU A 56 9.787 4.089 0.663 1.00 10.17 O ATOM 889 CB LEU A 56 8.566 1.830 -1.612 1.00 6.60 C ATOM 890 CG LEU A 56 7.302 1.122 -1.971 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.556 -0.102 -2.815 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.401 0.757 -0.802 1.00 8.64 C ATOM 0 H LEU A 56 7.828 3.490 -3.057 1.00 6.91 H new ATOM 0 HA LEU A 56 7.652 3.347 -0.372 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.233 1.803 -2.474 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.057 1.275 -0.812 1.00 6.60 H new ATOM 0 HG LEU A 56 6.757 1.867 -2.551 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.607 -0.584 -3.051 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.055 0.190 -3.739 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.190 -0.798 -2.265 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.512 0.247 -1.173 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.939 0.098 -0.120 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.106 1.663 -0.273 1.00 8.64 H new ATOM 904 N SER A 57 10.711 4.225 -1.391 1.00 8.92 N ATOM 905 CA SER A 57 11.980 4.751 -0.861 1.00 9.00 C ATOM 906 C SER A 57 11.787 6.089 -0.081 1.00 9.44 C ATOM 907 O SER A 57 12.458 6.415 0.912 1.00 10.91 O ATOM 908 CB SER A 57 13.075 4.885 -1.938 1.00 10.32 C ATOM 909 OG SER A 57 12.963 5.960 -2.915 1.00 13.59 O ATOM 0 H SER A 57 10.673 4.141 -2.407 1.00 8.92 H new ATOM 0 HA SER A 57 12.331 4.003 -0.149 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.030 5.001 -1.426 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.118 3.943 -2.485 1.00 10.32 H new ATOM 0 HG SER A 57 12.032 6.038 -3.211 1.00 13.59 H new ATOM 915 N ASP A 58 10.762 6.871 -0.473 1.00 9.11 N ATOM 916 CA ASP A 58 10.503 8.216 0.043 1.00 7.91 C ATOM 917 C ASP A 58 9.874 8.131 1.407 1.00 9.12 C ATOM 918 O ASP A 58 9.735 9.118 2.066 1.00 8.61 O ATOM 919 CB ASP A 58 9.620 9.065 -0.915 1.00 8.41 C ATOM 920 CG ASP A 58 10.315 9.194 -2.209 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.477 9.674 -2.291 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.702 8.804 -3.239 1.00 11.70 O ATOM 0 H ASP A 58 10.081 6.573 -1.172 1.00 9.11 H new ATOM 0 HA ASP A 58 11.464 8.726 0.117 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.649 8.590 -1.054 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.435 10.050 -0.485 1.00 8.41 H new ATOM 927 N TYR A 59 9.458 6.911 1.889 1.00 7.97 N ATOM 928 CA TYR A 59 8.897 6.711 3.145 1.00 8.45 C ATOM 929 C TYR A 59 9.824 5.647 3.783 1.00 10.98 C ATOM 930 O TYR A 59 9.606 5.049 4.891 1.00 12.95 O ATOM 931 CB TYR A 59 7.472 6.109 2.974 1.00 7.94 C ATOM 932 CG TYR A 59 6.512 7.209 2.577 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.094 8.138 3.571 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.922 7.382 1.263 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.209 9.140 3.336 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.016 8.312 1.029 1.00 6.52 C ATOM 937 CZ TYR A 59 4.677 9.268 2.025 1.00 6.76 C ATOM 938 OH TYR A 59 3.761 10.251 1.555 1.00 7.63 O ATOM 0 H TYR A 59 9.535 6.052 1.345 1.00 7.97 H new ATOM 0 HA TYR A 59 8.812 7.623 3.735 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.483 5.328 2.214 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.146 5.644 3.905 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.503 8.040 4.566 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.232 6.734 0.457 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.918 9.820 4.123 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.525 8.348 0.068 1.00 6.52 H new ATOM 0 HH TYR A 59 3.724 10.222 0.576 1.00 7.63 H new ATOM 948 N ASN A 60 11.016 5.403 3.192 1.00 12.38 N ATOM 949 CA ASN A 60 12.081 4.674 3.813 1.00 13.94 C ATOM 950 C ASN A 60 11.795 3.194 3.980 1.00 14.16 C ATOM 951 O ASN A 60 12.290 2.515 4.933 1.00 14.26 O ATOM 952 CB ASN A 60 12.638 5.281 5.139 1.00 19.23 C ATOM 953 CG ASN A 60 12.785 6.801 5.050 1.00 22.65 C ATOM 954 OD1 ASN A 60 11.941 7.512 5.658 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.774 7.340 4.339 1.00 24.09 N ATOM 0 H ASN A 60 11.242 5.725 2.251 1.00 12.38 H new ATOM 0 HA ASN A 60 12.882 4.783 3.081 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.971 5.028 5.963 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.607 4.835 5.364 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.863 8.354 4.276 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.442 6.739 3.857 1.00 24.09 H new ATOM 962 N ILE A 61 11.003 2.600 3.025 1.00 11.08 N ATOM 963 CA ILE A 61 10.508 1.234 3.171 1.00 11.78 C ATOM 964 C ILE A 61 11.515 0.207 2.729 1.00 13.74 C ATOM 965 O ILE A 61 12.306 0.335 1.818 1.00 14.60 O ATOM 966 CB ILE A 61 9.159 1.024 2.436 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.992 1.669 3.294 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.763 -0.460 2.221 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.677 1.861 2.567 1.00 11.42 C ATOM 0 H ILE A 61 10.711 3.062 2.164 1.00 11.08 H new ATOM 0 HA ILE A 61 10.338 1.090 4.238 1.00 11.78 H new ATOM 0 HB ILE A 61 9.294 1.486 1.458 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.816 1.040 4.167 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.328 2.638 3.662 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.807 -0.510 1.700 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.528 -0.958 1.625 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.676 -0.957 3.187 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.949 2.308 3.244 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.827 2.518 1.710 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.307 0.895 2.223 1.00 11.42 H new ATOM 981 N GLN A 62 11.622 -0.922 3.461 1.00 13.97 N ATOM 982 CA GLN A 62 12.627 -1.993 3.278 1.00 15.52 C ATOM 983 C GLN A 62 12.002 -3.293 3.062 1.00 13.94 C ATOM 984 O GLN A 62 10.776 -3.564 3.016 1.00 12.15 O ATOM 985 CB GLN A 62 13.559 -2.017 4.540 1.00 19.53 C ATOM 986 CG GLN A 62 14.297 -0.737 4.861 1.00 26.38 C ATOM 987 CD GLN A 62 15.388 -0.910 5.953 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.688 -2.050 6.320 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.984 0.167 6.475 1.00 32.71 N ATOM 0 H GLN A 62 10.982 -1.122 4.230 1.00 13.97 H new ATOM 0 HA GLN A 62 13.215 -1.783 2.385 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.954 -2.288 5.405 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.295 -2.810 4.405 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.761 -0.356 3.951 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.579 0.014 5.191 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.721 1.100 6.157 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.702 0.056 7.191 1.00 32.71 H new ATOM 998 N LYS A 63 12.807 -4.280 2.700 1.00 11.73 N ATOM 999 CA LYS A 63 12.428 -5.671 2.559 1.00 11.97 C ATOM 1000 C LYS A 63 11.686 -6.250 3.770 1.00 10.41 C ATOM 1001 O LYS A 63 11.990 -5.986 4.943 1.00 9.59 O ATOM 1002 CB LYS A 63 13.556 -6.576 2.027 1.00 13.73 C ATOM 1003 CG LYS A 63 14.722 -6.810 2.959 1.00 16.98 C ATOM 1004 CD LYS A 63 15.470 -8.179 2.727 1.00 20.19 C ATOM 1005 CE LYS A 63 16.672 -8.527 3.495 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.287 -8.510 4.905 1.00 25.97 N ATOM 0 H LYS A 63 13.792 -4.121 2.487 1.00 11.73 H new ATOM 0 HA LYS A 63 11.681 -5.664 1.765 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.125 -7.543 1.768 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.938 -6.140 1.104 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.436 -5.994 2.842 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.363 -6.775 3.988 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.742 -8.972 2.897 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.743 -8.218 1.673 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.044 -9.510 3.207 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.474 -7.814 3.304 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.033 -8.959 5.474 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.158 -7.527 5.218 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.396 -9.032 5.028 1.00 25.97 H new ATOM 1020 N GLU A 64 10.627 -7.047 3.458 1.00 10.04 N ATOM 1021 CA GLU A 64 9.838 -7.755 4.420 1.00 10.94 C ATOM 1022 C GLU A 64 8.859 -6.881 5.139 1.00 9.74 C ATOM 1023 O GLU A 64 8.221 -7.241 6.114 1.00 9.42 O ATOM 1024 CB GLU A 64 10.639 -8.638 5.432 1.00 18.31 C ATOM 1025 CG GLU A 64 11.643 -9.509 4.812 1.00 24.16 C ATOM 1026 CD GLU A 64 12.585 -10.092 5.854 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.198 -10.883 6.739 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.824 -9.856 5.746 1.00 32.61 O ATOM 0 H GLU A 64 10.317 -7.197 2.498 1.00 10.04 H new ATOM 0 HA GLU A 64 9.280 -8.456 3.799 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.135 -7.986 6.151 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.937 -9.255 5.993 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.146 -10.317 4.275 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.215 -8.943 4.077 1.00 24.16 H new ATOM 1035 N SER A 65 8.706 -5.675 4.651 1.00 6.85 N ATOM 1036 CA SER A 65 7.914 -4.633 5.309 1.00 6.90 C ATOM 1037 C SER A 65 6.416 -4.908 5.282 1.00 4.72 C ATOM 1038 O SER A 65 5.931 -5.328 4.231 1.00 3.91 O ATOM 1039 CB SER A 65 8.017 -3.189 4.864 1.00 7.28 C ATOM 1040 OG SER A 65 9.354 -2.688 5.039 1.00 10.56 O ATOM 0 H SER A 65 9.129 -5.373 3.774 1.00 6.85 H new ATOM 0 HA SER A 65 8.394 -4.712 6.284 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.729 -3.107 3.816 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.319 -2.578 5.436 1.00 7.28 H new ATOM 0 HG SER A 65 9.817 -2.683 4.175 1.00 10.56 H new ATOM 1046 N THR A 66 5.655 -4.682 6.414 1.00 4.48 N ATOM 1047 CA THR A 66 4.221 -4.890 6.427 1.00 3.80 C ATOM 1048 C THR A 66 3.657 -3.474 6.252 1.00 4.60 C ATOM 1049 O THR A 66 4.005 -2.539 6.945 1.00 5.33 O ATOM 1050 CB THR A 66 3.712 -5.409 7.712 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.086 -6.820 7.790 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.167 -5.481 7.735 1.00 3.40 C ATOM 0 H THR A 66 6.040 -4.360 7.302 1.00 4.48 H new ATOM 0 HA THR A 66 3.939 -5.618 5.666 1.00 3.80 H new ATOM 0 HB THR A 66 4.102 -4.762 8.498 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.764 -7.198 8.635 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.835 -5.868 8.698 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.754 -4.484 7.583 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.822 -6.142 6.940 1.00 3.40 H new ATOM 1060 N LEU A 67 2.805 -3.293 5.186 1.00 4.17 N ATOM 1061 CA LEU A 67 2.179 -1.988 4.892 1.00 3.85 C ATOM 1062 C LEU A 67 0.728 -2.158 5.182 1.00 3.80 C ATOM 1063 O LEU A 67 0.074 -2.976 4.609 1.00 5.54 O ATOM 1064 CB LEU A 67 2.282 -1.621 3.367 1.00 7.18 C ATOM 1065 CG LEU A 67 3.515 -0.810 2.958 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.829 -1.503 3.278 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.457 -0.619 1.434 1.00 11.66 C ATOM 0 H LEU A 67 2.550 -4.035 4.534 1.00 4.17 H new ATOM 0 HA LEU A 67 2.671 -1.212 5.478 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.270 -2.545 2.789 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.391 -1.058 3.087 1.00 7.18 H new ATOM 0 HG LEU A 67 3.491 0.126 3.516 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.660 -0.872 2.961 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.896 -1.679 4.352 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.876 -2.456 2.751 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.323 -0.044 1.106 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.462 -1.593 0.945 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.545 -0.085 1.169 1.00 11.66 H new ATOM 1079 N HIS A 68 0.124 -1.458 6.148 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.186 -1.753 6.658 1.00 4.17 C ATOM 1081 C HIS A 68 -2.202 -1.065 5.704 1.00 5.32 C ATOM 1082 O HIS A 68 -1.962 -0.040 5.115 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.353 -1.223 8.099 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.225 -1.637 9.007 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.041 -1.009 9.080 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.121 -2.793 9.675 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.840 -1.904 9.757 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.181 -2.983 10.123 1.00 16.30 N ATOM 0 H HIS A 68 0.559 -0.652 6.598 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.349 -2.830 6.697 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.415 -0.135 8.076 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.295 -1.587 8.508 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.304 -0.095 8.712 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.936 -3.482 9.842 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.887 -1.739 9.964 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.352 -1.715 5.537 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.328 -1.298 4.552 1.00 3.97 C ATOM 1098 C LEU A 69 -5.542 -0.789 5.307 1.00 5.07 C ATOM 1099 O LEU A 69 -6.009 -1.483 6.244 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.619 -2.506 3.649 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.622 -2.300 2.477 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.198 -1.165 1.503 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.800 -3.614 1.644 1.00 9.96 C ATOM 0 H LEU A 69 -3.625 -2.536 6.078 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.983 -0.490 3.907 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.673 -2.846 3.227 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.996 -3.313 4.277 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.562 -2.018 2.951 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.938 -1.072 0.709 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.131 -0.224 2.048 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.227 -1.403 1.068 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.507 -3.438 0.833 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.838 -3.915 1.229 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.179 -4.406 2.290 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.029 0.434 4.968 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.254 0.984 5.506 1.00 6.26 C ATOM 1117 C VAL A 70 -8.105 1.380 4.334 1.00 9.22 C ATOM 1118 O VAL A 70 -7.757 2.107 3.426 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.048 2.236 6.438 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.435 2.591 7.086 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.006 1.915 7.501 1.00 8.54 C ATOM 0 H VAL A 70 -5.561 1.053 4.306 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.715 0.222 6.135 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.687 3.092 5.869 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.321 3.457 7.738 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.155 2.820 6.301 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.792 1.742 7.669 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.864 2.783 8.145 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.345 1.070 8.100 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.061 1.662 7.020 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.347 0.901 4.284 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.210 1.166 3.170 1.00 16.06 C ATOM 1133 C LEU A 71 -11.187 2.281 3.531 1.00 18.09 C ATOM 1134 O LEU A 71 -11.954 2.167 4.456 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.072 -0.069 2.708 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.272 -1.325 2.218 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -8.971 -0.932 1.624 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.221 -2.312 3.338 1.00 19.57 C ATOM 0 H LEU A 71 -9.766 0.325 5.015 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.544 1.437 2.351 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.710 -0.371 3.538 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.730 0.255 1.901 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.772 -1.831 1.392 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.438 -1.823 1.293 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.144 -0.275 0.772 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.374 -0.408 2.370 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.668 -3.196 3.019 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.723 -1.862 4.197 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.235 -2.599 3.616 1.00 19.57 H new