USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 62 GLN : amide:sc= 0.145 K(o=1.1,f=-0.98) USER MOD Set 1.2: A 65 SER OG : rot 87:sc= 0.944 USER MOD Set 2.1: A 55 THR OG1 : rot 136:sc= 1.47 USER MOD Set 2.2: A 57 SER OG : rot -89:sc= 1.08 USER MOD Set 3.1: A 7 THR OG1 : rot 106:sc= 0.167 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0225 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 161:sc= 1.17 (180deg=-0.548) USER MOD Set 4.2: A 12 THR OG1 : rot 148:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0244) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.497 (180deg=0.439) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.16 (180deg=0.0345!) USER MOD Single : A 14 THR OG1 : rot -63:sc= 1.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0707 USER MOD Single : A 25 ASN : amide:sc= 1.23 K(o=1.2,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.37 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.042 (180deg=-0.277) USER MOD Single : A 40 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 41 GLN : amide:sc= 1.61 K(o=1.6,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.529 USER MOD Single : A 60 ASN : amide:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.980 -7.338 -4.829 1.00 9.67 N ATOM 2 CA MET A 1 11.489 -7.584 -3.403 1.00 10.38 C ATOM 3 C MET A 1 10.050 -7.926 -3.214 1.00 9.62 C ATOM 4 O MET A 1 9.200 -7.638 -4.033 1.00 9.62 O ATOM 5 CB MET A 1 11.935 -6.465 -2.417 1.00 13.77 C ATOM 6 CG MET A 1 11.176 -5.151 -2.449 1.00 16.29 C ATOM 7 SD MET A 1 11.859 -3.958 -1.284 1.00 17.17 S ATOM 8 CE MET A 1 10.788 -2.537 -1.711 1.00 16.11 C ATOM 0 H1 MET A 1 12.944 -6.948 -4.802 1.00 9.67 H new ATOM 0 H2 MET A 1 11.984 -8.235 -5.354 1.00 9.67 H new ATOM 0 H3 MET A 1 11.347 -6.663 -5.303 1.00 9.67 H new ATOM 0 HA MET A 1 12.000 -8.514 -3.155 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.870 -6.865 -1.405 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.986 -6.249 -2.608 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.209 -4.736 -3.456 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.127 -5.331 -2.213 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.123 -1.653 -1.169 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.844 -2.348 -2.783 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.758 -2.762 -1.436 1.00 16.11 H new ATOM 20 N GLN A 2 9.717 -8.569 -2.069 1.00 9.27 N ATOM 21 CA GLN A 2 8.341 -8.764 -1.731 1.00 9.07 C ATOM 22 C GLN A 2 8.020 -7.988 -0.468 1.00 8.72 C ATOM 23 O GLN A 2 8.842 -7.862 0.447 1.00 8.22 O ATOM 24 CB GLN A 2 8.052 -10.264 -1.528 1.00 14.46 C ATOM 25 CG GLN A 2 8.126 -11.187 -2.765 1.00 17.01 C ATOM 26 CD GLN A 2 7.756 -12.651 -2.528 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.676 -13.146 -2.902 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.654 -13.428 -1.927 1.00 19.49 N ATOM 0 H GLN A 2 10.386 -8.943 -1.396 1.00 9.27 H new ATOM 0 HA GLN A 2 7.712 -8.401 -2.544 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.754 -10.643 -0.785 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.054 -10.358 -1.100 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.466 -10.785 -3.534 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.140 -11.148 -3.163 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.542 -13.035 -1.616 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.454 -14.417 -1.777 1.00 19.49 H new ATOM 37 N ILE A 3 6.813 -7.438 -0.403 1.00 5.87 N ATOM 38 CA ILE A 3 6.296 -6.732 0.741 1.00 5.07 C ATOM 39 C ILE A 3 4.910 -7.145 1.077 1.00 4.01 C ATOM 40 O ILE A 3 4.220 -7.567 0.145 1.00 4.61 O ATOM 41 CB ILE A 3 6.410 -5.211 0.621 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.536 -4.719 -0.607 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.868 -4.820 0.509 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.435 -3.226 -0.809 1.00 10.83 C ATOM 0 H ILE A 3 6.152 -7.478 -1.178 1.00 5.87 H new ATOM 0 HA ILE A 3 6.939 -7.022 1.572 1.00 5.07 H new ATOM 0 HB ILE A 3 6.020 -4.719 1.512 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.947 -5.159 -1.516 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.528 -5.116 -0.488 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.949 -3.736 0.424 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.404 -5.155 1.397 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.303 -5.287 -0.375 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.812 -3.018 -1.679 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.990 -2.769 0.074 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.431 -2.812 -0.969 1.00 10.83 H new ATOM 56 N PHE A 4 4.502 -7.125 2.367 1.00 4.55 N ATOM 57 CA PHE A 4 3.243 -7.665 2.845 1.00 4.68 C ATOM 58 C PHE A 4 2.293 -6.643 3.293 1.00 5.30 C ATOM 59 O PHE A 4 2.635 -5.734 4.040 1.00 5.58 O ATOM 60 CB PHE A 4 3.376 -8.640 4.075 1.00 4.83 C ATOM 61 CG PHE A 4 4.391 -9.634 3.789 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.052 -10.838 3.165 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.777 -9.414 4.110 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.037 -11.787 2.760 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.751 -10.349 3.834 1.00 10.61 C ATOM 66 CZ PHE A 4 6.368 -11.552 3.129 1.00 8.90 C ATOM 0 H PHE A 4 5.068 -6.718 3.112 1.00 4.55 H new ATOM 0 HA PHE A 4 2.888 -8.192 1.960 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.642 -8.079 4.971 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.421 -9.126 4.274 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.010 -11.057 2.984 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.063 -8.486 4.583 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.765 -12.661 2.186 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.775 -10.187 4.137 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.123 -12.284 2.882 1.00 8.90 H new ATOM 76 N VAL A 5 0.990 -6.727 2.969 1.00 4.44 N ATOM 77 CA VAL A 5 0.057 -5.761 3.391 1.00 3.87 C ATOM 78 C VAL A 5 -0.991 -6.359 4.303 1.00 4.93 C ATOM 79 O VAL A 5 -1.577 -7.397 4.034 1.00 6.84 O ATOM 80 CB VAL A 5 -0.611 -5.172 2.144 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.702 -4.188 2.633 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.513 -4.592 1.189 1.00 9.13 C ATOM 0 H VAL A 5 0.591 -7.479 2.407 1.00 4.44 H new ATOM 0 HA VAL A 5 0.574 -4.987 3.958 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.131 -5.900 1.522 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.204 -3.745 1.773 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.430 -4.725 3.241 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.241 -3.401 3.230 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.050 -4.170 0.297 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.069 -3.814 1.712 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.194 -5.393 0.900 1.00 9.13 H new ATOM 92 N LYS A 6 -1.266 -5.776 5.459 1.00 6.04 N ATOM 93 CA LYS A 6 -2.100 -6.335 6.514 1.00 6.12 C ATOM 94 C LYS A 6 -3.345 -5.577 6.624 1.00 6.57 C ATOM 95 O LYS A 6 -3.279 -4.295 6.693 1.00 5.76 O ATOM 96 CB LYS A 6 -1.322 -6.299 7.846 1.00 7.45 C ATOM 97 CG LYS A 6 -0.656 -7.655 8.013 1.00 11.12 C ATOM 98 CD LYS A 6 -0.069 -7.754 9.444 1.00 14.54 C ATOM 99 CE LYS A 6 -0.027 -9.251 9.894 1.00 18.84 C ATOM 100 NZ LYS A 6 0.653 -10.072 8.899 1.00 20.55 N ATOM 0 H LYS A 6 -0.897 -4.856 5.700 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.351 -7.368 6.275 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.577 -5.503 7.835 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.995 -6.095 8.679 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.379 -8.453 7.846 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.134 -7.781 7.272 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.935 -7.329 9.466 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.676 -7.173 10.138 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.486 -9.333 10.852 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.042 -9.619 10.044 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.956 -10.966 9.335 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.003 -10.273 8.112 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.486 -9.563 8.539 1.00 20.55 H new ATOM 114 N THR A 7 -4.542 -6.289 6.642 1.00 7.41 N ATOM 115 CA THR A 7 -5.911 -5.734 6.522 1.00 7.48 C ATOM 116 C THR A 7 -6.557 -5.572 7.815 1.00 8.75 C ATOM 117 O THR A 7 -6.127 -6.002 8.893 1.00 8.58 O ATOM 118 CB THR A 7 -6.813 -6.362 5.521 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.476 -7.573 5.874 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.953 -6.594 4.310 1.00 9.17 C ATOM 0 H THR A 7 -4.551 -7.304 6.746 1.00 7.41 H new ATOM 0 HA THR A 7 -5.728 -4.748 6.095 1.00 7.48 H new ATOM 0 HB THR A 7 -7.651 -5.679 5.385 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.421 -7.388 6.054 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.549 -7.057 3.524 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.561 -5.641 3.955 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.125 -7.252 4.573 1.00 9.17 H new ATOM 128 N LEU A 8 -7.667 -4.794 7.882 1.00 9.84 N ATOM 129 CA LEU A 8 -8.453 -4.415 9.109 1.00 14.15 C ATOM 130 C LEU A 8 -9.187 -5.696 9.637 1.00 17.37 C ATOM 131 O LEU A 8 -9.321 -5.912 10.862 1.00 17.01 O ATOM 132 CB LEU A 8 -9.501 -3.324 8.843 1.00 16.63 C ATOM 133 CG LEU A 8 -10.322 -2.817 10.143 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.393 -2.601 11.364 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.029 -1.537 9.714 1.00 18.59 C ATOM 0 H LEU A 8 -8.070 -4.385 7.039 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.749 -4.014 9.838 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.001 -2.466 8.393 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.213 -3.700 8.108 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.043 -3.564 10.475 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.983 -2.261 12.215 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.900 -3.540 11.616 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.641 -1.850 11.121 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.604 -1.141 10.551 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.289 -0.800 9.401 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.700 -1.753 8.882 1.00 18.59 H new ATOM 147 N THR A 9 -9.524 -6.536 8.694 1.00 18.33 N ATOM 148 CA THR A 9 -10.210 -7.769 8.919 1.00 19.24 C ATOM 149 C THR A 9 -9.228 -8.907 9.133 1.00 19.48 C ATOM 150 O THR A 9 -9.627 -10.088 9.114 1.00 23.14 O ATOM 151 CB THR A 9 -11.233 -8.105 7.842 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.662 -7.825 6.575 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.339 -7.105 8.023 1.00 19.70 C ATOM 0 H THR A 9 -9.317 -6.367 7.710 1.00 18.33 H new ATOM 0 HA THR A 9 -10.786 -7.633 9.835 1.00 19.24 H new ATOM 0 HB THR A 9 -11.557 -9.144 7.905 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.309 -8.038 5.870 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.116 -7.284 7.280 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.762 -7.207 9.022 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.943 -6.097 7.898 1.00 19.70 H new ATOM 161 N GLY A 10 -7.998 -8.554 9.286 1.00 19.43 N ATOM 162 CA GLY A 10 -6.977 -9.470 9.631 1.00 18.74 C ATOM 163 C GLY A 10 -6.394 -10.311 8.567 1.00 17.62 C ATOM 164 O GLY A 10 -5.677 -11.220 8.917 1.00 19.74 O ATOM 0 H GLY A 10 -7.671 -7.595 9.171 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.165 -8.904 10.088 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.374 -10.135 10.398 1.00 18.74 H new ATOM 168 N LYS A 11 -6.637 -10.111 7.282 1.00 13.56 N ATOM 169 CA LYS A 11 -5.965 -10.788 6.234 1.00 11.91 C ATOM 170 C LYS A 11 -4.567 -10.181 5.991 1.00 10.18 C ATOM 171 O LYS A 11 -4.246 -9.062 6.388 1.00 9.10 O ATOM 172 CB LYS A 11 -6.883 -10.733 4.953 1.00 13.43 C ATOM 173 CG LYS A 11 -6.407 -11.594 3.737 1.00 16.69 C ATOM 174 CD LYS A 11 -7.342 -11.194 2.547 1.00 17.92 C ATOM 175 CE LYS A 11 -7.177 -12.117 1.319 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.019 -11.793 0.184 1.00 21.93 N ATOM 0 H LYS A 11 -7.335 -9.446 6.950 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.792 -11.831 6.499 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.885 -11.057 5.233 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.962 -9.695 4.630 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.362 -11.393 3.499 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.485 -12.659 3.956 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.379 -11.223 2.881 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.130 -10.166 2.254 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.136 -12.086 0.999 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.386 -13.142 1.625 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.524 -12.039 -0.697 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.906 -12.332 0.245 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.232 -10.775 0.189 1.00 21.93 H new ATOM 190 N THR A 12 -3.606 -10.930 5.432 1.00 9.63 N ATOM 191 CA THR A 12 -2.256 -10.455 5.029 1.00 9.85 C ATOM 192 C THR A 12 -2.097 -10.883 3.581 1.00 11.66 C ATOM 193 O THR A 12 -2.362 -12.027 3.189 1.00 12.33 O ATOM 194 CB THR A 12 -1.087 -11.130 5.790 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.269 -11.040 7.212 1.00 10.91 O ATOM 196 CG2 THR A 12 0.087 -10.268 5.497 1.00 9.63 C ATOM 0 H THR A 12 -3.743 -11.922 5.237 1.00 9.63 H new ATOM 0 HA THR A 12 -2.206 -9.384 5.227 1.00 9.85 H new ATOM 0 HB THR A 12 -0.999 -12.176 5.497 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.882 -11.831 7.642 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.968 -10.670 5.997 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.261 -10.243 4.421 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.105 -9.257 5.857 1.00 9.63 H new ATOM 204 N ILE A 13 -1.713 -9.926 2.692 1.00 10.42 N ATOM 205 CA ILE A 13 -1.558 -10.236 1.242 1.00 11.84 C ATOM 206 C ILE A 13 -0.151 -9.889 0.803 1.00 10.55 C ATOM 207 O ILE A 13 0.424 -8.934 1.282 1.00 11.92 O ATOM 208 CB ILE A 13 -2.646 -9.662 0.295 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.713 -8.118 0.483 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.958 -10.418 0.575 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.546 -7.464 -0.651 1.00 16.46 C ATOM 0 H ILE A 13 -1.510 -8.959 2.944 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.723 -11.309 1.145 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.421 -9.814 -0.761 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.158 -7.883 1.450 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.705 -7.703 0.487 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.744 -10.036 -0.077 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.813 -11.481 0.384 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.247 -10.272 1.616 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.581 -6.385 -0.501 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.084 -7.682 -1.614 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.559 -7.865 -0.636 1.00 16.46 H new ATOM 223 N THR A 14 0.547 -10.654 -0.048 1.00 9.39 N ATOM 224 CA THR A 14 1.954 -10.528 -0.453 1.00 9.63 C ATOM 225 C THR A 14 1.991 -9.772 -1.742 1.00 11.20 C ATOM 226 O THR A 14 1.364 -10.229 -2.699 1.00 11.63 O ATOM 227 CB THR A 14 2.640 -11.902 -0.544 1.00 10.38 C ATOM 228 OG1 THR A 14 2.697 -12.516 0.747 1.00 16.30 O ATOM 229 CG2 THR A 14 4.076 -11.800 -1.105 1.00 11.66 C ATOM 0 H THR A 14 0.102 -11.446 -0.511 1.00 9.39 H new ATOM 0 HA THR A 14 2.520 -9.978 0.298 1.00 9.63 H new ATOM 0 HB THR A 14 2.043 -12.507 -1.227 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.252 -11.972 1.344 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.520 -12.794 -1.151 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.046 -11.369 -2.106 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.676 -11.164 -0.454 1.00 11.66 H new ATOM 237 N LEU A 15 2.843 -8.731 -1.921 1.00 8.29 N ATOM 238 CA LEU A 15 3.013 -7.978 -3.161 1.00 9.03 C ATOM 239 C LEU A 15 4.463 -8.034 -3.603 1.00 8.59 C ATOM 240 O LEU A 15 5.354 -7.802 -2.771 1.00 7.79 O ATOM 241 CB LEU A 15 2.641 -6.478 -2.955 1.00 11.08 C ATOM 242 CG LEU A 15 1.221 -6.153 -2.270 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.103 -4.644 -2.023 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.067 -6.621 -3.112 1.00 15.27 C ATOM 0 H LEU A 15 3.446 -8.392 -1.171 1.00 8.29 H new ATOM 0 HA LEU A 15 2.359 -8.424 -3.911 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.421 -6.018 -2.348 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.665 -5.988 -3.929 1.00 11.08 H new ATOM 0 HG LEU A 15 1.178 -6.693 -1.324 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.141 -4.425 -1.559 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.907 -4.320 -1.362 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.177 -4.113 -2.972 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.870 -6.381 -2.610 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.098 -6.123 -4.081 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.135 -7.699 -3.256 1.00 15.27 H new ATOM 256 N GLU A 16 4.740 -8.254 -4.867 1.00 11.04 N ATOM 257 CA GLU A 16 6.118 -8.228 -5.371 1.00 11.50 C ATOM 258 C GLU A 16 6.227 -6.966 -6.206 1.00 10.13 C ATOM 259 O GLU A 16 5.295 -6.599 -6.964 1.00 9.83 O ATOM 260 CB GLU A 16 6.419 -9.463 -6.301 1.00 17.22 C ATOM 261 CG GLU A 16 7.824 -9.414 -6.935 1.00 23.33 C ATOM 262 CD GLU A 16 8.191 -10.685 -7.596 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.575 -11.018 -8.671 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.176 -11.384 -7.101 1.00 28.90 O ATOM 0 H GLU A 16 4.036 -8.455 -5.577 1.00 11.04 H new ATOM 0 HA GLU A 16 6.823 -8.259 -4.540 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.321 -10.380 -5.720 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.671 -9.505 -7.093 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.862 -8.605 -7.664 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.559 -9.183 -6.164 1.00 23.33 H new ATOM 271 N VAL A 17 7.373 -6.218 -5.982 1.00 8.99 N ATOM 272 CA VAL A 17 7.610 -4.875 -6.396 1.00 8.85 C ATOM 273 C VAL A 17 9.129 -4.602 -6.397 1.00 8.04 C ATOM 274 O VAL A 17 9.888 -5.376 -5.827 1.00 8.99 O ATOM 275 CB VAL A 17 6.957 -3.839 -5.397 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.443 -3.744 -5.678 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.338 -4.209 -4.002 1.00 10.54 C ATOM 0 H VAL A 17 8.168 -6.607 -5.475 1.00 8.99 H new ATOM 0 HA VAL A 17 7.174 -4.757 -7.388 1.00 8.85 H new ATOM 0 HB VAL A 17 7.333 -2.826 -5.542 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.989 -3.030 -4.990 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.283 -3.412 -6.704 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.985 -4.723 -5.539 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.893 -3.501 -3.303 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.977 -5.213 -3.780 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.423 -4.184 -3.902 1.00 10.54 H new ATOM 287 N GLU A 18 9.604 -3.597 -7.111 1.00 7.29 N ATOM 288 CA GLU A 18 10.922 -3.134 -6.878 1.00 7.08 C ATOM 289 C GLU A 18 10.910 -1.847 -6.042 1.00 6.45 C ATOM 290 O GLU A 18 9.864 -1.180 -6.086 1.00 5.28 O ATOM 291 CB GLU A 18 11.618 -2.860 -8.186 1.00 10.28 C ATOM 292 CG GLU A 18 11.924 -4.155 -8.958 1.00 12.65 C ATOM 293 CD GLU A 18 12.776 -5.128 -8.191 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.771 -4.758 -7.552 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.498 -6.337 -8.379 1.00 14.33 O ATOM 0 H GLU A 18 9.091 -3.105 -7.842 1.00 7.29 H new ATOM 0 HA GLU A 18 11.456 -3.911 -6.331 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.994 -2.211 -8.800 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.547 -2.323 -7.997 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.985 -4.639 -9.224 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.428 -3.901 -9.891 1.00 12.65 H new ATOM 302 N PRO A 19 11.956 -1.439 -5.383 1.00 7.24 N ATOM 303 CA PRO A 19 11.946 -0.176 -4.545 1.00 7.07 C ATOM 304 C PRO A 19 11.709 1.064 -5.268 1.00 6.65 C ATOM 305 O PRO A 19 11.662 2.108 -4.692 1.00 6.37 O ATOM 306 CB PRO A 19 13.408 -0.184 -3.947 1.00 7.61 C ATOM 307 CG PRO A 19 13.785 -1.653 -3.793 1.00 8.16 C ATOM 308 CD PRO A 19 13.162 -2.302 -5.054 1.00 7.49 C ATOM 0 HA PRO A 19 11.125 -0.191 -3.828 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.104 0.331 -4.609 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.441 0.331 -2.987 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.866 -1.792 -3.759 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.380 -2.081 -2.876 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.872 -2.320 -5.881 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.869 -3.334 -4.863 1.00 7.49 H new ATOM 316 N SER A 20 11.679 1.033 -6.606 1.00 6.80 N ATOM 317 CA SER A 20 11.622 2.217 -7.429 1.00 6.28 C ATOM 318 C SER A 20 10.231 2.611 -7.894 1.00 8.45 C ATOM 319 O SER A 20 10.013 3.728 -8.297 1.00 7.26 O ATOM 320 CB SER A 20 12.484 1.860 -8.671 1.00 8.57 C ATOM 321 OG SER A 20 11.944 0.710 -9.306 1.00 11.13 O ATOM 0 H SER A 20 11.694 0.165 -7.142 1.00 6.80 H new ATOM 0 HA SER A 20 11.970 3.072 -6.850 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.503 2.698 -9.367 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.515 1.672 -8.370 1.00 8.57 H new ATOM 0 HG SER A 20 12.486 0.485 -10.091 1.00 11.13 H new ATOM 327 N ASP A 21 9.250 1.698 -7.775 1.00 7.50 N ATOM 328 CA ASP A 21 7.811 1.973 -7.891 1.00 7.70 C ATOM 329 C ASP A 21 7.252 2.955 -6.822 1.00 7.08 C ATOM 330 O ASP A 21 7.746 2.992 -5.692 1.00 8.11 O ATOM 331 CB ASP A 21 7.076 0.639 -7.837 1.00 11.00 C ATOM 332 CG ASP A 21 7.262 -0.069 -9.164 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.456 0.163 -10.082 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.124 -0.933 -9.345 1.00 18.03 O ATOM 0 H ASP A 21 9.447 0.715 -7.589 1.00 7.50 H new ATOM 0 HA ASP A 21 7.648 2.483 -8.840 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.464 0.026 -7.023 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.016 0.799 -7.639 1.00 11.00 H new ATOM 339 N THR A 22 6.144 3.644 -7.195 1.00 5.37 N ATOM 340 CA THR A 22 5.464 4.489 -6.209 1.00 6.01 C ATOM 341 C THR A 22 4.526 3.645 -5.433 1.00 8.01 C ATOM 342 O THR A 22 4.244 2.507 -5.743 1.00 8.11 O ATOM 343 CB THR A 22 4.872 5.745 -6.822 1.00 8.92 C ATOM 344 OG1 THR A 22 3.808 5.412 -7.778 1.00 10.22 O ATOM 345 CG2 THR A 22 5.886 6.623 -7.596 1.00 9.65 C ATOM 0 H THR A 22 5.727 3.629 -8.126 1.00 5.37 H new ATOM 0 HA THR A 22 6.183 4.898 -5.499 1.00 6.01 H new ATOM 0 HB THR A 22 4.504 6.306 -5.963 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.441 6.237 -8.159 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.376 7.498 -7.999 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.679 6.944 -6.921 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.318 6.046 -8.414 1.00 9.65 H new ATOM 353 N ILE A 23 3.930 4.248 -4.402 1.00 8.32 N ATOM 354 CA ILE A 23 2.795 3.744 -3.678 1.00 9.92 C ATOM 355 C ILE A 23 1.606 3.574 -4.558 1.00 10.01 C ATOM 356 O ILE A 23 0.821 2.643 -4.338 1.00 8.71 O ATOM 357 CB ILE A 23 2.487 4.557 -2.430 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.713 4.492 -1.485 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.188 3.992 -1.768 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.146 3.095 -1.010 1.00 12.30 C ATOM 0 H ILE A 23 4.254 5.146 -4.043 1.00 8.32 H new ATOM 0 HA ILE A 23 3.068 2.750 -3.324 1.00 9.92 H new ATOM 0 HB ILE A 23 2.305 5.605 -2.668 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.559 4.956 -1.993 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.497 5.099 -0.605 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.957 4.567 -0.871 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.359 4.067 -2.471 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.342 2.947 -1.499 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.013 3.186 -0.356 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.327 2.626 -0.464 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.405 2.481 -1.873 1.00 12.30 H new ATOM 372 N GLU A 24 1.371 4.500 -5.542 1.00 9.54 N ATOM 373 CA GLU A 24 0.279 4.372 -6.500 1.00 11.81 C ATOM 374 C GLU A 24 0.338 3.041 -7.246 1.00 11.14 C ATOM 375 O GLU A 24 -0.648 2.319 -7.575 1.00 10.62 O ATOM 376 CB GLU A 24 0.423 5.547 -7.442 1.00 19.24 C ATOM 377 CG GLU A 24 -0.730 5.794 -8.420 1.00 27.76 C ATOM 378 CD GLU A 24 -0.578 7.034 -9.315 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.472 7.157 -9.991 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.498 7.886 -9.364 1.00 34.80 O ATOM 0 H GLU A 24 1.939 5.337 -5.672 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.690 4.380 -6.001 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.559 6.448 -6.843 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.336 5.408 -8.021 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.838 4.917 -9.058 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.654 5.889 -7.850 1.00 27.76 H new ATOM 387 N ASN A 25 1.644 2.681 -7.530 1.00 9.43 N ATOM 388 CA ASN A 25 1.876 1.430 -8.232 1.00 10.96 C ATOM 389 C ASN A 25 1.617 0.261 -7.336 1.00 9.68 C ATOM 390 O ASN A 25 1.072 -0.748 -7.696 1.00 9.33 O ATOM 391 CB ASN A 25 3.340 1.429 -8.744 1.00 16.78 C ATOM 392 CG ASN A 25 3.635 2.407 -9.869 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.792 3.270 -10.188 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.922 2.359 -10.441 1.00 24.70 N ATOM 0 H ASN A 25 2.476 3.220 -7.289 1.00 9.43 H new ATOM 0 HA ASN A 25 1.191 1.342 -9.075 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.001 1.654 -7.907 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.588 0.424 -9.084 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.194 3.047 -11.144 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.582 1.637 -10.152 1.00 24.70 H new ATOM 401 N VAL A 26 1.826 0.399 -5.954 1.00 6.52 N ATOM 402 CA VAL A 26 1.606 -0.600 -4.896 1.00 5.53 C ATOM 403 C VAL A 26 0.099 -0.849 -4.733 1.00 4.42 C ATOM 404 O VAL A 26 -0.331 -1.986 -4.681 1.00 3.40 O ATOM 405 CB VAL A 26 2.209 -0.189 -3.535 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.039 -1.220 -2.436 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.714 -0.035 -3.693 1.00 8.12 C ATOM 0 H VAL A 26 2.173 1.277 -5.567 1.00 6.52 H new ATOM 0 HA VAL A 26 2.119 -1.510 -5.208 1.00 5.53 H new ATOM 0 HB VAL A 26 1.683 0.723 -3.254 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.491 -0.849 -1.516 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.977 -1.403 -2.270 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.526 -2.150 -2.731 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.152 0.255 -2.738 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.145 -0.982 -4.017 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.925 0.733 -4.437 1.00 8.12 H new ATOM 417 N LYS A 27 -0.701 0.167 -4.872 1.00 2.64 N ATOM 418 CA LYS A 27 -2.145 0.139 -4.759 1.00 4.14 C ATOM 419 C LYS A 27 -2.711 -0.611 -5.925 1.00 5.58 C ATOM 420 O LYS A 27 -3.707 -1.302 -5.896 1.00 4.11 O ATOM 421 CB LYS A 27 -2.800 1.570 -4.687 1.00 3.97 C ATOM 422 CG LYS A 27 -2.525 2.334 -3.383 1.00 7.45 C ATOM 423 CD LYS A 27 -3.316 3.614 -3.188 1.00 9.02 C ATOM 424 CE LYS A 27 -3.176 4.110 -1.722 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.761 5.436 -1.573 1.00 15.47 N ATOM 0 H LYS A 27 -0.348 1.101 -5.081 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.381 -0.357 -3.817 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.436 2.165 -5.525 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.878 1.469 -4.813 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.733 1.670 -2.544 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.463 2.576 -3.343 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.958 4.380 -3.875 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.366 3.441 -3.423 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.669 3.411 -1.047 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.123 4.137 -1.440 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.541 5.808 -0.627 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.368 6.072 -2.296 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.793 5.375 -1.689 1.00 15.47 H new ATOM 439 N ALA A 28 -2.124 -0.442 -7.161 1.00 6.61 N ATOM 440 CA ALA A 28 -2.561 -1.213 -8.370 1.00 7.74 C ATOM 441 C ALA A 28 -2.205 -2.736 -8.337 1.00 9.17 C ATOM 442 O ALA A 28 -3.010 -3.518 -8.778 1.00 11.45 O ATOM 443 CB ALA A 28 -2.030 -0.588 -9.664 1.00 7.68 C ATOM 0 H ALA A 28 -1.361 0.211 -7.338 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.649 -1.149 -8.349 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.368 -1.176 -10.517 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.403 0.432 -9.755 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.940 -0.575 -9.641 1.00 7.68 H new ATOM 449 N LYS A 29 -1.121 -3.154 -7.665 1.00 8.96 N ATOM 450 CA LYS A 29 -0.879 -4.529 -7.283 1.00 7.90 C ATOM 451 C LYS A 29 -1.959 -5.076 -6.350 1.00 6.92 C ATOM 452 O LYS A 29 -2.378 -6.227 -6.584 1.00 6.87 O ATOM 453 CB LYS A 29 0.463 -4.595 -6.542 1.00 10.28 C ATOM 454 CG LYS A 29 1.727 -4.282 -7.278 1.00 14.94 C ATOM 455 CD LYS A 29 2.120 -5.272 -8.322 1.00 19.69 C ATOM 456 CE LYS A 29 3.328 -4.791 -9.104 1.00 22.63 C ATOM 457 NZ LYS A 29 3.885 -5.773 -10.058 1.00 24.98 N ATOM 0 H LYS A 29 -0.378 -2.520 -7.371 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.880 -5.131 -8.192 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.402 -3.913 -5.694 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.562 -5.601 -6.135 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.621 -3.305 -7.749 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.538 -4.201 -6.555 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.344 -6.230 -7.853 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.285 -5.438 -9.003 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.052 -3.890 -9.652 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.110 -4.508 -8.399 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.705 -5.358 -10.545 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.184 -6.626 -9.543 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.159 -6.027 -10.758 1.00 24.98 H new ATOM 471 N ILE A 30 -2.359 -4.323 -5.331 1.00 4.57 N ATOM 472 CA ILE A 30 -3.450 -4.779 -4.460 1.00 5.58 C ATOM 473 C ILE A 30 -4.801 -4.867 -5.207 1.00 7.26 C ATOM 474 O ILE A 30 -5.533 -5.779 -4.931 1.00 9.46 O ATOM 475 CB ILE A 30 -3.646 -3.803 -3.299 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.441 -3.845 -2.385 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.888 -4.213 -2.402 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.548 -2.835 -1.136 1.00 2.00 C ATOM 0 H ILE A 30 -1.960 -3.416 -5.087 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.162 -5.770 -4.108 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.797 -2.816 -3.737 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.314 -4.861 -2.011 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.548 -3.604 -2.962 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.999 -3.499 -1.586 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.792 -4.212 -3.011 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.727 -5.210 -1.992 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.650 -2.918 -0.523 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.645 -1.813 -1.502 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.422 -3.090 -0.536 1.00 2.00 H new ATOM 490 N GLN A 31 -5.043 -3.959 -6.125 1.00 7.06 N ATOM 491 CA GLN A 31 -6.262 -3.850 -6.894 1.00 8.67 C ATOM 492 C GLN A 31 -6.573 -5.081 -7.739 1.00 10.90 C ATOM 493 O GLN A 31 -7.634 -5.654 -7.732 1.00 9.63 O ATOM 494 CB GLN A 31 -6.291 -2.623 -7.880 1.00 9.12 C ATOM 495 CG GLN A 31 -7.644 -2.412 -8.611 1.00 10.76 C ATOM 496 CD GLN A 31 -7.826 -1.288 -9.676 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.901 -0.695 -9.735 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.797 -0.944 -10.468 1.00 14.76 N ATOM 0 H GLN A 31 -4.361 -3.241 -6.368 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.011 -3.726 -6.112 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.051 -1.719 -7.321 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.507 -2.755 -8.626 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.891 -3.355 -9.099 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.398 -2.245 -7.841 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.913 -1.449 -10.404 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.900 -0.178 -11.134 1.00 14.76 H new ATOM 507 N ASP A 32 -5.544 -5.592 -8.446 1.00 10.93 N ATOM 508 CA ASP A 32 -5.609 -6.660 -9.341 1.00 14.01 C ATOM 509 C ASP A 32 -5.869 -7.941 -8.565 1.00 14.04 C ATOM 510 O ASP A 32 -6.731 -8.800 -8.869 1.00 13.39 O ATOM 511 CB ASP A 32 -4.265 -6.869 -10.147 1.00 18.01 C ATOM 512 CG ASP A 32 -4.248 -5.991 -11.348 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.256 -5.338 -11.688 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.156 -5.873 -11.924 1.00 25.17 O ATOM 0 H ASP A 32 -4.601 -5.211 -8.368 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.407 -6.430 -10.047 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.410 -6.643 -9.509 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.171 -7.912 -10.448 1.00 18.01 H new ATOM 519 N LYS A 33 -5.244 -8.096 -7.412 1.00 14.22 N ATOM 520 CA LYS A 33 -5.459 -9.176 -6.493 1.00 14.00 C ATOM 521 C LYS A 33 -6.810 -9.210 -5.761 1.00 12.37 C ATOM 522 O LYS A 33 -7.570 -10.215 -5.737 1.00 12.17 O ATOM 523 CB LYS A 33 -4.326 -9.170 -5.463 1.00 18.62 C ATOM 524 CG LYS A 33 -4.284 -10.390 -4.549 1.00 24.00 C ATOM 525 CD LYS A 33 -3.179 -10.323 -3.476 1.00 27.61 C ATOM 526 CE LYS A 33 -1.707 -10.588 -3.984 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.642 -11.914 -4.667 1.00 30.06 N ATOM 0 H LYS A 33 -4.540 -7.435 -7.084 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.472 -10.072 -7.113 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.375 -9.096 -5.991 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.419 -8.276 -4.847 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.250 -10.497 -4.056 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.135 -11.283 -5.156 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.210 -9.338 -3.011 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.411 -11.050 -2.698 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.401 -9.799 -4.671 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.013 -10.566 -3.144 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.648 -12.201 -4.773 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.149 -12.622 -4.099 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.084 -11.843 -5.606 1.00 30.06 H new ATOM 541 N GLU A 34 -7.191 -8.052 -5.128 1.00 10.11 N ATOM 542 CA GLU A 34 -8.334 -7.978 -4.202 1.00 10.07 C ATOM 543 C GLU A 34 -9.575 -7.277 -4.788 1.00 9.32 C ATOM 544 O GLU A 34 -10.648 -7.250 -4.210 1.00 11.61 O ATOM 545 CB GLU A 34 -7.911 -7.238 -2.918 1.00 14.77 C ATOM 546 CG GLU A 34 -6.716 -7.923 -2.123 1.00 18.75 C ATOM 547 CD GLU A 34 -7.152 -9.223 -1.524 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.092 -9.296 -0.716 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.593 -10.294 -1.966 1.00 25.19 O ATOM 0 H GLU A 34 -6.709 -7.162 -5.255 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.620 -9.010 -3.997 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.620 -6.221 -3.180 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.774 -7.163 -2.257 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.875 -8.091 -2.796 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.366 -7.254 -1.337 1.00 18.75 H new ATOM 556 N GLY A 35 -9.499 -6.633 -5.949 1.00 7.22 N ATOM 557 CA GLY A 35 -10.634 -5.906 -6.587 1.00 6.29 C ATOM 558 C GLY A 35 -10.995 -4.465 -6.069 1.00 6.93 C ATOM 559 O GLY A 35 -12.147 -4.101 -6.232 1.00 7.41 O ATOM 0 H GLY A 35 -8.639 -6.591 -6.496 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.420 -5.830 -7.653 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.524 -6.527 -6.484 1.00 6.29 H new ATOM 563 N ILE A 36 -10.023 -3.768 -5.398 1.00 5.86 N ATOM 564 CA ILE A 36 -10.296 -2.536 -4.728 1.00 6.07 C ATOM 565 C ILE A 36 -9.644 -1.390 -5.460 1.00 6.36 C ATOM 566 O ILE A 36 -8.405 -1.407 -5.491 1.00 6.18 O ATOM 567 CB ILE A 36 -9.698 -2.537 -3.299 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.016 -3.868 -2.586 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.103 -1.305 -2.512 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.227 -4.150 -1.339 1.00 9.49 C ATOM 0 H ILE A 36 -9.052 -4.074 -5.330 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.380 -2.425 -4.694 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.612 -2.474 -3.373 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.076 -3.877 -2.332 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.850 -4.683 -3.290 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.661 -1.348 -1.516 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.750 -0.412 -3.027 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.189 -1.269 -2.426 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.534 -5.110 -0.924 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.164 -4.182 -1.580 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.410 -3.363 -0.607 1.00 9.49 H new ATOM 582 N PRO A 37 -10.394 -0.381 -5.988 1.00 8.65 N ATOM 583 CA PRO A 37 -9.792 0.876 -6.567 1.00 9.18 C ATOM 584 C PRO A 37 -8.684 1.518 -5.745 1.00 9.85 C ATOM 585 O PRO A 37 -9.001 1.763 -4.598 1.00 8.51 O ATOM 586 CB PRO A 37 -11.014 1.678 -6.853 1.00 11.42 C ATOM 587 CG PRO A 37 -12.117 0.676 -7.108 1.00 9.27 C ATOM 588 CD PRO A 37 -11.845 -0.483 -6.192 1.00 8.33 C ATOM 0 HA PRO A 37 -9.191 0.720 -7.463 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.262 2.326 -6.012 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.864 2.323 -7.719 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.095 1.112 -6.905 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.121 0.357 -8.150 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.395 -0.399 -5.255 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.127 -1.434 -6.643 1.00 8.33 H new ATOM 596 N PRO A 38 -7.476 1.967 -6.192 1.00 8.71 N ATOM 597 CA PRO A 38 -6.582 2.912 -5.469 1.00 9.08 C ATOM 598 C PRO A 38 -7.186 4.125 -4.736 1.00 9.28 C ATOM 599 O PRO A 38 -6.763 4.343 -3.588 1.00 6.50 O ATOM 600 CB PRO A 38 -5.523 3.346 -6.503 1.00 10.31 C ATOM 601 CG PRO A 38 -5.466 2.126 -7.369 1.00 10.81 C ATOM 602 CD PRO A 38 -6.894 1.565 -7.457 1.00 12.00 C ATOM 0 HA PRO A 38 -6.195 2.364 -4.610 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.826 4.234 -7.058 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.562 3.571 -6.041 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.089 2.375 -8.361 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.787 1.385 -6.946 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.440 1.981 -8.304 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.896 0.482 -7.577 1.00 12.00 H new ATOM 610 N ASP A 39 -8.214 4.773 -5.281 1.00 11.20 N ATOM 611 CA ASP A 39 -8.984 5.781 -4.501 1.00 14.96 C ATOM 612 C ASP A 39 -9.811 5.290 -3.367 1.00 13.99 C ATOM 613 O ASP A 39 -10.172 6.040 -2.455 1.00 13.75 O ATOM 614 CB ASP A 39 -9.842 6.685 -5.424 1.00 24.16 C ATOM 615 CG ASP A 39 -8.922 7.466 -6.294 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.494 7.145 -7.457 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.681 8.647 -5.837 1.00 34.22 O ATOM 0 H ASP A 39 -8.540 4.634 -6.237 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.188 6.351 -4.022 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.516 6.079 -6.030 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.463 7.355 -4.829 1.00 24.16 H new ATOM 622 N GLN A 40 -10.147 3.930 -3.309 1.00 11.60 N ATOM 623 CA GLN A 40 -10.832 3.317 -2.201 1.00 10.76 C ATOM 624 C GLN A 40 -9.872 2.700 -1.188 1.00 8.01 C ATOM 625 O GLN A 40 -10.286 2.144 -0.152 1.00 8.96 O ATOM 626 CB GLN A 40 -11.859 2.282 -2.651 1.00 11.14 C ATOM 627 CG GLN A 40 -12.946 2.957 -3.580 1.00 14.85 C ATOM 628 CD GLN A 40 -13.991 1.882 -4.042 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.264 0.931 -3.302 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.532 2.058 -5.253 1.00 18.16 N ATOM 0 H GLN A 40 -9.925 3.275 -4.059 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.366 4.128 -1.706 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.361 1.475 -3.189 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.341 1.835 -1.781 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.450 3.760 -3.042 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.466 3.408 -4.449 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.266 2.864 -5.818 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.210 1.386 -5.611 1.00 18.16 H new ATOM 639 N GLN A 41 -8.585 2.933 -1.370 1.00 6.52 N ATOM 640 CA GLN A 41 -7.580 2.308 -0.559 1.00 3.87 C ATOM 641 C GLN A 41 -6.807 3.413 0.205 1.00 4.79 C ATOM 642 O GLN A 41 -6.245 4.352 -0.378 1.00 6.34 O ATOM 643 CB GLN A 41 -6.482 1.651 -1.339 1.00 4.20 C ATOM 644 CG GLN A 41 -6.934 0.399 -2.096 1.00 3.20 C ATOM 645 CD GLN A 41 -5.817 -0.340 -2.853 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.638 -0.334 -2.489 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.078 -0.827 -4.100 1.00 7.13 N ATOM 0 H GLN A 41 -8.217 3.561 -2.085 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.123 1.582 0.047 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.074 2.368 -2.051 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.674 1.382 -0.658 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.390 -0.292 -1.387 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.709 0.683 -2.808 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.037 -0.853 -4.447 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.314 -1.165 -4.686 1.00 7.13 H new ATOM 656 N ARG A 42 -6.720 3.322 1.522 1.00 5.73 N ATOM 657 CA ARG A 42 -5.744 4.055 2.283 1.00 6.97 C ATOM 658 C ARG A 42 -4.591 3.184 2.754 1.00 7.15 C ATOM 659 O ARG A 42 -4.769 2.128 3.378 1.00 7.33 O ATOM 660 CB ARG A 42 -6.396 4.807 3.519 1.00 13.23 C ATOM 661 CG ARG A 42 -5.645 6.045 3.981 1.00 21.27 C ATOM 662 CD ARG A 42 -6.384 6.799 5.077 1.00 26.14 C ATOM 663 NE ARG A 42 -5.598 8.054 5.116 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.674 8.982 6.065 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.481 8.694 7.085 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.990 10.120 6.045 1.00 36.39 N ATOM 0 H ARG A 42 -7.331 2.733 2.088 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.339 4.800 1.598 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.414 5.094 3.256 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.467 4.110 4.354 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.660 5.754 4.345 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.487 6.709 3.131 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.431 6.973 4.828 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.367 6.269 6.029 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.944 8.220 4.351 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.989 7.810 7.099 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.591 9.358 7.852 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.361 10.323 5.269 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -5.094 10.791 6.806 1.00 36.39 H new ATOM 680 N LEU A 43 -3.306 3.591 2.510 1.00 4.65 N ATOM 681 CA LEU A 43 -2.142 2.797 2.883 1.00 3.51 C ATOM 682 C LEU A 43 -1.342 3.515 3.884 1.00 5.56 C ATOM 683 O LEU A 43 -1.067 4.665 3.868 1.00 4.19 O ATOM 684 CB LEU A 43 -1.283 2.572 1.616 1.00 3.74 C ATOM 685 CG LEU A 43 -0.418 1.336 1.757 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.189 -0.046 1.921 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.515 1.306 0.584 1.00 6.41 C ATOM 0 H LEU A 43 -3.074 4.473 2.053 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.465 1.845 3.305 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.932 2.468 0.746 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.652 3.443 1.441 1.00 3.74 H new ATOM 0 HG LEU A 43 0.113 1.425 2.705 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.467 -0.857 2.013 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.812 -0.011 2.815 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.818 -0.218 1.047 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.156 0.427 0.651 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.063 1.264 -0.339 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.131 2.205 0.586 1.00 6.41 H new ATOM 699 N ILE A 44 -0.888 2.729 4.878 1.00 4.58 N ATOM 700 CA ILE A 44 -0.030 3.220 6.004 1.00 5.55 C ATOM 701 C ILE A 44 1.256 2.486 6.123 1.00 5.46 C ATOM 702 O ILE A 44 1.278 1.243 6.026 1.00 6.04 O ATOM 703 CB ILE A 44 -0.784 2.890 7.340 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.312 3.365 7.306 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.087 3.546 8.513 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.982 3.218 8.691 1.00 13.90 C ATOM 0 H ILE A 44 -1.099 1.733 4.935 1.00 4.58 H new ATOM 0 HA ILE A 44 0.162 4.277 5.820 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.768 1.806 7.453 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.364 4.405 6.984 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.861 2.776 6.571 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.621 3.308 9.433 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.936 3.176 8.582 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.073 4.627 8.370 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.019 3.550 8.631 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.953 2.173 9.000 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.448 3.827 9.420 1.00 13.90 H new ATOM 718 N PHE A 45 2.340 3.179 6.482 1.00 6.75 N ATOM 719 CA PHE A 45 3.591 2.546 6.822 1.00 4.70 C ATOM 720 C PHE A 45 4.123 3.296 8.016 1.00 6.34 C ATOM 721 O PHE A 45 4.317 4.515 7.993 1.00 5.45 O ATOM 722 CB PHE A 45 4.673 2.617 5.655 1.00 5.51 C ATOM 723 CG PHE A 45 5.983 1.963 5.984 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.082 0.558 5.890 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.143 2.695 6.217 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.275 -0.096 6.208 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.378 2.030 6.472 1.00 6.64 C ATOM 728 CZ PHE A 45 8.439 0.655 6.516 1.00 6.84 C ATOM 0 H PHE A 45 2.362 4.197 6.541 1.00 6.75 H new ATOM 0 HA PHE A 45 3.413 1.488 7.012 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.259 2.146 4.763 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.855 3.663 5.408 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.226 -0.018 5.569 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.108 3.774 6.205 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.311 -1.175 6.219 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.275 2.610 6.632 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.359 0.156 6.781 1.00 6.84 H new ATOM 738 N ALA A 46 4.527 2.520 9.047 1.00 6.53 N ATOM 739 CA ALA A 46 5.234 2.857 10.277 1.00 7.15 C ATOM 740 C ALA A 46 4.594 4.035 11.077 1.00 9.00 C ATOM 741 O ALA A 46 5.257 4.941 11.576 1.00 11.15 O ATOM 742 CB ALA A 46 6.740 3.080 10.069 1.00 8.99 C ATOM 0 H ALA A 46 4.334 1.519 9.020 1.00 6.53 H new ATOM 0 HA ALA A 46 5.121 1.968 10.897 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.206 3.327 11.023 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.191 2.171 9.669 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.893 3.900 9.367 1.00 8.99 H new ATOM 748 N GLY A 47 3.276 4.065 11.172 1.00 9.35 N ATOM 749 CA GLY A 47 2.522 5.090 11.879 1.00 11.68 C ATOM 750 C GLY A 47 2.423 6.399 11.088 1.00 11.14 C ATOM 751 O GLY A 47 2.299 7.459 11.725 1.00 13.93 O ATOM 0 H GLY A 47 2.681 3.355 10.746 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.519 4.719 12.088 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.996 5.286 12.841 1.00 11.68 H new ATOM 755 N LYS A 48 2.512 6.381 9.736 1.00 10.47 N ATOM 756 CA LYS A 48 2.252 7.427 8.790 1.00 8.82 C ATOM 757 C LYS A 48 1.312 6.961 7.701 1.00 7.68 C ATOM 758 O LYS A 48 1.566 5.886 7.173 1.00 6.47 O ATOM 759 CB LYS A 48 3.621 7.813 8.129 1.00 9.74 C ATOM 760 CG LYS A 48 3.459 9.061 7.232 1.00 14.14 C ATOM 761 CD LYS A 48 4.761 9.672 6.742 1.00 16.32 C ATOM 762 CE LYS A 48 4.550 11.018 6.099 1.00 20.04 C ATOM 763 NZ LYS A 48 5.737 11.666 5.561 1.00 23.92 N ATOM 0 H LYS A 48 2.801 5.528 9.258 1.00 10.47 H new ATOM 0 HA LYS A 48 1.791 8.271 9.304 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.363 8.009 8.903 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.993 6.978 7.536 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.853 8.792 6.367 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.905 9.819 7.786 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.450 9.775 7.580 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.230 8.998 6.025 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.827 10.902 5.292 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.101 11.683 6.836 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.474 12.582 5.145 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.426 11.818 6.325 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.161 11.062 4.828 1.00 23.92 H new ATOM 777 N GLN A 49 0.227 7.733 7.450 1.00 8.89 N ATOM 778 CA GLN A 49 -0.731 7.530 6.397 1.00 7.18 C ATOM 779 C GLN A 49 -0.186 8.143 5.117 1.00 8.23 C ATOM 780 O GLN A 49 0.252 9.294 4.994 1.00 9.70 O ATOM 781 CB GLN A 49 -2.129 8.107 6.775 1.00 11.67 C ATOM 782 CG GLN A 49 -2.883 7.445 7.989 1.00 15.82 C ATOM 783 CD GLN A 49 -2.446 7.946 9.372 1.00 20.21 C ATOM 784 OE1 GLN A 49 -1.831 8.998 9.480 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.746 7.254 10.465 1.00 20.67 N ATOM 0 H GLN A 49 0.008 8.550 8.020 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.880 6.462 6.242 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.008 9.168 6.992 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.772 8.033 5.898 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.952 7.624 7.875 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.734 6.366 7.946 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.258 6.375 10.388 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.464 7.601 11.382 1.00 20.67 H new ATOM 794 N LEU A 50 -0.164 7.347 4.065 1.00 6.51 N ATOM 795 CA LEU A 50 0.787 7.709 2.922 1.00 7.41 C ATOM 796 C LEU A 50 0.254 8.572 1.717 1.00 8.27 C ATOM 797 O LEU A 50 -0.968 8.703 1.485 1.00 8.34 O ATOM 798 CB LEU A 50 1.506 6.415 2.344 1.00 7.13 C ATOM 799 CG LEU A 50 2.183 5.385 3.409 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.717 4.180 2.631 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.426 5.995 4.122 1.00 9.11 C ATOM 0 H LEU A 50 -0.725 6.505 3.938 1.00 6.51 H new ATOM 0 HA LEU A 50 1.470 8.386 3.436 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.775 5.859 1.758 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.284 6.743 1.654 1.00 7.13 H new ATOM 0 HG LEU A 50 1.418 5.138 4.145 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.176 3.474 3.323 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.895 3.692 2.107 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.461 4.514 1.908 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.838 5.267 4.821 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.181 6.253 3.379 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.130 6.892 4.666 1.00 9.11 H new ATOM 813 N GLU A 51 1.160 9.085 0.904 1.00 9.43 N ATOM 814 CA GLU A 51 0.931 9.735 -0.367 1.00 11.90 C ATOM 815 C GLU A 51 1.270 8.728 -1.457 1.00 11.49 C ATOM 816 O GLU A 51 2.068 7.824 -1.448 1.00 9.88 O ATOM 817 CB GLU A 51 1.837 10.933 -0.388 1.00 16.56 C ATOM 818 CG GLU A 51 1.838 11.739 0.959 1.00 26.06 C ATOM 819 CD GLU A 51 2.663 12.975 0.846 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.258 13.297 -0.221 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.767 13.705 1.856 1.00 32.13 O ATOM 0 H GLU A 51 2.152 9.053 1.137 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.097 10.063 -0.523 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.853 10.606 -0.608 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.533 11.595 -1.199 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.816 12.004 1.228 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.226 11.111 1.761 1.00 26.06 H new ATOM 828 N ASP A 52 0.420 8.820 -2.502 1.00 12.71 N ATOM 829 CA ASP A 52 0.415 7.875 -3.677 1.00 16.56 C ATOM 830 C ASP A 52 1.675 8.049 -4.464 1.00 15.83 C ATOM 831 O ASP A 52 2.327 7.055 -4.854 1.00 17.21 O ATOM 832 CB ASP A 52 -0.850 8.141 -4.549 1.00 21.05 C ATOM 833 CG ASP A 52 -2.115 8.179 -3.725 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.207 7.276 -2.842 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.080 8.938 -4.016 1.00 28.37 O ATOM 0 H ASP A 52 -0.291 9.549 -2.570 1.00 12.71 H new ATOM 0 HA ASP A 52 0.376 6.842 -3.331 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.733 9.088 -5.076 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.936 7.363 -5.308 1.00 21.05 H new ATOM 840 N GLY A 53 2.068 9.305 -4.710 1.00 15.00 N ATOM 841 CA GLY A 53 3.115 9.690 -5.717 1.00 11.77 C ATOM 842 C GLY A 53 4.506 9.528 -5.211 1.00 11.10 C ATOM 843 O GLY A 53 5.498 9.863 -5.839 1.00 11.25 O ATOM 0 H GLY A 53 1.674 10.107 -4.219 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.989 9.082 -6.613 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.961 10.728 -6.012 1.00 11.77 H new ATOM 847 N ARG A 54 4.654 8.982 -3.996 1.00 8.53 N ATOM 848 CA ARG A 54 5.941 8.748 -3.341 1.00 9.05 C ATOM 849 C ARG A 54 6.459 7.302 -3.502 1.00 8.96 C ATOM 850 O ARG A 54 5.705 6.348 -3.481 1.00 11.60 O ATOM 851 CB ARG A 54 5.886 9.100 -1.866 1.00 7.97 C ATOM 852 CG ARG A 54 5.515 10.520 -1.499 1.00 9.62 C ATOM 853 CD ARG A 54 6.553 11.543 -1.745 1.00 12.20 C ATOM 854 NE ARG A 54 5.929 12.729 -1.032 1.00 18.23 N ATOM 855 CZ ARG A 54 6.401 13.962 -1.032 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.612 14.370 -1.387 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.689 14.853 -0.351 1.00 23.38 N ATOM 0 H ARG A 54 3.859 8.685 -3.430 1.00 8.53 H new ATOM 0 HA ARG A 54 6.644 9.407 -3.850 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.171 8.431 -1.387 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.863 8.885 -1.432 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.620 10.797 -2.057 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.252 10.544 -0.442 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.520 11.265 -1.324 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.710 11.731 -2.807 1.00 12.20 H new ATOM 0 HE ARG A 54 5.071 12.559 -0.508 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.305 13.693 -1.707 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.851 15.361 -1.340 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.836 14.565 0.129 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.995 15.825 -0.308 1.00 23.38 H new ATOM 871 N THR A 55 7.779 7.117 -3.663 1.00 9.05 N ATOM 872 CA THR A 55 8.444 5.819 -3.822 1.00 9.03 C ATOM 873 C THR A 55 8.642 5.014 -2.513 1.00 8.15 C ATOM 874 O THR A 55 8.844 5.553 -1.429 1.00 5.91 O ATOM 875 CB THR A 55 9.847 5.821 -4.538 1.00 11.15 C ATOM 876 OG1 THR A 55 10.957 6.422 -3.786 1.00 11.95 O ATOM 877 CG2 THR A 55 9.754 6.627 -5.829 1.00 11.71 C ATOM 0 H THR A 55 8.435 7.898 -3.687 1.00 9.05 H new ATOM 0 HA THR A 55 7.709 5.342 -4.471 1.00 9.03 H new ATOM 0 HB THR A 55 10.069 4.762 -4.673 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.748 5.847 -3.855 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.724 6.630 -6.327 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.010 6.177 -6.486 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.461 7.651 -5.598 1.00 11.71 H new ATOM 885 N LEU A 56 8.708 3.677 -2.658 1.00 6.91 N ATOM 886 CA LEU A 56 9.102 2.658 -1.628 1.00 8.29 C ATOM 887 C LEU A 56 10.490 2.893 -1.093 1.00 8.05 C ATOM 888 O LEU A 56 10.781 2.832 0.125 1.00 10.17 O ATOM 889 CB LEU A 56 9.058 1.214 -2.207 1.00 6.60 C ATOM 890 CG LEU A 56 7.632 0.704 -2.513 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.584 -0.570 -3.299 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.755 0.456 -1.275 1.00 8.64 C ATOM 0 H LEU A 56 8.476 3.237 -3.548 1.00 6.91 H new ATOM 0 HA LEU A 56 8.377 2.765 -0.821 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.649 1.182 -3.123 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.532 0.535 -1.498 1.00 6.60 H new ATOM 0 HG LEU A 56 7.241 1.537 -3.097 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.545 -0.854 -3.468 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.081 -0.425 -4.258 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.090 -1.359 -2.744 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.774 0.100 -1.590 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.226 -0.294 -0.640 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.642 1.385 -0.717 1.00 8.64 H new ATOM 904 N SER A 57 11.378 3.294 -2.027 1.00 8.92 N ATOM 905 CA SER A 57 12.742 3.764 -1.606 1.00 9.00 C ATOM 906 C SER A 57 12.732 4.901 -0.669 1.00 9.44 C ATOM 907 O SER A 57 13.453 4.836 0.315 1.00 10.91 O ATOM 908 CB SER A 57 13.638 3.848 -2.831 1.00 10.32 C ATOM 909 OG SER A 57 13.096 4.724 -3.844 1.00 13.59 O ATOM 0 H SER A 57 11.203 3.308 -3.032 1.00 8.92 H new ATOM 0 HA SER A 57 13.210 3.023 -0.958 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.624 4.205 -2.534 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.773 2.851 -3.250 1.00 10.32 H new ATOM 0 HG SER A 57 12.516 4.210 -4.445 1.00 13.59 H new ATOM 915 N ASP A 58 11.925 5.997 -0.918 1.00 9.11 N ATOM 916 CA ASP A 58 11.892 7.175 -0.159 1.00 7.91 C ATOM 917 C ASP A 58 11.026 6.986 1.161 1.00 9.12 C ATOM 918 O ASP A 58 11.183 7.741 2.115 1.00 8.61 O ATOM 919 CB ASP A 58 11.289 8.290 -1.034 1.00 8.41 C ATOM 920 CG ASP A 58 11.678 9.629 -0.359 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.819 9.908 0.004 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.726 10.439 -0.348 1.00 11.70 O ATOM 0 H ASP A 58 11.274 6.020 -1.703 1.00 9.11 H new ATOM 0 HA ASP A 58 12.904 7.436 0.151 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.678 8.240 -2.051 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.206 8.189 -1.102 1.00 8.41 H new ATOM 927 N TYR A 59 10.220 5.937 1.264 1.00 7.97 N ATOM 928 CA TYR A 59 9.573 5.573 2.516 1.00 8.45 C ATOM 929 C TYR A 59 10.335 4.586 3.324 1.00 10.98 C ATOM 930 O TYR A 59 9.878 4.103 4.370 1.00 12.95 O ATOM 931 CB TYR A 59 8.230 4.970 2.182 1.00 7.94 C ATOM 932 CG TYR A 59 7.150 5.990 1.987 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.997 7.029 2.888 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.370 5.989 0.841 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.071 8.041 2.661 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.342 6.952 0.615 1.00 6.52 C ATOM 937 CZ TYR A 59 5.185 7.956 1.588 1.00 6.76 C ATOM 938 OH TYR A 59 4.094 8.888 1.480 1.00 7.63 O ATOM 0 H TYR A 59 9.998 5.317 0.485 1.00 7.97 H new ATOM 0 HA TYR A 59 9.498 6.480 3.115 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.324 4.373 1.275 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.937 4.290 2.982 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.605 7.054 3.780 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.547 5.231 0.092 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.038 8.897 3.319 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.713 6.912 -0.262 1.00 6.52 H new ATOM 0 HH TYR A 59 4.351 9.741 1.889 1.00 7.63 H new ATOM 948 N ASN A 60 11.582 4.260 2.995 1.00 12.38 N ATOM 949 CA ASN A 60 12.485 3.442 3.802 1.00 13.94 C ATOM 950 C ASN A 60 11.987 1.989 3.917 1.00 14.16 C ATOM 951 O ASN A 60 12.141 1.324 4.979 1.00 14.26 O ATOM 952 CB ASN A 60 12.860 4.156 5.117 1.00 19.23 C ATOM 953 CG ASN A 60 13.301 5.551 4.895 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.358 5.900 4.365 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.375 6.419 5.356 1.00 24.09 N ATOM 0 H ASN A 60 12.009 4.571 2.123 1.00 12.38 H new ATOM 0 HA ASN A 60 13.441 3.334 3.289 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.001 4.152 5.788 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.655 3.601 5.615 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.532 7.423 5.274 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.518 6.070 5.786 1.00 24.09 H new ATOM 962 N ILE A 61 11.380 1.461 2.816 1.00 11.08 N ATOM 963 CA ILE A 61 10.738 0.180 2.824 1.00 11.78 C ATOM 964 C ILE A 61 11.617 -0.822 2.229 1.00 13.74 C ATOM 965 O ILE A 61 12.008 -0.743 1.046 1.00 14.60 O ATOM 966 CB ILE A 61 9.409 0.340 2.006 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.459 1.289 2.776 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.717 -0.988 1.967 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.142 1.603 2.096 1.00 11.42 C ATOM 0 H ILE A 61 11.340 1.937 1.915 1.00 11.08 H new ATOM 0 HA ILE A 61 10.518 -0.156 3.837 1.00 11.78 H new ATOM 0 HB ILE A 61 9.638 0.717 1.009 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.247 0.847 3.750 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.984 2.227 2.959 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.789 -0.898 1.402 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.365 -1.722 1.487 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.493 -1.312 2.983 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.559 2.275 2.725 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.333 2.080 1.135 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.585 0.680 1.938 1.00 11.42 H new ATOM 981 N GLN A 62 12.033 -1.802 3.006 1.00 13.97 N ATOM 982 CA GLN A 62 12.911 -2.919 2.667 1.00 15.52 C ATOM 983 C GLN A 62 12.215 -4.238 2.454 1.00 13.94 C ATOM 984 O GLN A 62 10.993 -4.348 2.583 1.00 12.15 O ATOM 985 CB GLN A 62 14.077 -2.997 3.621 1.00 19.53 C ATOM 986 CG GLN A 62 13.877 -3.686 4.962 1.00 26.38 C ATOM 987 CD GLN A 62 13.018 -2.958 5.987 1.00 30.61 C ATOM 988 OE1 GLN A 62 12.820 -1.761 5.864 1.00 33.23 O ATOM 989 NE2 GLN A 62 12.472 -3.704 6.956 1.00 32.71 N ATOM 0 H GLN A 62 11.741 -1.846 3.982 1.00 13.97 H new ATOM 0 HA GLN A 62 13.308 -2.696 1.677 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.892 -3.506 3.106 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.411 -1.979 3.819 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.431 -4.664 4.778 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.858 -3.861 5.404 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.676 -4.702 7.007 1.00 32.71 H new ATOM 0 HE22 GLN A 62 11.852 -3.274 7.643 1.00 32.71 H new ATOM 998 N LYS A 63 12.990 -5.241 1.975 1.00 11.73 N ATOM 999 CA LYS A 63 12.381 -6.522 1.738 1.00 11.97 C ATOM 1000 C LYS A 63 11.850 -7.200 2.923 1.00 10.41 C ATOM 1001 O LYS A 63 12.516 -7.255 3.970 1.00 9.59 O ATOM 1002 CB LYS A 63 13.411 -7.511 1.049 1.00 13.73 C ATOM 1003 CG LYS A 63 14.677 -7.908 1.762 1.00 16.98 C ATOM 1004 CD LYS A 63 15.456 -8.878 0.939 1.00 20.19 C ATOM 1005 CE LYS A 63 16.728 -9.363 1.582 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.636 -10.031 0.549 1.00 25.97 N ATOM 0 H LYS A 63 13.985 -5.173 1.762 1.00 11.73 H new ATOM 0 HA LYS A 63 11.533 -6.288 1.094 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.871 -8.429 0.816 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.703 -7.063 0.099 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.282 -7.023 1.962 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.434 -8.353 2.727 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.824 -9.738 0.719 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.701 -8.411 -0.015 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.250 -8.525 2.044 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.492 -10.070 2.378 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.507 -10.358 1.013 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.143 -10.843 0.127 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.876 -9.346 -0.196 1.00 25.97 H new ATOM 1020 N GLU A 64 10.586 -7.637 2.788 1.00 10.04 N ATOM 1021 CA GLU A 64 9.811 -8.348 3.754 1.00 10.94 C ATOM 1022 C GLU A 64 9.177 -7.431 4.761 1.00 9.74 C ATOM 1023 O GLU A 64 8.819 -7.831 5.879 1.00 9.42 O ATOM 1024 CB GLU A 64 10.575 -9.625 4.321 1.00 18.31 C ATOM 1025 CG GLU A 64 10.951 -10.586 3.176 1.00 24.16 C ATOM 1026 CD GLU A 64 11.382 -11.908 3.803 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.611 -12.578 4.503 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.491 -12.360 3.369 1.00 32.61 O ATOM 0 H GLU A 64 10.063 -7.478 1.927 1.00 10.04 H new ATOM 0 HA GLU A 64 8.949 -8.788 3.252 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.475 -9.312 4.850 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.944 -10.142 5.044 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.102 -10.738 2.510 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.758 -10.167 2.574 1.00 24.16 H new ATOM 1035 N SER A 65 9.095 -6.106 4.402 1.00 6.85 N ATOM 1036 CA SER A 65 8.482 -5.123 5.256 1.00 6.90 C ATOM 1037 C SER A 65 6.959 -5.355 5.220 1.00 4.72 C ATOM 1038 O SER A 65 6.380 -5.597 4.165 1.00 3.91 O ATOM 1039 CB SER A 65 8.654 -3.716 4.647 1.00 7.28 C ATOM 1040 OG SER A 65 9.956 -3.226 4.877 1.00 10.56 O ATOM 0 H SER A 65 9.455 -5.733 3.524 1.00 6.85 H new ATOM 0 HA SER A 65 8.925 -5.200 6.249 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.458 -3.752 3.575 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.922 -3.035 5.082 1.00 7.28 H new ATOM 0 HG SER A 65 10.550 -3.526 4.158 1.00 10.56 H new ATOM 1046 N THR A 66 6.313 -5.147 6.400 1.00 4.48 N ATOM 1047 CA THR A 66 4.885 -5.087 6.434 1.00 3.80 C ATOM 1048 C THR A 66 4.390 -3.662 6.154 1.00 4.60 C ATOM 1049 O THR A 66 4.986 -2.716 6.725 1.00 5.33 O ATOM 1050 CB THR A 66 4.308 -5.515 7.780 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.761 -6.820 8.168 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.805 -5.721 7.773 1.00 3.40 C ATOM 0 H THR A 66 6.774 -5.025 7.302 1.00 4.48 H new ATOM 0 HA THR A 66 4.545 -5.779 5.663 1.00 3.80 H new ATOM 0 HB THR A 66 4.623 -4.703 8.435 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.371 -7.057 9.035 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.475 -6.024 8.767 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.311 -4.790 7.495 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.548 -6.498 7.053 1.00 3.40 H new ATOM 1060 N LEU A 67 3.306 -3.500 5.375 1.00 4.17 N ATOM 1061 CA LEU A 67 2.554 -2.232 5.132 1.00 3.85 C ATOM 1062 C LEU A 67 1.156 -2.584 5.568 1.00 3.80 C ATOM 1063 O LEU A 67 0.839 -3.765 5.724 1.00 5.54 O ATOM 1064 CB LEU A 67 2.558 -1.754 3.638 1.00 7.18 C ATOM 1065 CG LEU A 67 3.803 -1.202 2.973 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.059 -2.105 3.011 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.539 -0.764 1.537 1.00 11.66 C ATOM 0 H LEU A 67 2.900 -4.285 4.866 1.00 4.17 H new ATOM 0 HA LEU A 67 3.007 -1.398 5.668 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.230 -2.602 3.036 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.789 -0.986 3.552 1.00 7.18 H new ATOM 0 HG LEU A 67 4.042 -0.341 3.597 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.883 -1.603 2.504 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.335 -2.301 4.047 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.844 -3.048 2.508 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.459 -0.375 1.100 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.193 -1.618 0.954 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.776 0.015 1.528 1.00 11.66 H new ATOM 1079 N HIS A 68 0.333 -1.589 5.962 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.032 -1.794 6.437 1.00 4.17 C ATOM 1081 C HIS A 68 -2.053 -1.073 5.601 1.00 5.32 C ATOM 1082 O HIS A 68 -1.846 0.047 5.123 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.205 -1.377 7.941 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.100 -1.754 8.918 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.006 -0.925 9.080 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.169 -2.964 9.570 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.867 -1.692 9.890 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.389 -2.911 10.156 1.00 16.30 N ATOM 0 H HIS A 68 0.613 -0.608 5.955 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.209 -2.866 6.345 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.327 -0.294 7.976 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.135 -1.814 8.304 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.497 -3.813 9.601 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.816 -1.331 10.258 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.848 -3.649 10.690 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.230 -1.678 5.410 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.243 -1.226 4.498 1.00 3.97 C ATOM 1098 C LEU A 69 -5.605 -1.032 5.263 1.00 5.07 C ATOM 1099 O LEU A 69 -6.109 -1.860 6.074 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.475 -2.264 3.358 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.676 -2.033 2.397 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.436 -0.850 1.526 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.919 -3.367 1.559 1.00 9.96 C ATOM 0 H LEU A 69 -3.496 -2.525 5.912 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.904 -0.283 4.069 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.568 -2.307 2.755 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.599 -3.244 3.818 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.579 -1.813 2.967 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.289 -0.708 0.862 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.306 0.037 2.145 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.537 -1.012 0.932 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.759 -3.222 0.879 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.024 -3.604 0.984 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.141 -4.189 2.240 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.266 0.102 4.869 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.513 0.444 5.451 1.00 6.26 C ATOM 1117 C VAL A 70 -8.389 0.968 4.280 1.00 9.22 C ATOM 1118 O VAL A 70 -7.877 1.746 3.460 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.346 1.572 6.482 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.734 1.949 7.030 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.412 1.206 7.650 1.00 8.54 C ATOM 0 H VAL A 70 -5.927 0.754 4.162 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.951 -0.414 5.961 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.879 2.412 5.968 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.631 2.749 7.763 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.369 2.287 6.211 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.187 1.078 7.504 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.342 2.049 8.338 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.811 0.340 8.178 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.421 0.970 7.263 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.646 0.603 4.101 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.560 1.131 3.085 1.00 16.06 C ATOM 1133 C LEU A 71 -10.922 2.584 3.244 1.00 18.09 C ATOM 1134 O LEU A 71 -10.920 3.038 4.351 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.927 0.290 3.027 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.764 -1.150 2.558 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.121 -1.807 2.931 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.444 -1.326 1.057 1.00 19.57 C ATOM 0 H LEU A 71 -10.086 -0.106 4.687 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.993 1.033 2.159 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.379 0.287 4.019 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.624 0.799 2.361 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.896 -1.608 3.033 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.111 -2.856 2.634 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.276 -1.736 4.008 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.930 -1.291 2.413 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.348 -2.387 0.827 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.249 -0.897 0.461 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.509 -0.818 0.822 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.239 3.356 2.199 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.340 4.835 2.212 1.00 25.83 C ATOM 1152 C ARG A 72 -12.685 5.132 1.591 1.00 27.74 C ATOM 1153 O ARG A 72 -12.840 4.910 0.372 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.223 5.277 1.302 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.860 6.790 1.604 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.580 7.185 0.840 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.959 8.359 1.554 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.677 8.654 1.466 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.858 8.022 0.660 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.206 9.675 2.159 1.00 35.02 N ATOM 0 H ARG A 72 -11.442 2.961 1.281 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.263 5.318 3.186 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.347 4.645 1.451 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.523 5.165 0.260 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.685 7.437 1.307 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.713 6.931 2.675 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.883 6.348 0.804 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.816 7.447 -0.191 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.557 8.951 2.130 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.206 7.268 0.068 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -4.873 8.285 0.625 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -6.832 10.222 2.751 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -5.217 9.917 2.102 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.672 5.669 2.330 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.040 5.844 1.751 1.00 30.76 C ATOM 1176 C LEU A 73 -15.430 7.310 1.755 1.00 32.18 C ATOM 1177 O LEU A 73 -16.498 7.642 1.325 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.074 5.084 2.612 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.844 3.560 2.665 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.779 2.868 3.744 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.146 2.891 1.303 1.00 29.11 C ATOM 0 H LEU A 73 -13.568 5.983 3.295 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.027 5.459 0.731 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.049 5.481 3.627 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.072 5.277 2.219 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.795 3.426 2.929 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.590 1.795 3.754 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.567 3.283 4.729 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.823 3.050 3.491 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.973 1.818 1.379 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.186 3.073 1.031 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.492 3.311 0.538 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.553 8.229 2.135 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.681 9.677 2.153 1.00 35.33 C ATOM 1195 C ARG A 74 -15.187 10.192 3.460 1.00 36.22 C ATOM 1196 O ARG A 74 -15.957 11.162 3.535 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.416 10.307 0.867 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.803 9.996 -0.527 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.419 10.543 -0.692 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.515 12.038 -0.582 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.400 12.708 -0.352 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.198 12.111 -0.480 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.398 13.969 0.069 1.00 41.93 N ATOM 0 H ARG A 74 -13.634 7.945 2.475 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.661 10.051 2.061 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.450 9.961 0.866 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.442 11.390 0.990 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.781 8.916 -0.676 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.447 10.412 -1.302 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -12.754 10.143 0.073 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.004 10.254 -1.658 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.409 12.519 -0.681 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.142 11.131 -0.757 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.344 12.639 -0.300 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.281 14.456 0.226 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.514 14.450 0.235 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.731 9.594 4.566 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.064 9.888 5.980 1.00 36.07 C ATOM 1219 C GLY A 75 -13.936 10.600 6.690 1.00 36.16 C ATOM 1220 O GLY A 75 -14.210 11.104 7.792 1.00 36.26 O ATOM 0 H GLY A 75 -14.063 8.826 4.498 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.963 10.503 6.021 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.290 8.957 6.500 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.765 10.707 6.120 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.569 10.985 6.786 1.00 36.19 C ATOM 1226 C GLY A 76 -10.330 11.131 5.941 1.00 36.20 C ATOM 1227 O GLY A 76 -10.232 12.095 5.085 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.432 10.266 6.051 1.00 0.00 O ATOM 0 H GLY A 76 -12.638 10.591 5.115 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.703 11.907 7.351 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.393 10.190 7.510 1.00 36.19 H new TER 1232 GLY A 76