USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 22 THR OG1 : rot -133:sc= 0.805 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.904 K(o=1.7,f=0.44) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 169:sc= 0.996 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.212 (180deg=-1.45) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.42 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.031) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0.118!) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.0563 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 2.11 (180deg=1.95) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.956 K(o=0.96,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.22 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 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 11.388 -7.156 -5.080 1.00 9.67 N ATOM 2 CA MET A 1 11.391 -6.933 -3.611 1.00 10.38 C ATOM 3 C MET A 1 10.067 -7.460 -3.134 1.00 9.62 C ATOM 4 O MET A 1 8.999 -7.125 -3.684 1.00 9.62 O ATOM 5 CB MET A 1 11.425 -5.440 -3.248 1.00 13.77 C ATOM 6 CG MET A 1 11.574 -5.118 -1.782 1.00 16.29 C ATOM 7 SD MET A 1 11.884 -3.437 -1.363 1.00 17.17 S ATOM 8 CE MET A 1 10.145 -2.949 -1.731 1.00 16.11 C ATOM 0 H1 MET A 1 12.366 -7.156 -5.433 1.00 9.67 H new ATOM 0 H2 MET A 1 10.944 -8.072 -5.291 1.00 9.67 H new ATOM 0 H3 MET A 1 10.852 -6.396 -5.545 1.00 9.67 H new ATOM 0 HA MET A 1 12.265 -7.411 -3.169 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.250 -4.974 -3.787 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.506 -4.978 -3.609 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.664 -5.432 -1.271 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.388 -5.723 -1.383 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.832 -2.169 -1.038 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.081 -2.574 -2.752 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.493 -3.815 -1.621 1.00 16.11 H new ATOM 20 N GLN A 2 10.039 -8.286 -2.019 1.00 9.27 N ATOM 21 CA GLN A 2 8.772 -8.780 -1.474 1.00 9.07 C ATOM 22 C GLN A 2 8.296 -7.934 -0.353 1.00 8.72 C ATOM 23 O GLN A 2 9.087 -7.367 0.422 1.00 8.22 O ATOM 24 CB GLN A 2 9.067 -10.222 -0.904 1.00 14.46 C ATOM 25 CG GLN A 2 7.884 -11.074 -0.288 1.00 17.01 C ATOM 26 CD GLN A 2 8.258 -12.487 0.079 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.994 -13.021 1.146 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.904 -13.220 -0.886 1.00 19.49 N ATOM 0 H GLN A 2 10.869 -8.598 -1.516 1.00 9.27 H new ATOM 0 HA GLN A 2 8.009 -8.774 -2.252 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.506 -10.809 -1.711 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.831 -10.118 -0.133 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.513 -10.567 0.602 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.063 -11.103 -1.004 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.133 -12.792 -1.783 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.155 -14.192 -0.706 1.00 19.49 H new ATOM 37 N ILE A 3 6.991 -7.835 -0.227 1.00 5.87 N ATOM 38 CA ILE A 3 6.363 -6.955 0.744 1.00 5.07 C ATOM 39 C ILE A 3 5.103 -7.556 1.310 1.00 4.01 C ATOM 40 O ILE A 3 4.495 -8.316 0.604 1.00 4.61 O ATOM 41 CB ILE A 3 6.116 -5.444 0.439 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.264 -5.285 -0.857 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.410 -4.690 0.340 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.410 -4.056 -0.811 1.00 10.83 C ATOM 0 H ILE A 3 6.329 -8.363 -0.796 1.00 5.87 H new ATOM 0 HA ILE A 3 7.185 -6.901 1.457 1.00 5.07 H new ATOM 0 HB ILE A 3 5.556 -5.014 1.269 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.924 -5.237 -1.723 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.631 -6.163 -0.987 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.204 -3.641 0.127 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.951 -4.770 1.283 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.016 -5.111 -0.462 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.831 -3.980 -1.732 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.732 -4.116 0.040 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.044 -3.176 -0.708 1.00 10.83 H new ATOM 56 N PHE A 4 4.683 -7.126 2.544 1.00 4.55 N ATOM 57 CA PHE A 4 3.452 -7.611 3.186 1.00 4.68 C ATOM 58 C PHE A 4 2.534 -6.398 3.371 1.00 5.30 C ATOM 59 O PHE A 4 2.947 -5.284 3.723 1.00 5.58 O ATOM 60 CB PHE A 4 3.660 -8.301 4.515 1.00 4.83 C ATOM 61 CG PHE A 4 4.632 -9.472 4.313 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.262 -10.510 3.448 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.870 -9.495 4.884 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.192 -11.515 3.197 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.799 -10.469 4.604 1.00 10.61 C ATOM 66 CZ PHE A 4 6.534 -11.488 3.731 1.00 8.90 C ATOM 0 H PHE A 4 5.194 -6.441 3.101 1.00 4.55 H new ATOM 0 HA PHE A 4 3.021 -8.375 2.539 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.060 -7.599 5.247 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.709 -8.662 4.907 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.284 -10.530 2.990 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.132 -8.716 5.585 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.898 -12.349 2.577 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.764 -10.428 5.087 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.278 -12.223 3.459 1.00 8.90 H new ATOM 76 N VAL A 5 1.264 -6.557 3.127 1.00 4.44 N ATOM 77 CA VAL A 5 0.191 -5.559 3.428 1.00 3.87 C ATOM 78 C VAL A 5 -0.918 -6.294 4.177 1.00 4.93 C ATOM 79 O VAL A 5 -1.317 -7.429 3.787 1.00 6.84 O ATOM 80 CB VAL A 5 -0.335 -4.912 2.179 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.261 -3.748 2.588 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.703 -4.311 1.259 1.00 9.13 C ATOM 0 H VAL A 5 0.899 -7.407 2.697 1.00 4.44 H new ATOM 0 HA VAL A 5 0.595 -4.751 4.038 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.823 -5.719 1.633 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.654 -3.264 1.694 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.088 -4.133 3.185 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.697 -3.023 3.174 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.210 -3.873 0.391 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.257 -3.537 1.791 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.392 -5.089 0.930 1.00 9.13 H new ATOM 92 N LYS A 6 -1.360 -5.773 5.313 1.00 6.04 N ATOM 93 CA LYS A 6 -2.360 -6.382 6.164 1.00 6.12 C ATOM 94 C LYS A 6 -3.719 -5.652 5.989 1.00 6.57 C ATOM 95 O LYS A 6 -3.792 -4.437 6.246 1.00 5.76 O ATOM 96 CB LYS A 6 -2.033 -6.247 7.701 1.00 7.45 C ATOM 97 CG LYS A 6 -0.706 -6.961 8.133 1.00 11.12 C ATOM 98 CD LYS A 6 -0.887 -8.474 8.136 1.00 14.54 C ATOM 99 CE LYS A 6 0.447 -9.226 8.339 1.00 18.84 C ATOM 100 NZ LYS A 6 0.155 -10.638 8.590 1.00 20.55 N ATOM 0 H LYS A 6 -1.017 -4.883 5.676 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.385 -7.431 5.870 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.965 -5.190 7.956 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.861 -6.661 8.276 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.099 -6.687 7.451 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.411 -6.623 9.126 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.582 -8.752 8.928 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.337 -8.785 7.193 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.078 -9.122 7.456 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.998 -8.799 9.177 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.033 -11.134 8.846 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.528 -10.718 9.371 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.248 -11.067 7.732 1.00 20.55 H new ATOM 114 N THR A 7 -4.730 -6.401 5.588 1.00 7.41 N ATOM 115 CA THR A 7 -5.946 -5.808 5.088 1.00 7.48 C ATOM 116 C THR A 7 -6.932 -5.467 6.159 1.00 8.75 C ATOM 117 O THR A 7 -6.803 -5.889 7.341 1.00 8.58 O ATOM 118 CB THR A 7 -6.743 -6.478 3.851 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.335 -7.776 4.086 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.584 -6.740 2.929 1.00 9.17 C ATOM 0 H THR A 7 -4.728 -7.421 5.601 1.00 7.41 H new ATOM 0 HA THR A 7 -5.488 -4.923 4.647 1.00 7.48 H new ATOM 0 HB THR A 7 -7.572 -5.840 3.546 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.790 -8.080 3.273 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.946 -7.206 2.012 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.091 -5.798 2.687 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.873 -7.406 3.418 1.00 9.17 H new ATOM 128 N LEU A 8 -8.018 -4.734 5.798 1.00 9.84 N ATOM 129 CA LEU A 8 -9.019 -4.286 6.771 1.00 14.15 C ATOM 130 C LEU A 8 -9.821 -5.451 7.413 1.00 17.37 C ATOM 131 O LEU A 8 -10.248 -5.349 8.536 1.00 17.01 O ATOM 132 CB LEU A 8 -9.991 -3.222 6.182 1.00 16.63 C ATOM 133 CG LEU A 8 -10.798 -2.454 7.278 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.893 -1.622 8.277 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.773 -1.505 6.648 1.00 18.59 C ATOM 0 H LEU A 8 -8.212 -4.447 4.839 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.440 -3.815 7.566 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.421 -2.506 5.591 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.688 -3.712 5.503 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.307 -3.230 7.849 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.526 -1.118 9.007 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.208 -2.294 8.793 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.322 -0.880 7.719 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.325 -0.980 7.427 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.234 -0.782 6.036 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.470 -2.062 6.022 1.00 18.59 H new ATOM 147 N THR A 9 -9.865 -6.598 6.710 1.00 18.33 N ATOM 148 CA THR A 9 -10.527 -7.757 7.300 1.00 19.24 C ATOM 149 C THR A 9 -9.620 -8.772 7.831 1.00 19.48 C ATOM 150 O THR A 9 -10.015 -9.926 8.097 1.00 23.14 O ATOM 151 CB THR A 9 -11.489 -8.347 6.235 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.785 -8.610 4.999 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.671 -7.393 5.965 1.00 19.70 C ATOM 0 H THR A 9 -9.470 -6.738 5.780 1.00 18.33 H new ATOM 0 HA THR A 9 -11.076 -7.418 8.178 1.00 19.24 H new ATOM 0 HB THR A 9 -11.880 -9.285 6.629 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.408 -8.983 4.341 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.329 -7.832 5.215 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.228 -7.234 6.888 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.292 -6.438 5.601 1.00 19.70 H new ATOM 161 N GLY A 10 -8.365 -8.356 7.986 1.00 19.43 N ATOM 162 CA GLY A 10 -7.320 -9.143 8.626 1.00 18.74 C ATOM 163 C GLY A 10 -6.445 -10.070 7.760 1.00 17.62 C ATOM 164 O GLY A 10 -5.684 -10.892 8.281 1.00 19.74 O ATOM 0 H GLY A 10 -8.042 -7.444 7.663 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.655 -8.450 9.141 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.794 -9.758 9.391 1.00 18.74 H new ATOM 168 N LYS A 11 -6.612 -9.930 6.418 1.00 13.56 N ATOM 169 CA LYS A 11 -5.899 -10.818 5.528 1.00 11.91 C ATOM 170 C LYS A 11 -4.479 -10.390 5.303 1.00 10.18 C ATOM 171 O LYS A 11 -4.087 -9.266 5.522 1.00 9.10 O ATOM 172 CB LYS A 11 -6.648 -10.920 4.147 1.00 13.43 C ATOM 173 CG LYS A 11 -6.298 -12.122 3.229 1.00 16.69 C ATOM 174 CD LYS A 11 -6.853 -11.918 1.807 1.00 17.92 C ATOM 175 CE LYS A 11 -6.612 -13.142 0.936 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.365 -12.926 -0.322 1.00 21.93 N ATOM 0 H LYS A 11 -7.210 -9.238 5.967 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.873 -11.795 6.010 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.719 -10.950 4.347 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.453 -10.003 3.590 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.216 -12.246 3.185 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.707 -13.039 3.654 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.922 -11.711 1.858 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.381 -11.047 1.352 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.549 -13.269 0.733 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.951 -14.048 1.439 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.590 -13.845 -0.754 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.247 -12.415 -0.115 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.787 -12.366 -0.981 1.00 21.93 H new ATOM 190 N THR A 12 -3.602 -11.312 4.952 1.00 9.63 N ATOM 191 CA THR A 12 -2.254 -10.926 4.523 1.00 9.85 C ATOM 192 C THR A 12 -2.207 -10.979 3.042 1.00 11.66 C ATOM 193 O THR A 12 -2.600 -11.952 2.393 1.00 12.33 O ATOM 194 CB THR A 12 -1.066 -11.839 5.001 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.117 -11.927 6.419 1.00 10.91 O ATOM 196 CG2 THR A 12 0.290 -11.379 4.674 1.00 9.63 C ATOM 0 H THR A 12 -3.784 -12.316 4.952 1.00 9.63 H new ATOM 0 HA THR A 12 -2.106 -9.944 4.972 1.00 9.85 H new ATOM 0 HB THR A 12 -1.215 -12.779 4.469 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.502 -12.626 6.726 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.019 -12.093 5.057 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.396 -11.297 3.592 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.463 -10.404 5.130 1.00 9.63 H new ATOM 204 N ILE A 13 -1.660 -9.945 2.417 1.00 10.42 N ATOM 205 CA ILE A 13 -1.381 -9.904 0.967 1.00 11.84 C ATOM 206 C ILE A 13 0.119 -9.970 0.784 1.00 10.55 C ATOM 207 O ILE A 13 0.786 -9.248 1.540 1.00 11.92 O ATOM 208 CB ILE A 13 -1.817 -8.545 0.308 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.283 -8.128 0.746 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.595 -8.616 -1.228 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.766 -6.782 0.225 1.00 16.46 C ATOM 0 H ILE A 13 -1.389 -9.090 2.902 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.927 -10.728 0.508 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.186 -7.735 0.675 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.977 -8.898 0.409 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.327 -8.113 1.835 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.898 -7.673 -1.683 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.540 -8.797 -1.435 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.191 -9.428 -1.645 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.778 -6.595 0.583 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.103 -5.994 0.583 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.763 -6.791 -0.865 1.00 16.46 H new ATOM 223 N THR A 14 0.685 -10.797 -0.081 1.00 9.39 N ATOM 224 CA THR A 14 2.129 -10.756 -0.318 1.00 9.63 C ATOM 225 C THR A 14 2.242 -10.299 -1.723 1.00 11.20 C ATOM 226 O THR A 14 1.679 -10.973 -2.610 1.00 11.63 O ATOM 227 CB THR A 14 2.737 -12.145 -0.205 1.00 10.38 C ATOM 228 OG1 THR A 14 2.505 -12.670 1.105 1.00 16.30 O ATOM 229 CG2 THR A 14 4.262 -12.258 -0.450 1.00 11.66 C ATOM 0 H THR A 14 0.180 -11.496 -0.626 1.00 9.39 H new ATOM 0 HA THR A 14 2.644 -10.117 0.400 1.00 9.63 H new ATOM 0 HB THR A 14 2.243 -12.698 -1.004 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.077 -12.204 1.750 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.572 -13.297 -0.340 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.495 -11.914 -1.458 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.794 -11.642 0.276 1.00 11.66 H new ATOM 237 N LEU A 15 3.000 -9.216 -1.932 1.00 8.29 N ATOM 238 CA LEU A 15 3.287 -8.747 -3.257 1.00 9.03 C ATOM 239 C LEU A 15 4.788 -8.850 -3.598 1.00 8.59 C ATOM 240 O LEU A 15 5.664 -9.122 -2.751 1.00 7.79 O ATOM 241 CB LEU A 15 2.893 -7.293 -3.416 1.00 11.08 C ATOM 242 CG LEU A 15 1.369 -7.051 -3.228 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.994 -5.546 -3.476 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.433 -7.999 -4.048 1.00 15.27 C ATOM 0 H LEU A 15 3.418 -8.659 -1.187 1.00 8.29 H new ATOM 0 HA LEU A 15 2.711 -9.383 -3.929 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.442 -6.692 -2.691 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.190 -6.948 -4.406 1.00 11.08 H new ATOM 0 HG LEU A 15 1.183 -7.306 -2.185 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.079 -5.411 -3.337 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.534 -4.915 -2.770 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.266 -5.266 -4.494 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.608 -7.747 -3.845 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.635 -7.878 -5.112 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.619 -9.033 -3.758 1.00 15.27 H new ATOM 256 N GLU A 16 5.080 -8.716 -4.899 1.00 11.04 N ATOM 257 CA GLU A 16 6.426 -8.615 -5.438 1.00 11.50 C ATOM 258 C GLU A 16 6.376 -7.324 -6.211 1.00 10.13 C ATOM 259 O GLU A 16 5.555 -7.043 -7.102 1.00 9.83 O ATOM 260 CB GLU A 16 6.905 -9.686 -6.357 1.00 17.22 C ATOM 261 CG GLU A 16 8.377 -9.502 -6.932 1.00 23.33 C ATOM 262 CD GLU A 16 9.386 -10.223 -6.057 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.256 -11.500 -5.887 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.448 -9.621 -5.654 1.00 28.90 O ATOM 0 H GLU A 16 4.359 -8.675 -5.619 1.00 11.04 H new ATOM 0 HA GLU A 16 7.125 -8.691 -4.605 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.859 -10.638 -5.829 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.214 -9.753 -7.197 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.427 -9.890 -7.949 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.624 -8.441 -6.983 1.00 23.33 H new ATOM 271 N VAL A 17 7.301 -6.412 -5.834 1.00 8.99 N ATOM 272 CA VAL A 17 7.314 -5.051 -6.239 1.00 8.85 C ATOM 273 C VAL A 17 8.715 -4.705 -6.522 1.00 8.04 C ATOM 274 O VAL A 17 9.656 -5.453 -6.262 1.00 8.99 O ATOM 275 CB VAL A 17 6.632 -4.073 -5.264 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.086 -4.421 -5.089 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.413 -4.140 -3.870 1.00 10.54 C ATOM 0 H VAL A 17 8.076 -6.648 -5.214 1.00 8.99 H new ATOM 0 HA VAL A 17 6.698 -4.943 -7.132 1.00 8.85 H new ATOM 0 HB VAL A 17 6.676 -3.058 -5.659 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.630 -3.714 -4.395 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.586 -4.354 -6.055 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.983 -5.433 -4.696 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.949 -3.455 -3.160 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.369 -5.156 -3.477 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.454 -3.855 -4.022 1.00 10.54 H new ATOM 287 N GLU A 18 8.990 -3.487 -7.074 1.00 7.29 N ATOM 288 CA GLU A 18 10.304 -2.925 -7.020 1.00 7.08 C ATOM 289 C GLU A 18 10.249 -1.772 -6.034 1.00 6.45 C ATOM 290 O GLU A 18 9.222 -1.210 -5.803 1.00 5.28 O ATOM 291 CB GLU A 18 10.761 -2.555 -8.430 1.00 10.28 C ATOM 292 CG GLU A 18 10.995 -3.748 -9.372 1.00 12.65 C ATOM 293 CD GLU A 18 11.736 -3.345 -10.652 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.026 -2.748 -11.502 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.924 -3.718 -10.866 1.00 18.17 O ATOM 0 H GLU A 18 8.300 -2.906 -7.551 1.00 7.29 H new ATOM 0 HA GLU A 18 11.059 -3.625 -6.662 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.014 -1.899 -8.877 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.685 -1.982 -8.357 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.568 -4.513 -8.849 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.036 -4.193 -9.636 1.00 12.65 H new ATOM 302 N PRO A 19 11.351 -1.382 -5.420 1.00 7.24 N ATOM 303 CA PRO A 19 11.307 -0.308 -4.366 1.00 7.07 C ATOM 304 C PRO A 19 11.125 1.039 -4.998 1.00 6.65 C ATOM 305 O PRO A 19 10.980 2.063 -4.301 1.00 6.37 O ATOM 306 CB PRO A 19 12.725 -0.345 -3.811 1.00 7.61 C ATOM 307 CG PRO A 19 13.644 -0.951 -4.907 1.00 8.16 C ATOM 308 CD PRO A 19 12.678 -1.930 -5.640 1.00 7.49 C ATOM 0 HA PRO A 19 10.506 -0.462 -3.643 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.058 0.658 -3.544 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.765 -0.946 -2.903 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.036 -0.187 -5.578 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.502 -1.470 -4.479 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.909 -1.990 -6.704 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.760 -2.940 -5.238 1.00 7.49 H new ATOM 316 N SER A 20 11.210 1.127 -6.322 1.00 6.80 N ATOM 317 CA SER A 20 11.067 2.301 -7.195 1.00 6.28 C ATOM 318 C SER A 20 9.683 2.456 -7.776 1.00 8.45 C ATOM 319 O SER A 20 9.317 3.406 -8.459 1.00 7.26 O ATOM 320 CB SER A 20 12.021 2.181 -8.435 1.00 8.57 C ATOM 321 OG SER A 20 11.950 0.878 -9.021 1.00 11.13 O ATOM 0 H SER A 20 11.401 0.291 -6.874 1.00 6.80 H new ATOM 0 HA SER A 20 11.300 3.152 -6.555 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.751 2.931 -9.178 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.046 2.389 -8.129 1.00 8.57 H new ATOM 0 HG SER A 20 12.553 0.833 -9.792 1.00 11.13 H new ATOM 327 N ASP A 21 8.787 1.437 -7.508 1.00 7.50 N ATOM 328 CA ASP A 21 7.353 1.603 -7.709 1.00 7.70 C ATOM 329 C ASP A 21 6.755 2.754 -6.837 1.00 7.08 C ATOM 330 O ASP A 21 7.082 2.939 -5.681 1.00 8.11 O ATOM 331 CB ASP A 21 6.690 0.241 -7.383 1.00 11.00 C ATOM 332 CG ASP A 21 6.915 -0.801 -8.449 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.253 -0.379 -9.602 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.776 -2.050 -8.241 1.00 18.03 O ATOM 0 H ASP A 21 9.059 0.518 -7.159 1.00 7.50 H new ATOM 0 HA ASP A 21 7.156 1.895 -8.740 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.081 -0.128 -6.435 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.618 0.389 -7.249 1.00 11.00 H new ATOM 339 N THR A 22 5.826 3.557 -7.412 1.00 5.37 N ATOM 340 CA THR A 22 5.005 4.470 -6.650 1.00 6.01 C ATOM 341 C THR A 22 3.935 3.818 -5.857 1.00 8.01 C ATOM 342 O THR A 22 3.459 2.712 -6.174 1.00 8.11 O ATOM 343 CB THR A 22 4.477 5.680 -7.368 1.00 8.92 C ATOM 344 OG1 THR A 22 3.517 5.227 -8.374 1.00 10.22 O ATOM 345 CG2 THR A 22 5.564 6.584 -8.017 1.00 9.65 C ATOM 0 H THR A 22 5.642 3.574 -8.415 1.00 5.37 H new ATOM 0 HA THR A 22 5.749 4.863 -5.957 1.00 6.01 H new ATOM 0 HB THR A 22 4.007 6.317 -6.619 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.702 5.673 -9.227 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.086 7.430 -8.511 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.241 6.950 -7.245 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.127 6.007 -8.750 1.00 9.65 H new ATOM 353 N ILE A 23 3.398 4.515 -4.769 1.00 8.32 N ATOM 354 CA ILE A 23 2.285 4.119 -3.962 1.00 9.92 C ATOM 355 C ILE A 23 1.109 3.884 -4.845 1.00 10.01 C ATOM 356 O ILE A 23 0.370 2.919 -4.718 1.00 8.71 O ATOM 357 CB ILE A 23 2.014 5.240 -2.887 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.157 5.279 -1.853 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.724 5.018 -2.117 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.545 3.959 -1.206 1.00 12.30 C ATOM 0 H ILE A 23 3.792 5.405 -4.464 1.00 8.32 H new ATOM 0 HA ILE A 23 2.490 3.190 -3.430 1.00 9.92 H new ATOM 0 HB ILE A 23 1.942 6.174 -3.444 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.041 5.691 -2.340 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.876 5.974 -1.062 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.591 5.821 -1.392 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.117 5.012 -2.810 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.771 4.062 -1.596 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.359 4.125 -0.500 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.685 3.546 -0.678 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.869 3.258 -1.975 1.00 12.30 H new ATOM 372 N GLU A 24 0.875 4.744 -5.885 1.00 9.54 N ATOM 373 CA GLU A 24 -0.160 4.587 -6.895 1.00 11.81 C ATOM 374 C GLU A 24 -0.037 3.243 -7.600 1.00 11.14 C ATOM 375 O GLU A 24 -1.072 2.602 -7.801 1.00 10.62 O ATOM 376 CB GLU A 24 0.002 5.806 -7.868 1.00 19.24 C ATOM 377 CG GLU A 24 -1.027 5.890 -9.031 1.00 27.76 C ATOM 378 CD GLU A 24 -0.801 7.203 -9.797 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.408 8.244 -9.436 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.093 7.225 -10.707 1.00 36.51 O ATOM 0 H GLU A 24 1.434 5.586 -6.025 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.160 4.584 -6.461 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.064 6.724 -7.283 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.004 5.773 -8.297 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.911 5.038 -9.700 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.043 5.851 -8.639 1.00 27.76 H new ATOM 387 N ASN A 25 1.154 2.770 -7.976 1.00 9.43 N ATOM 388 CA ASN A 25 1.304 1.511 -8.633 1.00 10.96 C ATOM 389 C ASN A 25 1.052 0.385 -7.654 1.00 9.68 C ATOM 390 O ASN A 25 0.331 -0.547 -8.054 1.00 9.33 O ATOM 391 CB ASN A 25 2.675 1.402 -9.297 1.00 16.78 C ATOM 392 CG ASN A 25 2.673 2.197 -10.610 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.540 1.667 -11.685 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.078 3.443 -10.559 1.00 24.70 N ATOM 0 H ASN A 25 2.032 3.267 -7.823 1.00 9.43 H new ATOM 0 HA ASN A 25 0.563 1.433 -9.429 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.446 1.785 -8.629 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.914 0.357 -9.493 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.276 3.951 -11.421 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.195 3.905 -9.657 1.00 24.70 H new ATOM 401 N VAL A 26 1.593 0.422 -6.411 1.00 6.52 N ATOM 402 CA VAL A 26 1.460 -0.698 -5.437 1.00 5.53 C ATOM 403 C VAL A 26 -0.068 -0.852 -5.119 1.00 4.42 C ATOM 404 O VAL A 26 -0.633 -1.937 -5.095 1.00 3.40 O ATOM 405 CB VAL A 26 2.328 -0.478 -4.196 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.004 -1.576 -3.123 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.727 -0.620 -4.678 1.00 8.12 C ATOM 0 H VAL A 26 2.127 1.215 -6.056 1.00 6.52 H new ATOM 0 HA VAL A 26 1.832 -1.632 -5.859 1.00 5.53 H new ATOM 0 HB VAL A 26 2.155 0.492 -3.730 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.624 -1.417 -2.241 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.952 -1.513 -2.844 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.211 -2.562 -3.538 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.415 -0.476 -3.845 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.868 -1.616 -5.097 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.925 0.128 -5.446 1.00 8.12 H new ATOM 417 N LYS A 27 -0.853 0.313 -4.890 1.00 2.64 N ATOM 418 CA LYS A 27 -2.293 0.276 -4.721 1.00 4.14 C ATOM 419 C LYS A 27 -2.997 -0.475 -5.949 1.00 5.58 C ATOM 420 O LYS A 27 -3.903 -1.255 -5.859 1.00 4.11 O ATOM 421 CB LYS A 27 -3.023 1.607 -4.505 1.00 3.97 C ATOM 422 CG LYS A 27 -2.678 2.123 -3.076 1.00 7.45 C ATOM 423 CD LYS A 27 -3.412 3.472 -2.699 1.00 9.02 C ATOM 424 CE LYS A 27 -3.281 4.628 -3.710 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.172 5.661 -3.257 1.00 15.47 N ATOM 0 H LYS A 27 -0.457 1.251 -4.829 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.391 -0.263 -3.779 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.717 2.335 -5.256 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.099 1.472 -4.611 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.945 1.357 -2.347 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.601 2.272 -3.002 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.472 3.257 -2.561 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.028 3.813 -1.738 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.254 4.992 -3.754 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.546 4.298 -4.715 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.025 6.520 -3.825 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.156 5.341 -3.361 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.980 5.871 -2.257 1.00 15.47 H new ATOM 439 N ALA A 28 -2.531 -0.191 -7.213 1.00 6.61 N ATOM 440 CA ALA A 28 -3.057 -0.892 -8.389 1.00 7.74 C ATOM 441 C ALA A 28 -2.844 -2.365 -8.435 1.00 9.17 C ATOM 442 O ALA A 28 -3.638 -3.146 -8.977 1.00 11.45 O ATOM 443 CB ALA A 28 -2.429 -0.285 -9.670 1.00 7.68 C ATOM 0 H ALA A 28 -1.812 0.503 -7.417 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.136 -0.750 -8.323 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.818 -0.804 -10.547 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.682 0.773 -9.733 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.345 -0.398 -9.633 1.00 7.68 H new ATOM 449 N LYS A 29 -1.727 -2.785 -7.749 1.00 8.96 N ATOM 450 CA LYS A 29 -1.251 -4.189 -7.569 1.00 7.90 C ATOM 451 C LYS A 29 -2.117 -4.853 -6.457 1.00 6.92 C ATOM 452 O LYS A 29 -2.537 -5.996 -6.629 1.00 6.87 O ATOM 453 CB LYS A 29 0.268 -4.257 -7.051 1.00 10.28 C ATOM 454 CG LYS A 29 0.978 -5.571 -7.375 1.00 14.94 C ATOM 455 CD LYS A 29 1.209 -5.865 -8.859 1.00 19.69 C ATOM 456 CE LYS A 29 2.123 -7.052 -9.154 1.00 22.63 C ATOM 457 NZ LYS A 29 2.426 -7.161 -10.645 1.00 24.98 N ATOM 0 H LYS A 29 -1.111 -2.116 -7.288 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.326 -4.687 -8.536 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.829 -3.434 -7.494 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.280 -4.106 -5.972 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.944 -5.572 -6.871 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.396 -6.389 -6.950 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.243 -6.045 -9.332 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.632 -4.976 -9.327 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.054 -6.943 -8.598 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.651 -7.972 -8.808 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.049 -7.977 -10.814 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.538 -7.289 -11.171 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.898 -6.292 -10.968 1.00 24.98 H new ATOM 471 N ILE A 30 -2.496 -4.101 -5.354 1.00 4.57 N ATOM 472 CA ILE A 30 -3.395 -4.608 -4.331 1.00 5.58 C ATOM 473 C ILE A 30 -4.789 -4.801 -4.879 1.00 7.26 C ATOM 474 O ILE A 30 -5.471 -5.842 -4.684 1.00 9.46 O ATOM 475 CB ILE A 30 -3.457 -3.791 -3.098 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.126 -3.852 -2.369 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.601 -4.270 -2.072 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.002 -2.870 -1.254 1.00 2.00 C ATOM 0 H ILE A 30 -2.173 -3.148 -5.186 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.965 -5.567 -4.041 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.693 -2.778 -3.422 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.986 -4.857 -1.972 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.323 -3.678 -3.085 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.591 -3.629 -1.191 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.575 -4.205 -2.557 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.413 -5.301 -1.772 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.025 -2.976 -0.783 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.108 -1.859 -1.646 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.782 -3.057 -0.516 1.00 2.00 H new ATOM 490 N GLN A 31 -5.243 -3.842 -5.697 1.00 7.06 N ATOM 491 CA GLN A 31 -6.451 -3.954 -6.525 1.00 8.67 C ATOM 492 C GLN A 31 -6.531 -5.127 -7.481 1.00 10.90 C ATOM 493 O GLN A 31 -7.503 -5.867 -7.487 1.00 9.63 O ATOM 494 CB GLN A 31 -6.658 -2.703 -7.466 1.00 9.12 C ATOM 495 CG GLN A 31 -7.820 -2.859 -8.444 1.00 10.76 C ATOM 496 CD GLN A 31 -7.663 -1.870 -9.552 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.576 -1.405 -9.889 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.877 -1.430 -10.103 1.00 14.76 N ATOM 0 H GLN A 31 -4.769 -2.945 -5.804 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.203 -4.065 -5.744 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.829 -1.820 -6.850 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.741 -2.527 -8.029 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.841 -3.872 -8.845 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.768 -2.700 -7.930 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.757 -1.844 -9.794 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.879 -0.697 -10.812 1.00 14.76 H new ATOM 507 N ASP A 32 -5.459 -5.440 -8.211 1.00 10.93 N ATOM 508 CA ASP A 32 -5.335 -6.619 -9.045 1.00 14.01 C ATOM 509 C ASP A 32 -5.482 -7.914 -8.248 1.00 14.04 C ATOM 510 O ASP A 32 -6.278 -8.793 -8.646 1.00 13.39 O ATOM 511 CB ASP A 32 -3.946 -6.467 -9.708 1.00 18.01 C ATOM 512 CG ASP A 32 -3.440 -7.658 -10.538 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.000 -8.030 -11.572 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.418 -8.225 -10.061 1.00 25.17 O ATOM 0 H ASP A 32 -4.626 -4.852 -8.233 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.130 -6.690 -9.787 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.972 -5.589 -10.354 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.216 -6.264 -8.924 1.00 18.01 H new ATOM 519 N LYS A 33 -4.809 -8.004 -7.097 1.00 14.22 N ATOM 520 CA LYS A 33 -4.932 -9.143 -6.177 1.00 14.00 C ATOM 521 C LYS A 33 -6.336 -9.252 -5.468 1.00 12.37 C ATOM 522 O LYS A 33 -6.972 -10.302 -5.460 1.00 12.17 O ATOM 523 CB LYS A 33 -3.859 -8.962 -5.052 1.00 18.62 C ATOM 524 CG LYS A 33 -3.700 -10.115 -4.071 1.00 24.00 C ATOM 525 CD LYS A 33 -2.927 -11.319 -4.644 1.00 27.61 C ATOM 526 CE LYS A 33 -1.396 -10.974 -4.705 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.680 -12.208 -5.059 1.00 30.06 N ATOM 0 H LYS A 33 -4.160 -7.286 -6.774 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.799 -10.046 -6.773 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.894 -8.783 -5.527 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.107 -8.064 -4.486 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.184 -9.754 -3.181 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.688 -10.448 -3.753 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.088 -12.199 -4.021 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.296 -11.562 -5.640 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.207 -10.196 -5.444 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.050 -10.592 -3.744 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.341 -12.015 -5.108 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.861 -12.934 -4.336 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.013 -12.549 -5.983 1.00 30.06 H new ATOM 541 N GLU A 34 -6.905 -8.219 -4.831 1.00 10.11 N ATOM 542 CA GLU A 34 -8.009 -8.330 -3.889 1.00 10.07 C ATOM 543 C GLU A 34 -9.285 -7.661 -4.310 1.00 9.32 C ATOM 544 O GLU A 34 -10.285 -7.678 -3.595 1.00 11.61 O ATOM 545 CB GLU A 34 -7.641 -7.786 -2.492 1.00 14.77 C ATOM 546 CG GLU A 34 -6.602 -8.504 -1.600 1.00 18.75 C ATOM 547 CD GLU A 34 -6.957 -9.851 -1.083 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.977 -9.989 -0.344 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.238 -10.848 -1.441 1.00 25.19 O ATOM 0 H GLU A 34 -6.594 -7.257 -4.967 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.189 -9.405 -3.861 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.288 -6.764 -2.631 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.567 -7.729 -1.919 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.676 -8.595 -2.168 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.390 -7.861 -0.746 1.00 18.75 H new ATOM 556 N GLY A 35 -9.261 -6.976 -5.466 1.00 7.22 N ATOM 557 CA GLY A 35 -10.448 -6.451 -6.082 1.00 6.29 C ATOM 558 C GLY A 35 -10.874 -5.096 -5.510 1.00 6.93 C ATOM 559 O GLY A 35 -11.951 -4.563 -5.773 1.00 7.41 O ATOM 0 H GLY A 35 -8.405 -6.781 -5.985 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.279 -6.349 -7.154 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.262 -7.164 -5.954 1.00 6.29 H new ATOM 563 N ILE A 36 -9.990 -4.505 -4.672 1.00 5.86 N ATOM 564 CA ILE A 36 -10.266 -3.254 -3.997 1.00 6.07 C ATOM 565 C ILE A 36 -9.940 -1.983 -4.758 1.00 6.36 C ATOM 566 O ILE A 36 -8.783 -1.859 -5.229 1.00 6.18 O ATOM 567 CB ILE A 36 -9.610 -3.202 -2.616 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.972 -4.444 -1.753 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.104 -1.903 -1.853 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.930 -4.686 -0.652 1.00 9.49 C ATOM 0 H ILE A 36 -9.073 -4.896 -4.458 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.353 -3.264 -3.912 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.530 -3.187 -2.764 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.954 -4.301 -1.301 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.040 -5.325 -2.391 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.639 -1.861 -0.868 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.825 -1.017 -2.424 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.188 -1.936 -1.742 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.214 -5.561 -0.068 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.953 -4.854 -1.106 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.881 -3.815 0.001 1.00 9.49 H new ATOM 582 N PRO A 37 -10.798 -0.916 -4.902 1.00 8.65 N ATOM 583 CA PRO A 37 -10.459 0.292 -5.647 1.00 9.18 C ATOM 584 C PRO A 37 -9.287 1.121 -5.109 1.00 9.85 C ATOM 585 O PRO A 37 -9.418 1.487 -3.955 1.00 8.51 O ATOM 586 CB PRO A 37 -11.748 1.045 -5.723 1.00 11.42 C ATOM 587 CG PRO A 37 -12.807 -0.015 -5.617 1.00 9.27 C ATOM 588 CD PRO A 37 -12.236 -1.030 -4.649 1.00 8.33 C ATOM 0 HA PRO A 37 -10.060 0.030 -6.627 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.832 1.772 -4.915 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.831 1.597 -6.659 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.746 0.398 -5.250 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.015 -0.466 -6.587 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.488 -0.795 -3.615 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.607 -2.036 -4.847 1.00 8.33 H new ATOM 596 N PRO A 38 -8.228 1.566 -5.844 1.00 8.71 N ATOM 597 CA PRO A 38 -7.109 2.419 -5.354 1.00 9.08 C ATOM 598 C PRO A 38 -7.417 3.806 -4.781 1.00 9.28 C ATOM 599 O PRO A 38 -6.552 4.362 -4.146 1.00 6.50 O ATOM 600 CB PRO A 38 -6.241 2.585 -6.631 1.00 10.31 C ATOM 601 CG PRO A 38 -6.590 1.409 -7.578 1.00 10.81 C ATOM 602 CD PRO A 38 -8.057 1.152 -7.216 1.00 12.00 C ATOM 0 HA PRO A 38 -6.670 1.928 -4.486 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.445 3.541 -7.113 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.180 2.575 -6.379 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.467 1.677 -8.627 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.963 0.536 -7.396 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.721 1.712 -7.874 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.305 0.097 -7.335 1.00 12.00 H new ATOM 610 N ASP A 39 -8.631 4.272 -4.970 1.00 11.20 N ATOM 611 CA ASP A 39 -9.197 5.387 -4.292 1.00 14.96 C ATOM 612 C ASP A 39 -9.633 5.211 -2.849 1.00 13.99 C ATOM 613 O ASP A 39 -9.263 5.952 -1.985 1.00 13.75 O ATOM 614 CB ASP A 39 -10.317 6.013 -5.101 1.00 24.16 C ATOM 615 CG ASP A 39 -9.816 6.623 -6.393 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.121 7.683 -6.258 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.103 6.109 -7.503 1.00 34.22 O ATOM 0 H ASP A 39 -9.275 3.851 -5.640 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.338 6.053 -4.211 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.068 5.256 -5.326 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.808 6.782 -4.504 1.00 24.16 H new ATOM 622 N GLN A 40 -10.280 4.038 -2.548 1.00 11.60 N ATOM 623 CA GLN A 40 -10.651 3.593 -1.263 1.00 10.76 C ATOM 624 C GLN A 40 -9.498 3.355 -0.444 1.00 8.01 C ATOM 625 O GLN A 40 -9.495 3.653 0.748 1.00 8.96 O ATOM 626 CB GLN A 40 -11.425 2.304 -1.234 1.00 11.14 C ATOM 627 CG GLN A 40 -12.841 2.408 -1.899 1.00 14.85 C ATOM 628 CD GLN A 40 -13.573 1.032 -1.851 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.067 0.027 -1.296 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.772 0.916 -2.475 1.00 18.16 N ATOM 0 H GLN A 40 -10.549 3.376 -3.276 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.283 4.402 -0.896 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.849 1.532 -1.744 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.541 1.983 -0.199 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.437 3.161 -1.383 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.740 2.736 -2.934 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.191 1.727 -2.929 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.254 0.017 -2.490 1.00 18.16 H new ATOM 639 N GLN A 41 -8.437 2.771 -1.077 1.00 6.52 N ATOM 640 CA GLN A 41 -7.250 2.199 -0.517 1.00 3.87 C ATOM 641 C GLN A 41 -6.359 3.234 0.087 1.00 4.79 C ATOM 642 O GLN A 41 -5.942 4.231 -0.543 1.00 6.34 O ATOM 643 CB GLN A 41 -6.392 1.461 -1.545 1.00 4.20 C ATOM 644 CG GLN A 41 -6.890 0.070 -2.081 1.00 3.20 C ATOM 645 CD GLN A 41 -5.901 -0.606 -2.991 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.684 -0.609 -2.750 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.363 -1.231 -4.130 1.00 7.13 N ATOM 0 H GLN A 41 -8.427 2.700 -2.095 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.625 1.504 0.234 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.264 2.120 -2.404 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.405 1.313 -1.107 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.100 -0.584 -1.234 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.829 0.210 -2.616 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.361 -1.236 -4.340 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.707 -1.688 -4.763 1.00 7.13 H new ATOM 656 N ARG A 42 -6.066 3.126 1.431 1.00 5.73 N ATOM 657 CA ARG A 42 -5.028 3.891 2.103 1.00 6.97 C ATOM 658 C ARG A 42 -4.047 3.015 2.764 1.00 7.15 C ATOM 659 O ARG A 42 -4.413 2.059 3.487 1.00 7.33 O ATOM 660 CB ARG A 42 -5.574 4.935 3.068 1.00 13.23 C ATOM 661 CG ARG A 42 -6.595 5.884 2.371 1.00 21.27 C ATOM 662 CD ARG A 42 -6.970 7.196 3.149 1.00 26.14 C ATOM 663 NE ARG A 42 -7.446 8.248 2.205 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.770 9.486 2.582 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.944 9.882 3.871 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.977 10.384 1.663 1.00 36.39 N ATOM 0 H ARG A 42 -6.566 2.492 2.054 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.514 4.443 1.317 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.056 4.437 3.909 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.750 5.522 3.474 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.191 6.167 1.399 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.511 5.323 2.185 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.746 6.981 3.883 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.102 7.559 3.700 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.528 8.008 1.217 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.827 9.212 4.631 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.192 10.849 4.078 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.890 10.135 0.678 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.226 11.337 1.928 1.00 36.39 H new ATOM 680 N LEU A 43 -2.788 3.328 2.530 1.00 4.65 N ATOM 681 CA LEU A 43 -1.657 2.529 2.972 1.00 3.51 C ATOM 682 C LEU A 43 -0.917 3.244 4.111 1.00 5.56 C ATOM 683 O LEU A 43 -0.360 4.292 3.981 1.00 4.19 O ATOM 684 CB LEU A 43 -0.666 2.211 1.822 1.00 3.74 C ATOM 685 CG LEU A 43 -1.073 1.080 0.745 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.150 1.100 -0.473 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.058 -0.278 1.565 1.00 6.41 C ATOM 0 H LEU A 43 -2.514 4.165 2.015 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.059 1.580 3.327 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.483 3.137 1.277 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.281 1.914 2.273 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.057 1.242 0.305 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.457 0.324 -1.175 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.210 2.074 -0.959 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.876 0.916 -0.155 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.325 -1.104 0.906 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.061 -0.446 1.972 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.778 -0.218 2.381 1.00 6.41 H new ATOM 699 N ILE A 44 -0.969 2.602 5.321 1.00 4.58 N ATOM 700 CA ILE A 44 -0.409 3.106 6.528 1.00 5.55 C ATOM 701 C ILE A 44 0.840 2.234 6.883 1.00 5.46 C ATOM 702 O ILE A 44 0.917 1.020 6.671 1.00 6.04 O ATOM 703 CB ILE A 44 -1.443 2.953 7.716 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.820 3.619 7.466 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.828 3.580 8.931 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.770 5.154 7.209 1.00 13.90 C ATOM 0 H ILE A 44 -1.424 1.697 5.441 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.150 4.156 6.393 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.641 1.887 7.831 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.290 3.137 6.609 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.460 3.430 8.328 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.515 3.493 9.773 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.105 3.071 9.170 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.627 4.633 8.735 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.780 5.529 7.045 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.334 5.654 8.074 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.161 5.356 6.328 1.00 13.90 H new ATOM 718 N PHE A 45 1.853 2.960 7.272 1.00 6.75 N ATOM 719 CA PHE A 45 3.049 2.364 7.827 1.00 4.70 C ATOM 720 C PHE A 45 3.655 3.317 8.788 1.00 6.34 C ATOM 721 O PHE A 45 3.708 4.508 8.493 1.00 5.45 O ATOM 722 CB PHE A 45 4.095 1.917 6.733 1.00 5.51 C ATOM 723 CG PHE A 45 5.362 1.242 7.278 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.382 0.052 8.047 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.560 1.749 6.832 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.572 -0.582 8.377 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.767 1.148 7.145 1.00 6.64 C ATOM 728 CZ PHE A 45 7.789 0.006 7.932 1.00 6.84 C ATOM 0 H PHE A 45 1.878 3.978 7.216 1.00 6.75 H new ATOM 0 HA PHE A 45 2.758 1.446 8.337 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.604 1.230 6.043 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.389 2.793 6.155 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.448 -0.372 8.385 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.559 2.640 6.221 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.574 -1.495 8.954 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.691 1.568 6.777 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.734 -0.439 8.208 1.00 6.84 H new ATOM 738 N ALA A 46 4.120 2.864 9.988 1.00 6.53 N ATOM 739 CA ALA A 46 4.749 3.632 11.074 1.00 7.15 C ATOM 740 C ALA A 46 3.820 4.801 11.496 1.00 9.00 C ATOM 741 O ALA A 46 4.267 5.904 11.737 1.00 11.15 O ATOM 742 CB ALA A 46 6.083 4.179 10.617 1.00 8.99 C ATOM 0 H ALA A 46 4.054 1.875 10.227 1.00 6.53 H new ATOM 0 HA ALA A 46 4.909 2.973 11.927 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.541 4.746 11.428 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.738 3.354 10.336 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.933 4.832 9.757 1.00 8.99 H new ATOM 748 N GLY A 47 2.474 4.500 11.499 1.00 9.35 N ATOM 749 CA GLY A 47 1.541 5.519 11.838 1.00 11.68 C ATOM 750 C GLY A 47 1.313 6.604 10.791 1.00 11.14 C ATOM 751 O GLY A 47 0.459 7.434 10.970 1.00 13.93 O ATOM 0 H GLY A 47 2.073 3.590 11.275 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.583 5.047 12.055 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.876 5.997 12.758 1.00 11.68 H new ATOM 755 N LYS A 48 2.068 6.632 9.642 1.00 10.47 N ATOM 756 CA LYS A 48 1.857 7.717 8.660 1.00 8.82 C ATOM 757 C LYS A 48 1.138 7.210 7.425 1.00 7.68 C ATOM 758 O LYS A 48 0.931 6.011 7.158 1.00 6.47 O ATOM 759 CB LYS A 48 3.167 8.562 8.263 1.00 9.74 C ATOM 760 CG LYS A 48 4.383 7.752 7.846 1.00 14.14 C ATOM 761 CD LYS A 48 5.626 8.634 7.565 1.00 16.32 C ATOM 762 CE LYS A 48 6.809 7.704 7.426 1.00 20.04 C ATOM 763 NZ LYS A 48 8.009 8.584 7.477 1.00 23.92 N ATOM 0 H LYS A 48 2.785 5.950 9.395 1.00 10.47 H new ATOM 0 HA LYS A 48 1.221 8.432 9.183 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.907 9.235 7.446 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.445 9.185 9.113 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.622 7.035 8.631 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.142 7.177 6.952 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.486 9.218 6.655 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.787 9.343 8.377 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.827 6.968 8.229 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.766 7.151 6.488 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.868 8.005 7.386 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.970 9.270 6.696 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.028 9.092 8.384 1.00 23.92 H new ATOM 777 N GLN A 49 0.632 8.185 6.662 1.00 8.89 N ATOM 778 CA GLN A 49 -0.224 7.914 5.538 1.00 7.18 C ATOM 779 C GLN A 49 0.636 8.066 4.248 1.00 8.23 C ATOM 780 O GLN A 49 1.000 9.152 3.835 1.00 9.70 O ATOM 781 CB GLN A 49 -1.437 8.839 5.555 1.00 11.67 C ATOM 782 CG GLN A 49 -2.747 8.266 4.863 1.00 15.82 C ATOM 783 CD GLN A 49 -4.022 9.156 4.948 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.035 8.955 5.614 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.965 10.133 4.020 1.00 20.67 N ATOM 0 H GLN A 49 0.813 9.177 6.819 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.624 6.901 5.578 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.672 9.082 6.591 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.166 9.773 5.062 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.526 8.085 3.811 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.975 7.299 5.312 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.110 10.276 3.482 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.777 10.729 3.856 1.00 20.67 H new ATOM 794 N LEU A 50 0.967 6.930 3.607 1.00 6.51 N ATOM 795 CA LEU A 50 1.864 6.874 2.404 1.00 7.41 C ATOM 796 C LEU A 50 1.132 7.569 1.299 1.00 8.27 C ATOM 797 O LEU A 50 -0.101 7.608 1.281 1.00 8.34 O ATOM 798 CB LEU A 50 2.251 5.405 2.027 1.00 7.13 C ATOM 799 CG LEU A 50 2.775 4.657 3.326 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.036 3.110 3.121 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.937 5.229 4.038 1.00 9.11 C ATOM 0 H LEU A 50 0.626 6.014 3.898 1.00 6.51 H new ATOM 0 HA LEU A 50 2.814 7.369 2.606 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.388 4.883 1.615 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.022 5.405 1.256 1.00 7.13 H new ATOM 0 HG LEU A 50 1.913 4.823 3.972 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.392 2.674 4.055 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.109 2.621 2.822 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.788 2.968 2.345 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.176 4.609 4.902 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.795 5.262 3.367 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.698 6.239 4.372 1.00 9.11 H new ATOM 813 N GLU A 51 1.809 8.265 0.337 1.00 9.43 N ATOM 814 CA GLU A 51 1.137 9.091 -0.665 1.00 11.90 C ATOM 815 C GLU A 51 1.513 8.685 -2.162 1.00 11.49 C ATOM 816 O GLU A 51 2.647 8.482 -2.539 1.00 9.88 O ATOM 817 CB GLU A 51 1.478 10.563 -0.488 1.00 16.56 C ATOM 818 CG GLU A 51 0.870 11.552 -1.441 1.00 26.06 C ATOM 819 CD GLU A 51 1.317 12.946 -1.082 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.861 13.448 -0.011 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.081 13.501 -1.839 1.00 32.13 O ATOM 0 H GLU A 51 2.825 8.257 0.251 1.00 9.43 H new ATOM 0 HA GLU A 51 0.072 8.919 -0.507 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.188 10.853 0.522 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.562 10.664 -0.550 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.167 11.317 -2.463 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.217 11.487 -1.402 1.00 26.06 H new ATOM 828 N ASP A 52 0.433 8.525 -2.959 1.00 12.71 N ATOM 829 CA ASP A 52 0.303 8.017 -4.310 1.00 16.56 C ATOM 830 C ASP A 52 1.430 8.323 -5.285 1.00 15.83 C ATOM 831 O ASP A 52 1.932 7.438 -5.996 1.00 17.21 O ATOM 832 CB ASP A 52 -0.958 8.556 -4.974 1.00 21.05 C ATOM 833 CG ASP A 52 -2.265 8.197 -4.263 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.491 8.612 -3.110 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.119 7.542 -4.937 1.00 25.82 O ATOM 0 H ASP A 52 -0.485 8.792 -2.603 1.00 12.71 H new ATOM 0 HA ASP A 52 0.300 6.941 -4.138 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.882 9.642 -5.037 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.002 8.180 -5.996 1.00 21.05 H new ATOM 840 N GLY A 53 1.771 9.612 -5.387 1.00 15.00 N ATOM 841 CA GLY A 53 2.863 10.024 -6.311 1.00 11.77 C ATOM 842 C GLY A 53 4.255 9.755 -5.857 1.00 11.10 C ATOM 843 O GLY A 53 5.191 10.107 -6.558 1.00 11.25 O ATOM 0 H GLY A 53 1.333 10.372 -4.867 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.712 9.518 -7.265 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.766 11.093 -6.498 1.00 11.77 H new ATOM 847 N ARG A 54 4.528 9.032 -4.741 1.00 8.53 N ATOM 848 CA ARG A 54 5.857 8.815 -4.193 1.00 9.05 C ATOM 849 C ARG A 54 6.111 7.310 -4.174 1.00 8.96 C ATOM 850 O ARG A 54 5.304 6.442 -4.416 1.00 11.60 O ATOM 851 CB ARG A 54 6.082 9.474 -2.800 1.00 7.97 C ATOM 852 CG ARG A 54 5.352 10.786 -2.679 1.00 9.62 C ATOM 853 CD ARG A 54 5.642 11.332 -1.354 1.00 12.20 C ATOM 854 NE ARG A 54 4.657 12.414 -1.034 1.00 18.23 N ATOM 855 CZ ARG A 54 4.959 13.413 -0.214 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.903 13.318 0.682 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.165 14.446 -0.237 1.00 23.38 N ATOM 0 H ARG A 54 3.796 8.578 -4.195 1.00 8.53 H new ATOM 0 HA ARG A 54 6.585 9.314 -4.833 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.743 8.795 -2.017 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.148 9.635 -2.642 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.675 11.477 -3.457 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.279 10.641 -2.807 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.588 10.543 -0.604 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.657 11.729 -1.327 1.00 12.20 H new ATOM 0 HE ARG A 54 3.730 12.382 -1.457 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.438 12.454 0.770 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.106 14.108 1.295 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.360 14.457 -0.864 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.348 15.244 0.372 1.00 23.38 H new ATOM 871 N THR A 55 7.347 6.962 -3.921 1.00 9.05 N ATOM 872 CA THR A 55 7.850 5.622 -4.062 1.00 9.03 C ATOM 873 C THR A 55 8.152 5.009 -2.672 1.00 8.15 C ATOM 874 O THR A 55 8.360 5.715 -1.694 1.00 5.91 O ATOM 875 CB THR A 55 9.053 5.417 -4.879 1.00 11.15 C ATOM 876 OG1 THR A 55 10.149 6.102 -4.379 1.00 11.95 O ATOM 877 CG2 THR A 55 8.845 5.956 -6.315 1.00 11.71 C ATOM 0 H THR A 55 8.052 7.626 -3.601 1.00 9.05 H new ATOM 0 HA THR A 55 7.036 5.136 -4.600 1.00 9.03 H new ATOM 0 HB THR A 55 9.231 4.342 -4.867 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.963 7.064 -4.382 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.750 5.792 -6.900 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.011 5.433 -6.783 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.627 7.023 -6.275 1.00 11.71 H new ATOM 885 N LEU A 56 8.224 3.641 -2.642 1.00 6.91 N ATOM 886 CA LEU A 56 8.648 2.901 -1.474 1.00 8.29 C ATOM 887 C LEU A 56 10.051 3.273 -0.998 1.00 8.05 C ATOM 888 O LEU A 56 10.336 3.367 0.217 1.00 10.17 O ATOM 889 CB LEU A 56 8.543 1.356 -1.790 1.00 6.60 C ATOM 890 CG LEU A 56 7.182 0.825 -2.253 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.312 -0.634 -2.716 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.094 0.935 -1.217 1.00 8.64 C ATOM 0 H LEU A 56 7.984 3.051 -3.438 1.00 6.91 H new ATOM 0 HA LEU A 56 7.986 3.164 -0.649 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.278 1.118 -2.559 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.832 0.808 -0.893 1.00 6.60 H new ATOM 0 HG LEU A 56 6.880 1.464 -3.083 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.339 -1.000 -3.043 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.018 -0.691 -3.545 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.672 -1.247 -1.890 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.164 0.538 -1.623 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.376 0.365 -0.331 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.954 1.981 -0.946 1.00 8.64 H new ATOM 904 N SER A 57 10.964 3.549 -2.009 1.00 8.92 N ATOM 905 CA SER A 57 12.278 4.120 -1.798 1.00 9.00 C ATOM 906 C SER A 57 12.315 5.476 -0.998 1.00 9.44 C ATOM 907 O SER A 57 13.226 5.678 -0.156 1.00 10.91 O ATOM 908 CB SER A 57 13.075 4.332 -3.053 1.00 10.32 C ATOM 909 OG SER A 57 14.363 4.944 -2.977 1.00 13.59 O ATOM 0 H SER A 57 10.764 3.363 -2.992 1.00 8.92 H new ATOM 0 HA SER A 57 12.732 3.338 -1.189 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.204 3.358 -3.525 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.467 4.935 -3.727 1.00 10.32 H new ATOM 0 HG SER A 57 14.749 5.007 -3.876 1.00 13.59 H new ATOM 915 N ASP A 58 11.293 6.362 -1.168 1.00 9.11 N ATOM 916 CA ASP A 58 11.100 7.624 -0.462 1.00 7.91 C ATOM 917 C ASP A 58 10.807 7.474 1.024 1.00 9.12 C ATOM 918 O ASP A 58 11.273 8.287 1.827 1.00 8.61 O ATOM 919 CB ASP A 58 10.050 8.465 -1.108 1.00 8.41 C ATOM 920 CG ASP A 58 10.436 8.798 -2.556 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.516 9.324 -2.734 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.634 8.460 -3.412 1.00 11.70 O ATOM 0 H ASP A 58 10.549 6.187 -1.844 1.00 9.11 H new ATOM 0 HA ASP A 58 12.063 8.129 -0.537 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.095 7.939 -1.093 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.915 9.386 -0.541 1.00 8.41 H new ATOM 927 N TYR A 59 10.033 6.412 1.375 1.00 7.97 N ATOM 928 CA TYR A 59 9.648 6.136 2.785 1.00 8.45 C ATOM 929 C TYR A 59 10.601 5.171 3.486 1.00 10.98 C ATOM 930 O TYR A 59 10.477 4.944 4.691 1.00 12.95 O ATOM 931 CB TYR A 59 8.194 5.498 2.829 1.00 7.94 C ATOM 932 CG TYR A 59 7.120 6.424 2.380 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.871 7.511 3.225 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.415 6.259 1.181 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.859 8.420 2.837 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.428 7.226 0.825 1.00 6.52 C ATOM 937 CZ TYR A 59 5.223 8.328 1.599 1.00 6.76 C ATOM 938 OH TYR A 59 4.357 9.340 1.254 1.00 7.63 O ATOM 0 H TYR A 59 9.665 5.737 0.705 1.00 7.97 H new ATOM 0 HA TYR A 59 9.684 7.093 3.305 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.179 4.607 2.201 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.980 5.174 3.848 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.430 7.651 4.138 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.615 5.415 0.537 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.571 9.207 3.518 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.837 7.083 -0.068 1.00 6.52 H new ATOM 0 HH TYR A 59 4.648 10.177 1.673 1.00 7.63 H new ATOM 948 N ASN A 60 11.590 4.624 2.699 1.00 12.38 N ATOM 949 CA ASN A 60 12.494 3.494 3.089 1.00 13.94 C ATOM 950 C ASN A 60 11.822 2.255 3.509 1.00 14.16 C ATOM 951 O ASN A 60 12.131 1.642 4.541 1.00 14.26 O ATOM 952 CB ASN A 60 13.525 3.855 4.151 1.00 19.23 C ATOM 953 CG ASN A 60 14.230 5.124 3.819 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.030 6.170 4.452 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.102 5.188 2.799 1.00 24.09 N ATOM 0 H ASN A 60 11.780 4.968 1.758 1.00 12.38 H new ATOM 0 HA ASN A 60 12.997 3.299 2.142 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.033 3.954 5.119 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.251 3.048 4.244 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.564 6.070 2.578 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.302 4.355 2.246 1.00 24.09 H new ATOM 962 N ILE A 61 10.899 1.918 2.615 1.00 11.08 N ATOM 963 CA ILE A 61 10.135 0.670 2.830 1.00 11.78 C ATOM 964 C ILE A 61 10.900 -0.458 2.158 1.00 13.74 C ATOM 965 O ILE A 61 11.145 -0.423 0.935 1.00 14.60 O ATOM 966 CB ILE A 61 8.639 0.754 2.379 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.847 1.776 3.275 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.020 -0.652 2.455 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.541 2.303 2.669 1.00 11.42 C ATOM 0 H ILE A 61 10.662 2.448 1.777 1.00 11.08 H new ATOM 0 HA ILE A 61 10.057 0.480 3.901 1.00 11.78 H new ATOM 0 HB ILE A 61 8.582 1.114 1.352 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.619 1.298 4.228 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.497 2.624 3.491 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.977 -0.608 2.143 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.567 -1.327 1.796 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.077 -1.020 3.480 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.072 2.999 3.364 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.756 2.816 1.731 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.865 1.469 2.480 1.00 11.42 H new ATOM 981 N GLN A 62 11.348 -1.497 2.899 1.00 13.97 N ATOM 982 CA GLN A 62 12.302 -2.428 2.353 1.00 15.52 C ATOM 983 C GLN A 62 11.677 -3.830 2.416 1.00 13.94 C ATOM 984 O GLN A 62 10.544 -4.055 2.873 1.00 12.15 O ATOM 985 CB GLN A 62 13.606 -2.346 3.126 1.00 19.53 C ATOM 986 CG GLN A 62 14.322 -0.959 3.118 1.00 26.38 C ATOM 987 CD GLN A 62 15.697 -0.835 3.809 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.701 -0.652 3.102 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.638 -0.884 5.148 1.00 32.71 N ATOM 0 H GLN A 62 11.057 -1.691 3.857 1.00 13.97 H new ATOM 0 HA GLN A 62 12.537 -2.191 1.315 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.409 -2.625 4.161 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.293 -3.089 2.721 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.445 -0.656 2.078 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.651 -0.237 3.583 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.744 -1.042 5.614 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.487 -0.763 5.701 1.00 32.71 H new ATOM 998 N LYS A 63 12.395 -4.852 1.806 1.00 11.73 N ATOM 999 CA LYS A 63 12.091 -6.262 1.803 1.00 11.97 C ATOM 1000 C LYS A 63 11.521 -6.862 3.080 1.00 10.41 C ATOM 1001 O LYS A 63 12.093 -6.786 4.167 1.00 9.59 O ATOM 1002 CB LYS A 63 13.458 -6.880 1.386 1.00 13.73 C ATOM 1003 CG LYS A 63 13.510 -8.413 1.485 1.00 16.98 C ATOM 1004 CD LYS A 63 14.955 -8.934 1.220 1.00 20.19 C ATOM 1005 CE LYS A 63 15.102 -10.465 1.071 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.481 -10.850 1.019 1.00 25.97 N ATOM 0 H LYS A 63 13.247 -4.652 1.282 1.00 11.73 H new ATOM 0 HA LYS A 63 11.258 -6.479 1.134 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.680 -6.585 0.360 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.242 -6.459 2.016 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.180 -8.730 2.474 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.822 -8.852 0.763 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.330 -8.462 0.312 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.595 -8.605 2.038 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.614 -10.963 1.909 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.595 -10.795 0.164 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.550 -11.883 0.919 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.939 -10.392 0.205 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.957 -10.555 1.895 1.00 25.97 H new ATOM 1020 N GLU A 64 10.338 -7.513 2.948 1.00 10.04 N ATOM 1021 CA GLU A 64 9.582 -8.234 3.963 1.00 10.94 C ATOM 1022 C GLU A 64 9.055 -7.292 5.035 1.00 9.74 C ATOM 1023 O GLU A 64 8.772 -7.700 6.171 1.00 9.42 O ATOM 1024 CB GLU A 64 10.289 -9.416 4.566 1.00 18.31 C ATOM 1025 CG GLU A 64 10.557 -10.387 3.431 1.00 24.16 C ATOM 1026 CD GLU A 64 11.485 -11.490 3.826 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.109 -11.478 4.951 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.601 -12.423 2.972 1.00 32.61 O ATOM 0 H GLU A 64 9.862 -7.540 2.047 1.00 10.04 H new ATOM 0 HA GLU A 64 8.737 -8.665 3.426 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.221 -9.109 5.041 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.676 -9.882 5.338 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.613 -10.815 3.093 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.982 -9.845 2.586 1.00 24.16 H new ATOM 1035 N SER A 65 8.751 -6.066 4.663 1.00 6.85 N ATOM 1036 CA SER A 65 8.108 -5.080 5.557 1.00 6.90 C ATOM 1037 C SER A 65 6.594 -5.250 5.548 1.00 4.72 C ATOM 1038 O SER A 65 6.061 -5.932 4.708 1.00 3.91 O ATOM 1039 CB SER A 65 8.522 -3.658 5.149 1.00 7.28 C ATOM 1040 OG SER A 65 8.259 -2.691 6.145 1.00 10.56 O ATOM 0 H SER A 65 8.938 -5.707 3.727 1.00 6.85 H new ATOM 0 HA SER A 65 8.445 -5.251 6.579 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.587 -3.650 4.917 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.995 -3.382 4.236 1.00 7.28 H new ATOM 0 HG SER A 65 8.545 -1.809 5.828 1.00 10.56 H new ATOM 1046 N THR A 66 5.930 -4.687 6.602 1.00 4.48 N ATOM 1047 CA THR A 66 4.474 -4.943 6.719 1.00 3.80 C ATOM 1048 C THR A 66 3.850 -3.632 6.775 1.00 4.60 C ATOM 1049 O THR A 66 3.987 -2.865 7.706 1.00 5.33 O ATOM 1050 CB THR A 66 4.183 -5.630 7.993 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.848 -6.924 7.928 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.737 -5.945 8.067 1.00 3.40 C ATOM 0 H THR A 66 6.344 -4.100 7.326 1.00 4.48 H new ATOM 0 HA THR A 66 4.117 -5.556 5.892 1.00 3.80 H new ATOM 0 HB THR A 66 4.498 -5.009 8.831 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.683 -7.418 8.758 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.523 -6.452 9.008 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.160 -5.022 8.013 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.463 -6.593 7.235 1.00 3.40 H new ATOM 1060 N LEU A 67 3.011 -3.339 5.784 1.00 4.17 N ATOM 1061 CA LEU A 67 2.171 -2.185 5.682 1.00 3.85 C ATOM 1062 C LEU A 67 0.825 -2.609 6.158 1.00 3.80 C ATOM 1063 O LEU A 67 0.475 -3.780 6.263 1.00 5.54 O ATOM 1064 CB LEU A 67 2.145 -1.723 4.151 1.00 7.18 C ATOM 1065 CG LEU A 67 3.511 -1.531 3.533 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.442 -0.929 2.152 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.452 -0.613 4.261 1.00 11.66 C ATOM 0 H LEU A 67 2.905 -3.958 4.980 1.00 4.17 H new ATOM 0 HA LEU A 67 2.521 -1.342 6.277 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.598 -2.465 3.570 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.591 -0.787 4.076 1.00 7.18 H new ATOM 0 HG LEU A 67 3.886 -2.554 3.559 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.450 -0.813 1.755 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.868 -1.585 1.498 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.958 0.046 2.204 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.397 -0.557 3.720 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.012 0.382 4.326 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.631 -0.997 5.265 1.00 11.66 H new ATOM 1079 N HIS A 68 0.016 -1.632 6.578 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.375 -1.893 6.801 1.00 4.17 C ATOM 1081 C HIS A 68 -2.100 -1.229 5.647 1.00 5.32 C ATOM 1082 O HIS A 68 -1.707 -0.203 5.095 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.909 -1.392 8.082 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.801 -2.386 9.137 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.601 -2.935 9.506 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.736 -3.056 9.858 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.849 -3.905 10.407 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -2.147 -3.988 10.677 1.00 16.30 N ATOM 0 H HIS A 68 0.311 -0.673 6.763 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.522 -2.972 6.856 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.368 -0.492 8.374 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.954 -1.109 7.955 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.800 -2.880 9.796 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.091 -4.533 10.852 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.605 -4.607 11.345 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.231 -1.828 5.262 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.243 -1.220 4.376 1.00 3.97 C ATOM 1098 C LEU A 69 -5.443 -0.924 5.171 1.00 5.07 C ATOM 1099 O LEU A 69 -6.043 -1.745 5.849 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.521 -2.203 3.235 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.561 -1.874 2.194 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.110 -0.729 1.281 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.898 -3.095 1.311 1.00 9.96 C ATOM 0 H LEU A 69 -3.479 -2.771 5.562 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.899 -0.282 3.940 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.579 -2.367 2.712 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.804 -3.153 3.687 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.449 -1.570 2.748 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.887 -0.523 0.545 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.931 0.164 1.879 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.191 -1.013 0.768 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.651 -2.815 0.575 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.997 -3.433 0.798 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.284 -3.901 1.936 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.884 0.333 5.139 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.187 0.698 5.630 1.00 6.26 C ATOM 1117 C VAL A 70 -7.939 1.291 4.498 1.00 9.22 C ATOM 1118 O VAL A 70 -7.512 1.359 3.353 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.126 1.625 6.906 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.355 0.940 8.058 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.317 2.919 6.459 1.00 8.54 C ATOM 0 H VAL A 70 -5.341 1.115 4.771 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.714 -0.187 5.987 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.131 1.850 7.263 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.330 1.602 8.923 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.855 0.010 8.328 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.336 0.724 7.736 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.237 3.607 7.301 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.319 2.629 6.132 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.840 3.409 5.638 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.197 1.735 4.688 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.049 2.269 3.644 1.00 16.06 C ATOM 1133 C LEU A 71 -10.481 3.717 4.025 1.00 18.09 C ATOM 1134 O LEU A 71 -10.685 4.004 5.188 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.302 1.457 3.297 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.066 0.003 2.887 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.444 -0.753 2.687 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.110 -0.179 1.670 1.00 19.57 C ATOM 0 H LEU A 71 -9.647 1.725 5.603 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.433 2.231 2.746 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.968 1.467 4.160 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.825 1.962 2.485 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.533 -0.461 3.717 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.253 -1.786 2.396 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.006 -0.737 3.621 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.021 -0.257 1.907 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.000 -1.241 1.449 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.526 0.331 0.801 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.134 0.245 1.907 1.00 19.57 H new