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 55 THR OG1 : rot 139:sc= 0.955 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.822 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.871 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.991 K(o=1.9,f=0.63) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.00821 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 138:sc= 0.989 (180deg=0.308) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.59 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000388) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.18 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.614 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.61 (180deg=-0.715!) 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=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 1.38 K(o=1.4,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.1) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0145 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=-0.013) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 108:sc= 1.25 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 11.472 -6.761 -5.200 1.00 9.67 N ATOM 2 CA MET A 1 11.498 -7.220 -3.732 1.00 10.38 C ATOM 3 C MET A 1 10.154 -7.491 -3.081 1.00 9.62 C ATOM 4 O MET A 1 9.145 -6.988 -3.548 1.00 9.62 O ATOM 5 CB MET A 1 12.285 -6.225 -2.878 1.00 13.77 C ATOM 6 CG MET A 1 11.601 -4.913 -2.535 1.00 16.29 C ATOM 7 SD MET A 1 12.815 -3.697 -1.924 1.00 17.17 S ATOM 8 CE MET A 1 11.496 -2.478 -1.815 1.00 16.11 C ATOM 0 H1 MET A 1 12.426 -6.463 -5.487 1.00 9.67 H new ATOM 0 H2 MET A 1 11.159 -7.547 -5.804 1.00 9.67 H new ATOM 0 H3 MET A 1 10.814 -5.962 -5.302 1.00 9.67 H new ATOM 0 HA MET A 1 11.988 -8.193 -3.774 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.555 -6.720 -1.945 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.215 -5.995 -3.397 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.095 -4.519 -3.417 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.836 -5.083 -1.778 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.898 -1.540 -1.431 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.071 -2.312 -2.805 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.719 -2.842 -1.143 1.00 16.11 H new ATOM 20 N GLN A 2 10.078 -8.278 -2.007 1.00 9.27 N ATOM 21 CA GLN A 2 8.863 -8.681 -1.386 1.00 9.07 C ATOM 22 C GLN A 2 8.418 -7.737 -0.273 1.00 8.72 C ATOM 23 O GLN A 2 9.260 -7.299 0.465 1.00 8.22 O ATOM 24 CB GLN A 2 9.040 -10.066 -0.733 1.00 14.46 C ATOM 25 CG GLN A 2 7.772 -10.883 -0.414 1.00 17.01 C ATOM 26 CD GLN A 2 8.142 -12.297 -0.352 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.818 -12.687 0.556 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.616 -13.130 -1.294 1.00 19.49 N ATOM 0 H GLN A 2 10.906 -8.655 -1.545 1.00 9.27 H new ATOM 0 HA GLN A 2 8.114 -8.685 -2.178 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.668 -10.667 -1.390 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.592 -9.929 0.197 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.341 -10.561 0.534 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.013 -10.722 -1.180 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.046 -12.750 -2.049 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.793 -14.133 -1.243 1.00 19.49 H new ATOM 37 N ILE A 3 7.111 -7.549 -0.202 1.00 5.87 N ATOM 38 CA ILE A 3 6.477 -6.869 0.952 1.00 5.07 C ATOM 39 C ILE A 3 5.226 -7.511 1.406 1.00 4.01 C ATOM 40 O ILE A 3 4.699 -8.365 0.729 1.00 4.61 O ATOM 41 CB ILE A 3 6.106 -5.432 0.742 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.109 -5.295 -0.460 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.417 -4.623 0.603 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.492 -3.899 -0.472 1.00 10.83 C ATOM 0 H ILE A 3 6.455 -7.852 -0.922 1.00 5.87 H new ATOM 0 HA ILE A 3 7.278 -6.948 1.687 1.00 5.07 H new ATOM 0 HB ILE A 3 5.562 -5.019 1.591 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.631 -5.478 -1.399 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.324 -6.047 -0.380 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.180 -3.570 0.449 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.010 -4.732 1.511 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.986 -4.996 -0.249 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.801 -3.814 -1.311 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.953 -3.731 0.461 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.281 -3.154 -0.575 1.00 10.83 H new ATOM 56 N PHE A 4 4.707 -7.232 2.630 1.00 4.55 N ATOM 57 CA PHE A 4 3.488 -7.708 3.118 1.00 4.68 C ATOM 58 C PHE A 4 2.578 -6.518 3.413 1.00 5.30 C ATOM 59 O PHE A 4 2.993 -5.559 4.062 1.00 5.58 O ATOM 60 CB PHE A 4 3.587 -8.608 4.338 1.00 4.83 C ATOM 61 CG PHE A 4 4.481 -9.795 4.075 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.035 -10.881 3.360 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.789 -9.776 4.549 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.814 -12.032 3.152 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.588 -10.912 4.350 1.00 10.61 C ATOM 66 CZ PHE A 4 6.106 -12.009 3.648 1.00 8.90 C ATOM 0 H PHE A 4 5.191 -6.634 3.299 1.00 4.55 H new ATOM 0 HA PHE A 4 3.075 -8.346 2.337 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.975 -8.038 5.182 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.592 -8.955 4.618 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.041 -10.848 2.939 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.180 -8.907 5.058 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.423 -12.893 2.630 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.592 -10.934 4.748 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.751 -12.860 3.486 1.00 8.90 H new ATOM 76 N VAL A 5 1.293 -6.694 3.032 1.00 4.44 N ATOM 77 CA VAL A 5 0.267 -5.682 3.275 1.00 3.87 C ATOM 78 C VAL A 5 -0.879 -6.370 4.013 1.00 4.93 C ATOM 79 O VAL A 5 -1.321 -7.450 3.622 1.00 6.84 O ATOM 80 CB VAL A 5 -0.297 -5.058 2.037 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.204 -3.879 2.481 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.826 -4.487 1.071 1.00 9.13 C ATOM 0 H VAL A 5 0.952 -7.530 2.556 1.00 4.44 H new ATOM 0 HA VAL A 5 0.738 -4.878 3.840 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.843 -5.824 1.486 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.634 -3.399 1.602 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.005 -4.256 3.117 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.611 -3.153 3.037 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.359 -4.047 0.190 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.403 -3.725 1.595 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.488 -5.297 0.764 1.00 9.13 H new ATOM 92 N LYS A 6 -1.246 -5.793 5.163 1.00 6.04 N ATOM 93 CA LYS A 6 -2.300 -6.427 5.973 1.00 6.12 C ATOM 94 C LYS A 6 -3.604 -5.684 5.809 1.00 6.57 C ATOM 95 O LYS A 6 -3.679 -4.471 5.444 1.00 5.76 O ATOM 96 CB LYS A 6 -1.763 -6.392 7.416 1.00 7.45 C ATOM 97 CG LYS A 6 -0.680 -7.415 7.784 1.00 11.12 C ATOM 98 CD LYS A 6 -1.156 -8.854 7.769 1.00 14.54 C ATOM 99 CE LYS A 6 -1.654 -9.351 9.137 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.938 -10.822 9.023 1.00 20.55 N ATOM 0 H LYS A 6 -0.854 -4.931 5.543 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.517 -7.452 5.671 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.365 -5.395 7.605 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.605 -6.532 8.094 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.153 -7.312 7.089 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.297 -7.181 8.777 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.960 -8.955 7.040 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.340 -9.495 7.434 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.903 -9.167 9.905 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.553 -8.811 9.434 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.589 -11.310 9.873 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.963 -10.972 8.934 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.458 -11.204 8.183 1.00 20.55 H new ATOM 114 N THR A 7 -4.723 -6.359 6.030 1.00 7.41 N ATOM 115 CA THR A 7 -6.079 -5.734 5.893 1.00 7.48 C ATOM 116 C THR A 7 -6.728 -5.918 7.142 1.00 8.75 C ATOM 117 O THR A 7 -6.289 -6.675 7.985 1.00 8.58 O ATOM 118 CB THR A 7 -6.929 -6.283 4.757 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.298 -7.665 4.848 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.255 -6.026 3.389 1.00 9.17 C ATOM 0 H THR A 7 -4.744 -7.341 6.306 1.00 7.41 H new ATOM 0 HA THR A 7 -5.950 -4.683 5.633 1.00 7.48 H new ATOM 0 HB THR A 7 -7.863 -5.729 4.851 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.842 -7.910 4.071 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.882 -6.428 2.593 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.126 -4.954 3.243 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.281 -6.515 3.366 1.00 9.17 H new ATOM 128 N LEU A 8 -7.881 -5.200 7.447 1.00 9.84 N ATOM 129 CA LEU A 8 -8.546 -5.120 8.715 1.00 14.15 C ATOM 130 C LEU A 8 -9.006 -6.444 9.155 1.00 17.37 C ATOM 131 O LEU A 8 -8.986 -6.780 10.336 1.00 17.01 O ATOM 132 CB LEU A 8 -9.754 -4.134 8.623 1.00 16.63 C ATOM 133 CG LEU A 8 -10.603 -3.940 9.872 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.694 -3.675 11.119 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.594 -2.806 9.675 1.00 18.59 C ATOM 0 H LEU A 8 -8.358 -4.646 6.736 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.834 -4.747 9.451 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.370 -3.159 8.323 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.408 -4.478 7.822 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.167 -4.856 10.050 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.318 -3.539 12.002 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.029 -4.525 11.272 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.100 -2.776 10.952 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.191 -2.683 10.579 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.054 -1.882 9.469 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.250 -3.037 8.836 1.00 18.59 H new ATOM 147 N THR A 9 -9.333 -7.352 8.208 1.00 18.33 N ATOM 148 CA THR A 9 -9.950 -8.622 8.379 1.00 19.24 C ATOM 149 C THR A 9 -8.888 -9.649 8.362 1.00 19.48 C ATOM 150 O THR A 9 -9.167 -10.837 8.154 1.00 23.14 O ATOM 151 CB THR A 9 -10.923 -8.932 7.234 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.215 -8.815 5.987 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.062 -7.985 7.328 1.00 19.70 C ATOM 0 H THR A 9 -9.140 -7.165 7.224 1.00 18.33 H new ATOM 0 HA THR A 9 -10.504 -8.617 9.318 1.00 19.24 H new ATOM 0 HB THR A 9 -11.318 -9.946 7.297 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.824 -9.012 5.245 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.769 -8.185 6.523 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.561 -8.110 8.289 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.693 -6.963 7.241 1.00 19.70 H new ATOM 161 N GLY A 10 -7.611 -9.275 8.465 1.00 19.43 N ATOM 162 CA GLY A 10 -6.507 -10.250 8.774 1.00 18.74 C ATOM 163 C GLY A 10 -5.689 -10.650 7.591 1.00 17.62 C ATOM 164 O GLY A 10 -4.673 -11.317 7.798 1.00 19.74 O ATOM 0 H GLY A 10 -7.294 -8.313 8.343 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.849 -9.810 9.523 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.943 -11.145 9.219 1.00 18.74 H new ATOM 168 N LYS A 11 -6.072 -10.242 6.377 1.00 13.56 N ATOM 169 CA LYS A 11 -5.570 -10.834 5.151 1.00 11.91 C ATOM 170 C LYS A 11 -4.082 -10.411 4.879 1.00 10.18 C ATOM 171 O LYS A 11 -3.805 -9.236 4.821 1.00 9.10 O ATOM 172 CB LYS A 11 -6.401 -10.613 3.916 1.00 13.43 C ATOM 173 CG LYS A 11 -6.112 -11.705 2.854 1.00 16.69 C ATOM 174 CD LYS A 11 -7.058 -11.555 1.587 1.00 17.92 C ATOM 175 CE LYS A 11 -8.543 -11.655 1.921 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.394 -11.589 0.667 1.00 21.93 N ATOM 0 H LYS A 11 -6.742 -9.488 6.226 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.634 -11.905 5.345 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.459 -10.625 4.177 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.187 -9.629 3.500 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.070 -11.641 2.540 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.251 -12.691 3.298 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.865 -10.594 1.111 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.804 -12.327 0.861 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.738 -12.590 2.447 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.822 -10.846 2.596 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.378 -11.828 0.903 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.356 -10.628 0.272 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.032 -12.266 -0.034 1.00 21.93 H new ATOM 190 N THR A 12 -3.113 -11.357 4.725 1.00 9.63 N ATOM 191 CA THR A 12 -1.753 -11.030 4.434 1.00 9.85 C ATOM 192 C THR A 12 -1.584 -11.109 2.943 1.00 11.66 C ATOM 193 O THR A 12 -1.577 -12.245 2.459 1.00 12.33 O ATOM 194 CB THR A 12 -0.746 -11.996 5.100 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.998 -12.088 6.506 1.00 10.91 O ATOM 196 CG2 THR A 12 0.695 -11.468 4.989 1.00 9.63 C ATOM 0 H THR A 12 -3.289 -12.358 4.806 1.00 9.63 H new ATOM 0 HA THR A 12 -1.546 -10.035 4.827 1.00 9.85 H new ATOM 0 HB THR A 12 -0.862 -12.953 4.592 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.354 -12.704 6.914 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.378 -12.170 5.467 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.963 -11.360 3.938 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.767 -10.499 5.483 1.00 9.63 H new ATOM 204 N ILE A 13 -1.424 -9.954 2.255 1.00 10.42 N ATOM 205 CA ILE A 13 -1.211 -9.846 0.836 1.00 11.84 C ATOM 206 C ILE A 13 0.306 -9.629 0.604 1.00 10.55 C ATOM 207 O ILE A 13 0.949 -8.775 1.190 1.00 11.92 O ATOM 208 CB ILE A 13 -1.941 -8.665 0.229 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.416 -8.517 0.743 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.865 -8.702 -1.310 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.183 -7.213 0.256 1.00 16.46 C ATOM 0 H ILE A 13 -1.445 -9.045 2.717 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.587 -10.755 0.367 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.424 -7.768 0.571 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.983 -9.391 0.424 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.405 -8.525 1.833 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.397 -7.844 -1.721 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.822 -8.667 -1.624 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.323 -9.621 -1.675 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.192 -7.209 0.668 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.648 -6.327 0.598 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.235 -7.207 -0.833 1.00 16.46 H new ATOM 223 N THR A 14 0.926 -10.454 -0.270 1.00 9.39 N ATOM 224 CA THR A 14 2.354 -10.538 -0.567 1.00 9.63 C ATOM 225 C THR A 14 2.512 -9.873 -1.920 1.00 11.20 C ATOM 226 O THR A 14 1.863 -10.273 -2.866 1.00 11.63 O ATOM 227 CB THR A 14 2.812 -11.967 -0.608 1.00 10.38 C ATOM 228 OG1 THR A 14 2.696 -12.513 0.679 1.00 16.30 O ATOM 229 CG2 THR A 14 4.350 -11.957 -0.917 1.00 11.66 C ATOM 0 H THR A 14 0.391 -11.124 -0.822 1.00 9.39 H new ATOM 0 HA THR A 14 2.960 -10.052 0.197 1.00 9.63 H new ATOM 0 HB THR A 14 2.231 -12.525 -1.342 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.368 -12.110 1.267 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.720 -12.982 -0.955 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.525 -11.472 -1.877 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.875 -11.410 -0.134 1.00 11.66 H new ATOM 237 N LEU A 15 3.367 -8.857 -2.040 1.00 8.29 N ATOM 238 CA LEU A 15 3.422 -8.116 -3.258 1.00 9.03 C ATOM 239 C LEU A 15 4.840 -7.913 -3.704 1.00 8.59 C ATOM 240 O LEU A 15 5.741 -7.642 -2.884 1.00 7.79 O ATOM 241 CB LEU A 15 2.761 -6.722 -3.123 1.00 11.08 C ATOM 242 CG LEU A 15 1.286 -6.724 -2.722 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.995 -5.268 -2.353 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.372 -7.122 -3.906 1.00 15.27 C ATOM 0 H LEU A 15 4.012 -8.548 -1.312 1.00 8.29 H new ATOM 0 HA LEU A 15 2.874 -8.705 -3.993 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.319 -6.146 -2.385 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.859 -6.200 -4.075 1.00 11.08 H new ATOM 0 HG LEU A 15 1.098 -7.436 -1.918 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.048 -5.171 -2.050 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.642 -4.965 -1.530 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.183 -4.629 -3.216 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.669 -7.112 -3.582 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.504 -6.412 -4.723 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.636 -8.123 -4.249 1.00 15.27 H new ATOM 256 N GLU A 16 5.149 -8.107 -4.975 1.00 11.04 N ATOM 257 CA GLU A 16 6.417 -7.812 -5.575 1.00 11.50 C ATOM 258 C GLU A 16 6.487 -6.366 -6.000 1.00 10.13 C ATOM 259 O GLU A 16 5.749 -5.923 -6.898 1.00 9.83 O ATOM 260 CB GLU A 16 6.576 -8.884 -6.697 1.00 17.22 C ATOM 261 CG GLU A 16 7.841 -8.806 -7.588 1.00 23.33 C ATOM 262 CD GLU A 16 9.092 -8.908 -6.849 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.175 -9.940 -6.178 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.071 -8.089 -6.992 1.00 28.90 O ATOM 0 H GLU A 16 4.481 -8.495 -5.641 1.00 11.04 H new ATOM 0 HA GLU A 16 7.270 -7.888 -4.900 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.556 -9.868 -6.228 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.703 -8.823 -7.347 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.802 -9.605 -8.328 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.830 -7.864 -8.136 1.00 23.33 H new ATOM 271 N VAL A 17 7.392 -5.599 -5.429 1.00 8.99 N ATOM 272 CA VAL A 17 7.439 -4.173 -5.604 1.00 8.85 C ATOM 273 C VAL A 17 8.851 -3.682 -5.799 1.00 8.04 C ATOM 274 O VAL A 17 9.858 -4.407 -5.595 1.00 8.99 O ATOM 275 CB VAL A 17 6.785 -3.432 -4.405 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.268 -3.738 -4.334 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.529 -3.797 -3.172 1.00 10.54 C ATOM 0 H VAL A 17 8.126 -5.961 -4.820 1.00 8.99 H new ATOM 0 HA VAL A 17 6.869 -3.949 -6.506 1.00 8.85 H new ATOM 0 HB VAL A 17 6.853 -2.351 -4.527 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.829 -3.209 -3.488 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.787 -3.410 -5.255 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.119 -4.810 -4.209 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.087 -3.288 -2.316 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.475 -4.875 -3.020 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.572 -3.497 -3.274 1.00 10.54 H new ATOM 287 N GLU A 18 9.059 -2.424 -6.323 1.00 7.29 N ATOM 288 CA GLU A 18 10.363 -1.793 -6.370 1.00 7.08 C ATOM 289 C GLU A 18 10.389 -0.642 -5.424 1.00 6.45 C ATOM 290 O GLU A 18 9.316 -0.116 -5.181 1.00 5.28 O ATOM 291 CB GLU A 18 10.689 -1.289 -7.834 1.00 10.28 C ATOM 292 CG GLU A 18 10.739 -2.391 -8.911 1.00 12.65 C ATOM 293 CD GLU A 18 11.935 -3.321 -8.549 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.070 -2.803 -8.465 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.700 -4.553 -8.305 1.00 14.33 O ATOM 0 H GLU A 18 8.311 -1.851 -6.713 1.00 7.29 H new ATOM 0 HA GLU A 18 11.118 -2.525 -6.082 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.938 -0.554 -8.124 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.650 -0.774 -7.819 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.805 -2.953 -8.933 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.873 -1.957 -9.902 1.00 12.65 H new ATOM 302 N PRO A 19 11.509 -0.169 -4.945 1.00 7.24 N ATOM 303 CA PRO A 19 11.596 1.080 -4.100 1.00 7.07 C ATOM 304 C PRO A 19 11.451 2.369 -4.874 1.00 6.65 C ATOM 305 O PRO A 19 11.062 3.291 -4.298 1.00 6.37 O ATOM 306 CB PRO A 19 12.878 0.969 -3.362 1.00 7.61 C ATOM 307 CG PRO A 19 13.765 0.245 -4.274 1.00 8.16 C ATOM 308 CD PRO A 19 12.844 -0.736 -4.963 1.00 7.49 C ATOM 0 HA PRO A 19 10.749 1.138 -3.416 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.280 1.952 -3.114 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.750 0.431 -2.423 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.241 0.917 -4.988 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.564 -0.265 -3.735 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.171 -0.914 -5.987 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.858 -1.699 -4.452 1.00 7.49 H new ATOM 316 N SER A 20 11.776 2.354 -6.199 1.00 6.80 N ATOM 317 CA SER A 20 11.738 3.475 -7.125 1.00 6.28 C ATOM 318 C SER A 20 10.342 3.675 -7.833 1.00 8.45 C ATOM 319 O SER A 20 10.162 4.532 -8.681 1.00 7.26 O ATOM 320 CB SER A 20 12.878 3.314 -8.138 1.00 8.57 C ATOM 321 OG SER A 20 14.145 3.016 -7.527 1.00 11.13 O ATOM 0 H SER A 20 12.088 1.497 -6.655 1.00 6.80 H new ATOM 0 HA SER A 20 11.879 4.389 -6.548 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.623 2.517 -8.837 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.970 4.231 -8.720 1.00 8.57 H new ATOM 0 HG SER A 20 14.830 2.923 -8.222 1.00 11.13 H new ATOM 327 N ASP A 21 9.326 2.865 -7.506 1.00 7.50 N ATOM 328 CA ASP A 21 7.987 2.859 -7.957 1.00 7.70 C ATOM 329 C ASP A 21 7.037 3.515 -6.976 1.00 7.08 C ATOM 330 O ASP A 21 7.280 3.676 -5.752 1.00 8.11 O ATOM 331 CB ASP A 21 7.468 1.432 -8.343 1.00 11.00 C ATOM 332 CG ASP A 21 6.583 1.359 -9.564 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.127 2.382 -10.146 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.230 0.197 -9.908 1.00 18.03 O ATOM 0 H ASP A 21 9.477 2.115 -6.831 1.00 7.50 H new ATOM 0 HA ASP A 21 8.000 3.458 -8.868 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.330 0.785 -8.504 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.918 1.025 -7.495 1.00 11.00 H new ATOM 339 N THR A 22 5.866 4.004 -7.467 1.00 5.37 N ATOM 340 CA THR A 22 4.918 4.765 -6.590 1.00 6.01 C ATOM 341 C THR A 22 3.957 3.818 -5.770 1.00 8.01 C ATOM 342 O THR A 22 3.741 2.654 -6.082 1.00 8.11 O ATOM 343 CB THR A 22 4.123 5.788 -7.393 1.00 8.92 C ATOM 344 OG1 THR A 22 3.271 5.175 -8.401 1.00 10.22 O ATOM 345 CG2 THR A 22 5.010 6.748 -8.138 1.00 9.65 C ATOM 0 H THR A 22 5.557 3.893 -8.433 1.00 5.37 H new ATOM 0 HA THR A 22 5.529 5.300 -5.863 1.00 6.01 H new ATOM 0 HB THR A 22 3.526 6.304 -6.642 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.783 5.873 -8.886 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.395 7.456 -8.694 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.636 7.290 -7.429 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.643 6.195 -8.832 1.00 9.65 H new ATOM 353 N ILE A 23 3.368 4.373 -4.689 1.00 8.32 N ATOM 354 CA ILE A 23 2.302 3.839 -3.823 1.00 9.92 C ATOM 355 C ILE A 23 1.133 3.587 -4.712 1.00 10.01 C ATOM 356 O ILE A 23 0.537 2.557 -4.579 1.00 8.71 O ATOM 357 CB ILE A 23 1.955 4.743 -2.690 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.188 5.010 -1.697 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.672 4.218 -1.987 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.664 3.748 -1.026 1.00 12.30 C ATOM 0 H ILE A 23 3.658 5.298 -4.372 1.00 8.32 H new ATOM 0 HA ILE A 23 2.639 2.923 -3.337 1.00 9.92 H new ATOM 0 HB ILE A 23 1.732 5.734 -3.086 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.012 5.455 -2.255 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.890 5.733 -0.937 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.416 4.877 -1.158 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.151 4.196 -2.701 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.850 3.212 -1.608 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.499 3.980 -0.365 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.850 3.316 -0.445 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.988 3.034 -1.783 1.00 12.30 H new ATOM 372 N GLU A 24 0.863 4.493 -5.670 1.00 9.54 N ATOM 373 CA GLU A 24 -0.136 4.275 -6.639 1.00 11.81 C ATOM 374 C GLU A 24 0.088 3.044 -7.496 1.00 11.14 C ATOM 375 O GLU A 24 -0.893 2.342 -7.863 1.00 10.62 O ATOM 376 CB GLU A 24 -0.307 5.434 -7.621 1.00 19.24 C ATOM 377 CG GLU A 24 -1.681 5.410 -8.342 1.00 27.76 C ATOM 378 CD GLU A 24 -1.810 6.526 -9.290 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.801 7.163 -9.529 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.926 6.871 -9.694 1.00 34.80 O ATOM 0 H GLU A 24 1.351 5.384 -5.763 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.025 4.154 -6.019 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.199 6.377 -7.086 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.489 5.396 -8.364 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.799 4.465 -8.872 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.482 5.463 -7.604 1.00 27.76 H new ATOM 387 N ASN A 25 1.389 2.717 -7.769 1.00 9.43 N ATOM 388 CA ASN A 25 1.665 1.490 -8.519 1.00 10.96 C ATOM 389 C ASN A 25 1.438 0.216 -7.749 1.00 9.68 C ATOM 390 O ASN A 25 1.033 -0.794 -8.236 1.00 9.33 O ATOM 391 CB ASN A 25 3.144 1.388 -9.018 1.00 16.78 C ATOM 392 CG ASN A 25 3.093 2.001 -10.446 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.012 1.374 -11.511 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.380 3.373 -10.605 1.00 24.70 N ATOM 0 H ASN A 25 2.206 3.261 -7.492 1.00 9.43 H new ATOM 0 HA ASN A 25 0.956 1.576 -9.343 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.825 1.939 -8.369 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.490 0.354 -9.038 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.501 3.764 -11.539 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.467 3.974 -9.786 1.00 24.70 H new ATOM 401 N VAL A 26 1.766 0.298 -6.448 1.00 6.52 N ATOM 402 CA VAL A 26 1.486 -0.710 -5.468 1.00 5.53 C ATOM 403 C VAL A 26 -0.041 -0.913 -5.246 1.00 4.42 C ATOM 404 O VAL A 26 -0.544 -1.991 -5.129 1.00 3.40 O ATOM 405 CB VAL A 26 2.278 -0.575 -4.183 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.045 -1.834 -3.234 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.759 -0.461 -4.561 1.00 8.12 C ATOM 0 H VAL A 26 2.251 1.106 -6.058 1.00 6.52 H new ATOM 0 HA VAL A 26 1.856 -1.640 -5.899 1.00 5.53 H new ATOM 0 HB VAL A 26 1.951 0.309 -3.635 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.625 -1.712 -2.319 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.987 -1.911 -2.986 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.364 -2.741 -3.748 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.359 -0.362 -3.656 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.066 -1.355 -5.104 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.907 0.415 -5.192 1.00 8.12 H new ATOM 417 N LYS A 27 -0.849 0.183 -5.301 1.00 2.64 N ATOM 418 CA LYS A 27 -2.312 0.100 -5.118 1.00 4.14 C ATOM 419 C LYS A 27 -2.958 -0.683 -6.202 1.00 5.58 C ATOM 420 O LYS A 27 -3.916 -1.460 -5.951 1.00 4.11 O ATOM 421 CB LYS A 27 -2.908 1.505 -4.957 1.00 3.97 C ATOM 422 CG LYS A 27 -2.623 2.237 -3.616 1.00 7.45 C ATOM 423 CD LYS A 27 -3.373 3.588 -3.546 1.00 9.02 C ATOM 424 CE LYS A 27 -3.553 4.213 -2.136 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.377 5.392 -2.267 1.00 15.47 N ATOM 0 H LYS A 27 -0.505 1.128 -5.471 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.518 -0.446 -4.197 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.535 2.128 -5.770 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.988 1.432 -5.081 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.928 1.605 -2.782 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.551 2.407 -3.512 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.841 4.305 -4.171 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.361 3.452 -3.987 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.019 3.497 -1.459 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.584 4.472 -1.708 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.903 6.199 -1.813 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.527 5.600 -3.275 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.295 5.227 -1.807 1.00 15.47 H new ATOM 439 N ALA A 28 -2.433 -0.591 -7.456 1.00 6.61 N ATOM 440 CA ALA A 28 -2.867 -1.359 -8.594 1.00 7.74 C ATOM 441 C ALA A 28 -2.649 -2.803 -8.465 1.00 9.17 C ATOM 442 O ALA A 28 -3.467 -3.583 -8.885 1.00 11.45 O ATOM 443 CB ALA A 28 -2.030 -0.770 -9.789 1.00 7.68 C ATOM 0 H ALA A 28 -1.672 0.050 -7.680 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.946 -1.274 -8.725 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.291 -1.294 -10.709 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.252 0.291 -9.900 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.967 -0.899 -9.587 1.00 7.68 H new ATOM 449 N LYS A 29 -1.561 -3.218 -7.819 1.00 8.96 N ATOM 450 CA LYS A 29 -1.130 -4.562 -7.533 1.00 7.90 C ATOM 451 C LYS A 29 -2.096 -5.193 -6.494 1.00 6.92 C ATOM 452 O LYS A 29 -2.503 -6.320 -6.593 1.00 6.87 O ATOM 453 CB LYS A 29 0.277 -4.541 -7.032 1.00 10.28 C ATOM 454 CG LYS A 29 1.315 -4.220 -8.148 1.00 14.94 C ATOM 455 CD LYS A 29 2.651 -4.127 -7.448 1.00 19.69 C ATOM 456 CE LYS A 29 3.635 -3.246 -8.183 1.00 22.63 C ATOM 457 NZ LYS A 29 4.225 -3.811 -9.359 1.00 24.98 N ATOM 0 H LYS A 29 -0.897 -2.538 -7.449 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.153 -5.169 -8.438 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.363 -3.799 -6.239 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.514 -5.509 -6.590 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.325 -5.000 -8.909 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.071 -3.285 -8.653 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.502 -3.737 -6.441 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.072 -5.127 -7.344 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.128 -2.323 -8.463 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.435 -2.974 -7.494 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.881 -3.124 -9.782 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.745 -4.676 -9.106 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.478 -4.044 -10.044 1.00 24.98 H new ATOM 471 N ILE A 30 -2.454 -4.424 -5.420 1.00 4.57 N ATOM 472 CA ILE A 30 -3.452 -4.668 -4.438 1.00 5.58 C ATOM 473 C ILE A 30 -4.854 -4.809 -5.054 1.00 7.26 C ATOM 474 O ILE A 30 -5.605 -5.739 -4.782 1.00 9.46 O ATOM 475 CB ILE A 30 -3.459 -3.592 -3.349 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.115 -3.463 -2.532 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.453 -4.040 -2.253 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.883 -2.095 -1.834 1.00 2.00 C ATOM 0 H ILE A 30 -1.977 -3.540 -5.242 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.192 -5.620 -3.976 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.677 -2.662 -3.875 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.095 -4.246 -1.774 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.281 -3.652 -3.207 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.481 -3.293 -1.460 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.448 -4.148 -2.686 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.132 -4.996 -1.839 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.932 -2.115 -1.302 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.863 -1.303 -2.583 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.691 -1.906 -1.127 1.00 2.00 H new ATOM 490 N GLN A 31 -5.176 -3.975 -6.084 1.00 7.06 N ATOM 491 CA GLN A 31 -6.436 -3.952 -6.817 1.00 8.67 C ATOM 492 C GLN A 31 -6.650 -5.258 -7.516 1.00 10.90 C ATOM 493 O GLN A 31 -7.706 -5.870 -7.490 1.00 9.63 O ATOM 494 CB GLN A 31 -6.431 -2.752 -7.845 1.00 9.12 C ATOM 495 CG GLN A 31 -7.872 -2.344 -8.411 1.00 10.76 C ATOM 496 CD GLN A 31 -7.870 -1.290 -9.591 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.796 -0.745 -10.036 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.092 -0.922 -10.102 1.00 14.76 N ATOM 0 H GLN A 31 -4.519 -3.274 -6.427 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.260 -3.805 -6.118 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.986 -1.881 -7.363 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.788 -3.015 -8.685 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.376 -3.247 -8.755 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.465 -1.942 -7.589 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.944 -1.356 -9.748 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.146 -0.215 -10.836 1.00 14.76 H new ATOM 507 N ASP A 32 -5.539 -5.825 -8.137 1.00 10.93 N ATOM 508 CA ASP A 32 -5.608 -7.184 -8.798 1.00 14.01 C ATOM 509 C ASP A 32 -5.975 -8.329 -7.812 1.00 14.04 C ATOM 510 O ASP A 32 -6.710 -9.236 -8.138 1.00 13.39 O ATOM 511 CB ASP A 32 -4.243 -7.506 -9.462 1.00 18.01 C ATOM 512 CG ASP A 32 -4.234 -8.765 -10.296 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.675 -8.691 -11.478 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.671 -9.809 -9.885 1.00 26.29 O ATOM 0 H ASP A 32 -4.624 -5.377 -8.189 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.404 -7.131 -9.541 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.953 -6.666 -10.092 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.486 -7.596 -8.683 1.00 18.01 H new ATOM 519 N LYS A 33 -5.353 -8.305 -6.584 1.00 14.22 N ATOM 520 CA LYS A 33 -5.470 -9.293 -5.561 1.00 14.00 C ATOM 521 C LYS A 33 -6.865 -9.295 -4.905 1.00 12.37 C ATOM 522 O LYS A 33 -7.520 -10.304 -4.736 1.00 12.17 O ATOM 523 CB LYS A 33 -4.341 -8.974 -4.542 1.00 18.62 C ATOM 524 CG LYS A 33 -2.965 -9.328 -4.984 1.00 24.00 C ATOM 525 CD LYS A 33 -2.733 -10.880 -4.985 1.00 27.61 C ATOM 526 CE LYS A 33 -1.229 -11.351 -5.226 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.132 -12.762 -5.449 1.00 30.06 N ATOM 0 H LYS A 33 -4.736 -7.539 -6.312 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.362 -10.298 -5.969 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.369 -7.908 -4.316 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.553 -9.503 -3.613 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.793 -8.934 -5.986 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.238 -8.853 -4.325 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.072 -11.281 -4.030 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.362 -11.323 -5.757 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.817 -10.820 -6.084 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.622 -11.079 -4.362 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.136 -13.022 -5.601 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.500 -13.271 -4.620 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.689 -13.020 -6.289 1.00 30.06 H new ATOM 541 N GLU A 34 -7.390 -8.081 -4.562 1.00 10.11 N ATOM 542 CA GLU A 34 -8.512 -7.921 -3.632 1.00 10.07 C ATOM 543 C GLU A 34 -9.746 -7.157 -4.185 1.00 9.32 C ATOM 544 O GLU A 34 -10.796 -7.106 -3.550 1.00 11.61 O ATOM 545 CB GLU A 34 -8.075 -7.162 -2.378 1.00 14.77 C ATOM 546 CG GLU A 34 -7.088 -7.848 -1.456 1.00 18.75 C ATOM 547 CD GLU A 34 -7.610 -9.155 -0.933 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.561 -9.060 -0.108 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.053 -10.223 -1.245 1.00 25.19 O ATOM 0 H GLU A 34 -7.037 -7.198 -4.931 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.812 -8.950 -3.432 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.639 -6.214 -2.693 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.968 -6.925 -1.799 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.154 -8.020 -1.991 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.859 -7.190 -0.618 1.00 18.75 H new ATOM 556 N GLY A 35 -9.624 -6.466 -5.331 1.00 7.22 N ATOM 557 CA GLY A 35 -10.731 -5.677 -5.945 1.00 6.29 C ATOM 558 C GLY A 35 -10.923 -4.321 -5.346 1.00 6.93 C ATOM 559 O GLY A 35 -11.748 -3.586 -5.855 1.00 7.41 O ATOM 0 H GLY A 35 -8.757 -6.432 -5.867 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.535 -5.566 -7.011 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.660 -6.239 -5.848 1.00 6.29 H new ATOM 563 N ILE A 36 -10.163 -3.877 -4.258 1.00 5.86 N ATOM 564 CA ILE A 36 -10.358 -2.516 -3.699 1.00 6.07 C ATOM 565 C ILE A 36 -9.803 -1.431 -4.624 1.00 6.36 C ATOM 566 O ILE A 36 -8.595 -1.454 -4.805 1.00 6.18 O ATOM 567 CB ILE A 36 -9.802 -2.418 -2.260 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.315 -3.574 -1.387 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.310 -1.045 -1.707 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.690 -3.606 0.033 1.00 9.49 C ATOM 0 H ILE A 36 -9.449 -4.434 -3.789 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.431 -2.334 -3.636 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.714 -2.484 -2.250 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.398 -3.496 -1.296 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.104 -4.518 -1.889 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.952 -0.909 -0.687 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.933 -0.238 -2.335 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.400 -1.031 -1.714 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.099 -4.448 0.592 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.609 -3.715 -0.048 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.923 -2.677 0.554 1.00 9.49 H new ATOM 582 N PRO A 37 -10.570 -0.493 -5.237 1.00 8.65 N ATOM 583 CA PRO A 37 -10.031 0.672 -6.009 1.00 9.18 C ATOM 584 C PRO A 37 -8.934 1.504 -5.407 1.00 9.85 C ATOM 585 O PRO A 37 -9.218 1.964 -4.315 1.00 8.51 O ATOM 586 CB PRO A 37 -11.305 1.444 -6.425 1.00 11.42 C ATOM 587 CG PRO A 37 -12.515 0.576 -6.094 1.00 9.27 C ATOM 588 CD PRO A 37 -12.030 -0.303 -4.956 1.00 8.33 C ATOM 0 HA PRO A 37 -9.440 0.314 -6.852 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.363 2.395 -5.896 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.281 1.672 -7.491 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.371 1.181 -5.795 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.828 -0.018 -6.953 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.191 0.173 -3.989 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.559 -1.256 -4.935 1.00 8.33 H new ATOM 596 N PRO A 38 -7.783 1.870 -5.964 1.00 8.71 N ATOM 597 CA PRO A 38 -6.744 2.715 -5.400 1.00 9.08 C ATOM 598 C PRO A 38 -7.220 4.070 -4.876 1.00 9.28 C ATOM 599 O PRO A 38 -6.643 4.529 -3.907 1.00 6.50 O ATOM 600 CB PRO A 38 -5.755 2.796 -6.592 1.00 10.31 C ATOM 601 CG PRO A 38 -5.810 1.494 -7.288 1.00 10.81 C ATOM 602 CD PRO A 38 -7.279 1.058 -7.076 1.00 12.00 C ATOM 0 HA PRO A 38 -6.307 2.314 -4.485 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.030 3.606 -7.267 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.744 3.003 -6.241 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.564 1.589 -8.346 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.109 0.777 -6.861 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.869 1.222 -7.978 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.341 -0.005 -6.843 1.00 12.00 H new ATOM 610 N ASP A 39 -8.268 4.670 -5.486 1.00 11.20 N ATOM 611 CA ASP A 39 -8.850 5.970 -4.983 1.00 14.96 C ATOM 612 C ASP A 39 -9.523 5.803 -3.625 1.00 13.99 C ATOM 613 O ASP A 39 -9.610 6.769 -2.944 1.00 13.75 O ATOM 614 CB ASP A 39 -9.966 6.526 -5.884 1.00 24.16 C ATOM 615 CG ASP A 39 -9.433 6.873 -7.207 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.447 7.676 -7.399 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.024 6.381 -8.215 1.00 34.22 O ATOM 0 H ASP A 39 -8.732 4.296 -6.314 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.990 6.639 -4.952 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.760 5.787 -5.988 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.410 7.408 -5.421 1.00 24.16 H new ATOM 622 N GLN A 40 -10.069 4.582 -3.373 1.00 11.60 N ATOM 623 CA GLN A 40 -10.806 4.228 -2.199 1.00 10.76 C ATOM 624 C GLN A 40 -9.946 3.499 -1.141 1.00 8.01 C ATOM 625 O GLN A 40 -10.252 3.459 0.031 1.00 8.96 O ATOM 626 CB GLN A 40 -11.956 3.241 -2.491 1.00 11.14 C ATOM 627 CG GLN A 40 -13.117 3.861 -3.290 1.00 14.85 C ATOM 628 CD GLN A 40 -13.604 5.140 -2.519 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.689 5.036 -1.298 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.912 6.244 -3.249 1.00 18.16 N ATOM 0 H GLN A 40 -9.985 3.807 -4.031 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.169 5.190 -1.837 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.560 2.389 -3.044 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.341 2.856 -1.547 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.791 4.123 -4.296 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.932 3.146 -3.396 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.807 6.230 -4.263 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.248 7.086 -2.782 1.00 18.16 H new ATOM 639 N GLN A 41 -8.803 2.945 -1.603 1.00 6.52 N ATOM 640 CA GLN A 41 -7.691 2.506 -0.771 1.00 3.87 C ATOM 641 C GLN A 41 -7.000 3.587 0.021 1.00 4.79 C ATOM 642 O GLN A 41 -6.724 4.671 -0.502 1.00 6.34 O ATOM 643 CB GLN A 41 -6.545 1.838 -1.538 1.00 4.20 C ATOM 644 CG GLN A 41 -6.919 0.429 -2.105 1.00 3.20 C ATOM 645 CD GLN A 41 -5.807 -0.172 -2.892 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.633 -0.141 -2.552 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.150 -0.860 -3.973 1.00 7.13 N ATOM 0 H GLN A 41 -8.637 2.792 -2.598 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.219 1.811 -0.119 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.243 2.485 -2.362 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.684 1.739 -0.877 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.179 -0.235 -1.281 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.803 0.516 -2.736 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.126 -0.894 -4.267 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.438 -1.355 -4.510 1.00 7.13 H new ATOM 656 N ARG A 42 -6.610 3.311 1.271 1.00 5.73 N ATOM 657 CA ARG A 42 -5.558 4.020 1.910 1.00 6.97 C ATOM 658 C ARG A 42 -4.525 3.048 2.445 1.00 7.15 C ATOM 659 O ARG A 42 -4.768 1.897 2.769 1.00 7.33 O ATOM 660 CB ARG A 42 -6.127 4.979 3.023 1.00 13.23 C ATOM 661 CG ARG A 42 -6.691 6.264 2.463 1.00 21.27 C ATOM 662 CD ARG A 42 -6.829 7.230 3.597 1.00 26.14 C ATOM 663 NE ARG A 42 -7.340 8.560 3.086 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.483 9.676 3.833 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.341 9.573 5.144 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.750 10.838 3.294 1.00 36.39 N ATOM 0 H ARG A 42 -7.033 2.583 1.847 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.055 4.656 1.181 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.907 4.459 3.579 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.333 5.215 3.732 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.033 6.668 1.694 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.658 6.085 1.993 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.515 6.831 4.344 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.866 7.366 4.089 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.596 8.618 2.100 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.129 8.668 5.565 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.443 10.398 5.734 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.856 10.919 2.283 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.852 11.663 3.885 1.00 36.39 H new ATOM 680 N LEU A 43 -3.257 3.454 2.542 1.00 4.65 N ATOM 681 CA LEU A 43 -2.174 2.609 2.971 1.00 3.51 C ATOM 682 C LEU A 43 -1.457 3.464 3.979 1.00 5.56 C ATOM 683 O LEU A 43 -1.235 4.654 3.901 1.00 4.19 O ATOM 684 CB LEU A 43 -1.183 2.201 1.843 1.00 3.74 C ATOM 685 CG LEU A 43 -1.783 1.190 0.870 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.937 1.126 -0.350 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.946 -0.203 1.441 1.00 6.41 C ATOM 0 H LEU A 43 -2.963 4.404 2.316 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.558 1.660 3.346 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.878 3.091 1.293 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.283 1.779 2.290 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.789 1.543 0.642 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.361 0.405 -1.049 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.901 2.109 -0.820 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.072 0.817 -0.077 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.378 -0.858 0.685 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.972 -0.589 1.742 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.605 -0.166 2.308 1.00 6.41 H new ATOM 699 N ILE A 44 -1.153 2.726 5.085 1.00 4.58 N ATOM 700 CA ILE A 44 -0.472 3.129 6.334 1.00 5.55 C ATOM 701 C ILE A 44 0.778 2.256 6.461 1.00 5.46 C ATOM 702 O ILE A 44 0.746 1.058 6.329 1.00 6.04 O ATOM 703 CB ILE A 44 -1.329 3.052 7.586 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.680 3.737 7.494 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.544 3.577 8.866 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.717 5.237 7.062 1.00 13.90 C ATOM 0 H ILE A 44 -1.407 1.739 5.119 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.226 4.188 6.260 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.543 1.988 7.688 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.293 3.173 6.791 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.160 3.659 8.469 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.189 3.507 9.742 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.347 2.969 9.021 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.252 4.616 8.713 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.750 5.585 7.043 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.146 5.835 7.773 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.281 5.340 6.068 1.00 13.90 H new ATOM 718 N PHE A 45 1.919 2.871 6.877 1.00 6.75 N ATOM 719 CA PHE A 45 3.165 2.188 7.160 1.00 4.70 C ATOM 720 C PHE A 45 3.618 2.613 8.505 1.00 6.34 C ATOM 721 O PHE A 45 3.843 3.796 8.677 1.00 5.45 O ATOM 722 CB PHE A 45 4.183 2.496 6.092 1.00 5.51 C ATOM 723 CG PHE A 45 5.595 1.959 6.297 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.754 0.561 6.637 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.722 2.828 6.395 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.035 0.038 6.838 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.976 2.311 6.665 1.00 6.64 C ATOM 728 CZ PHE A 45 8.171 0.918 6.845 1.00 6.84 C ATOM 0 H PHE A 45 1.975 3.879 7.021 1.00 6.75 H new ATOM 0 HA PHE A 45 3.029 1.107 7.156 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.808 2.106 5.146 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.246 3.579 5.988 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.887 -0.075 6.735 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.596 3.892 6.258 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.170 -1.023 6.987 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.821 2.979 6.740 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.166 0.522 6.986 1.00 6.84 H new ATOM 738 N ALA A 46 3.776 1.750 9.522 1.00 6.53 N ATOM 739 CA ALA A 46 4.323 2.114 10.809 1.00 7.15 C ATOM 740 C ALA A 46 3.564 3.246 11.535 1.00 9.00 C ATOM 741 O ALA A 46 4.137 4.097 12.206 1.00 11.15 O ATOM 742 CB ALA A 46 5.833 2.285 10.836 1.00 8.99 C ATOM 0 H ALA A 46 3.518 0.765 9.456 1.00 6.53 H new ATOM 0 HA ALA A 46 4.138 1.225 11.412 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.150 2.558 11.843 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.310 1.349 10.546 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.123 3.071 10.139 1.00 8.99 H new ATOM 748 N GLY A 47 2.266 3.278 11.321 1.00 9.35 N ATOM 749 CA GLY A 47 1.378 4.336 11.857 1.00 11.68 C ATOM 750 C GLY A 47 1.434 5.657 11.043 1.00 11.14 C ATOM 751 O GLY A 47 0.764 6.634 11.301 1.00 13.93 O ATOM 0 H GLY A 47 1.776 2.574 10.769 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.352 3.968 11.869 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.654 4.543 12.891 1.00 11.68 H new ATOM 755 N LYS A 48 2.266 5.750 9.991 1.00 10.47 N ATOM 756 CA LYS A 48 2.204 6.922 9.120 1.00 8.82 C ATOM 757 C LYS A 48 1.549 6.646 7.814 1.00 7.68 C ATOM 758 O LYS A 48 1.791 5.634 7.188 1.00 6.47 O ATOM 759 CB LYS A 48 3.618 7.499 8.862 1.00 9.74 C ATOM 760 CG LYS A 48 3.614 8.878 8.176 1.00 14.14 C ATOM 761 CD LYS A 48 5.059 9.454 7.926 1.00 16.32 C ATOM 762 CE LYS A 48 5.065 10.890 7.500 1.00 20.04 C ATOM 763 NZ LYS A 48 6.442 11.281 7.187 1.00 23.92 N ATOM 0 H LYS A 48 2.964 5.052 9.734 1.00 10.47 H new ATOM 0 HA LYS A 48 1.593 7.651 9.652 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.146 7.578 9.812 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.178 6.798 8.243 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.091 8.800 7.223 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.052 9.581 8.791 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.645 9.352 8.839 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.553 8.854 7.161 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.425 11.028 6.628 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.664 11.521 8.293 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.461 12.277 6.889 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.037 11.161 8.031 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.806 10.683 6.418 1.00 23.92 H new ATOM 777 N GLN A 49 0.749 7.592 7.386 1.00 8.89 N ATOM 778 CA GLN A 49 0.141 7.680 6.048 1.00 7.18 C ATOM 779 C GLN A 49 1.045 7.809 4.787 1.00 8.23 C ATOM 780 O GLN A 49 1.952 8.671 4.652 1.00 9.70 O ATOM 781 CB GLN A 49 -0.813 8.929 6.054 1.00 11.67 C ATOM 782 CG GLN A 49 -1.958 8.733 7.004 1.00 15.82 C ATOM 783 CD GLN A 49 -2.736 10.005 7.025 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.909 10.133 6.686 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.001 11.108 7.341 1.00 20.67 N ATOM 0 H GLN A 49 0.479 8.373 7.984 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.322 6.701 5.925 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.250 9.818 6.337 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.197 9.102 5.048 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.587 7.903 6.683 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.593 8.489 8.002 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.026 11.007 7.623 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.426 12.034 7.295 1.00 20.67 H new ATOM 794 N LEU A 50 0.711 6.940 3.781 1.00 6.51 N ATOM 795 CA LEU A 50 1.253 6.975 2.441 1.00 7.41 C ATOM 796 C LEU A 50 0.344 7.724 1.466 1.00 8.27 C ATOM 797 O LEU A 50 -0.846 7.643 1.556 1.00 8.34 O ATOM 798 CB LEU A 50 1.389 5.482 1.910 1.00 7.13 C ATOM 799 CG LEU A 50 2.145 4.607 2.940 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.391 3.182 2.523 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.586 5.185 3.258 1.00 9.11 C ATOM 0 H LEU A 50 0.036 6.187 3.915 1.00 6.51 H new ATOM 0 HA LEU A 50 2.213 7.489 2.490 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.399 5.064 1.725 1.00 7.13 H new ATOM 0 HB3 LEU A 50 1.921 5.475 0.958 1.00 7.13 H new ATOM 0 HG LEU A 50 1.470 4.627 3.796 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.926 2.658 3.315 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.437 2.687 2.340 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.988 3.168 1.611 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.083 4.543 3.985 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.175 5.220 2.341 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.492 6.191 3.667 1.00 9.11 H new ATOM 813 N GLU A 51 0.839 8.468 0.476 1.00 9.43 N ATOM 814 CA GLU A 51 0.088 9.160 -0.563 1.00 11.90 C ATOM 815 C GLU A 51 0.423 8.482 -1.803 1.00 11.49 C ATOM 816 O GLU A 51 1.539 7.974 -2.056 1.00 9.88 O ATOM 817 CB GLU A 51 0.393 10.601 -0.736 1.00 16.56 C ATOM 818 CG GLU A 51 0.311 11.424 0.581 1.00 26.06 C ATOM 819 CD GLU A 51 0.404 12.896 0.320 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.503 13.317 -0.091 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.556 13.652 0.456 1.00 32.13 O ATOM 0 H GLU A 51 1.844 8.610 0.375 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.964 9.127 -0.279 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.394 10.703 -1.155 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.301 11.025 -1.462 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.627 11.203 1.091 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.116 11.121 1.250 1.00 26.06 H new ATOM 828 N ASP A 52 -0.596 8.405 -2.655 1.00 12.71 N ATOM 829 CA ASP A 52 -0.574 7.750 -3.986 1.00 16.56 C ATOM 830 C ASP A 52 0.588 8.165 -4.854 1.00 15.83 C ATOM 831 O ASP A 52 1.308 7.277 -5.345 1.00 17.21 O ATOM 832 CB ASP A 52 -1.949 8.119 -4.695 1.00 21.05 C ATOM 833 CG ASP A 52 -3.112 7.696 -3.869 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.168 7.887 -2.627 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.932 6.897 -4.358 1.00 25.82 O ATOM 0 H ASP A 52 -1.506 8.812 -2.439 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.450 6.676 -3.846 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.995 9.194 -4.868 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.999 7.637 -5.671 1.00 21.05 H new ATOM 840 N GLY A 53 0.865 9.485 -5.089 1.00 15.00 N ATOM 841 CA GLY A 53 1.885 10.034 -5.989 1.00 11.77 C ATOM 842 C GLY A 53 3.291 10.107 -5.464 1.00 11.10 C ATOM 843 O GLY A 53 4.115 10.868 -6.037 1.00 11.25 O ATOM 0 H GLY A 53 0.341 10.223 -4.619 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.894 9.432 -6.898 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.578 11.040 -6.275 1.00 11.77 H new ATOM 847 N ARG A 54 3.615 9.334 -4.396 1.00 8.53 N ATOM 848 CA ARG A 54 4.885 9.192 -3.752 1.00 9.05 C ATOM 849 C ARG A 54 5.377 7.809 -4.010 1.00 8.96 C ATOM 850 O ARG A 54 4.595 6.893 -4.181 1.00 11.60 O ATOM 851 CB ARG A 54 4.854 9.325 -2.174 1.00 7.97 C ATOM 852 CG ARG A 54 4.240 10.619 -1.688 1.00 9.62 C ATOM 853 CD ARG A 54 4.946 11.960 -2.057 1.00 12.20 C ATOM 854 NE ARG A 54 4.169 13.021 -1.436 1.00 18.23 N ATOM 855 CZ ARG A 54 4.442 14.341 -1.433 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.563 14.862 -1.914 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.498 15.158 -0.882 1.00 23.38 N ATOM 0 H ARG A 54 2.908 8.753 -3.946 1.00 8.53 H new ATOM 0 HA ARG A 54 5.506 9.993 -4.153 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.294 8.488 -1.758 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.872 9.249 -1.791 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.220 10.666 -2.068 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.173 10.567 -0.601 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.974 11.969 -1.695 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.988 12.092 -3.138 1.00 12.20 H new ATOM 0 HE ARG A 54 3.321 12.734 -0.947 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.277 14.254 -2.315 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.711 15.871 -1.883 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.640 14.761 -0.500 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.651 16.166 -0.852 1.00 23.38 H new ATOM 871 N THR A 55 6.698 7.629 -3.898 1.00 9.05 N ATOM 872 CA THR A 55 7.414 6.371 -3.879 1.00 9.03 C ATOM 873 C THR A 55 7.590 5.768 -2.490 1.00 8.15 C ATOM 874 O THR A 55 7.629 6.349 -1.413 1.00 5.91 O ATOM 875 CB THR A 55 8.814 6.382 -4.553 1.00 11.15 C ATOM 876 OG1 THR A 55 9.687 7.210 -3.793 1.00 11.95 O ATOM 877 CG2 THR A 55 8.684 7.022 -5.910 1.00 11.71 C ATOM 0 H THR A 55 7.331 8.424 -3.813 1.00 9.05 H new ATOM 0 HA THR A 55 6.743 5.753 -4.476 1.00 9.03 H new ATOM 0 HB THR A 55 9.195 5.363 -4.621 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.567 6.784 -3.727 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.658 7.039 -6.399 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.983 6.449 -6.517 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.317 8.042 -5.797 1.00 11.71 H new ATOM 885 N LEU A 56 7.728 4.433 -2.554 1.00 6.91 N ATOM 886 CA LEU A 56 8.173 3.597 -1.469 1.00 8.29 C ATOM 887 C LEU A 56 9.556 4.020 -0.911 1.00 8.05 C ATOM 888 O LEU A 56 9.728 4.140 0.306 1.00 10.17 O ATOM 889 CB LEU A 56 8.262 2.170 -1.991 1.00 6.60 C ATOM 890 CG LEU A 56 6.879 1.474 -2.175 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.013 1.970 -3.342 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.082 -0.041 -2.143 1.00 8.64 C ATOM 0 H LEU A 56 7.521 3.905 -3.401 1.00 6.91 H new ATOM 0 HA LEU A 56 7.460 3.691 -0.650 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.784 2.176 -2.948 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.866 1.579 -1.302 1.00 6.60 H new ATOM 0 HG LEU A 56 6.259 1.775 -1.330 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.078 1.410 -3.365 1.00 9.85 H new ATOM 0 HD12 LEU A 56 5.798 3.030 -3.210 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.548 1.822 -4.280 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.121 -0.540 -2.271 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.754 -0.335 -2.950 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.516 -0.330 -1.186 1.00 8.64 H new ATOM 904 N SER A 57 10.528 4.459 -1.745 1.00 8.92 N ATOM 905 CA SER A 57 11.744 5.160 -1.263 1.00 9.00 C ATOM 906 C SER A 57 11.571 6.406 -0.394 1.00 9.44 C ATOM 907 O SER A 57 12.429 6.762 0.420 1.00 10.91 O ATOM 908 CB SER A 57 12.714 5.509 -2.383 1.00 10.32 C ATOM 909 OG SER A 57 12.338 6.543 -3.210 1.00 13.59 O ATOM 0 H SER A 57 10.494 4.340 -2.757 1.00 8.92 H new ATOM 0 HA SER A 57 12.141 4.391 -0.601 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.677 5.759 -1.937 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.867 4.619 -2.994 1.00 10.32 H new ATOM 0 HG SER A 57 13.029 6.685 -3.890 1.00 13.59 H new ATOM 915 N ASP A 58 10.462 7.148 -0.560 1.00 9.11 N ATOM 916 CA ASP A 58 10.160 8.303 0.161 1.00 7.91 C ATOM 917 C ASP A 58 10.072 8.069 1.658 1.00 9.12 C ATOM 918 O ASP A 58 10.622 8.801 2.474 1.00 8.61 O ATOM 919 CB ASP A 58 8.871 8.850 -0.375 1.00 8.41 C ATOM 920 CG ASP A 58 8.813 10.319 -0.271 1.00 11.50 C ATOM 921 OD1 ASP A 58 8.432 10.857 0.802 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.137 11.005 -1.272 1.00 10.05 O ATOM 0 H ASP A 58 9.745 6.910 -1.245 1.00 9.11 H new ATOM 0 HA ASP A 58 10.972 9.018 0.031 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.757 8.555 -1.418 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.036 8.414 0.173 1.00 8.41 H new ATOM 927 N TYR A 59 9.316 7.013 1.965 1.00 7.97 N ATOM 928 CA TYR A 59 9.067 6.522 3.293 1.00 8.45 C ATOM 929 C TYR A 59 10.021 5.399 3.648 1.00 10.98 C ATOM 930 O TYR A 59 9.962 4.827 4.731 1.00 12.95 O ATOM 931 CB TYR A 59 7.698 5.816 3.378 1.00 7.94 C ATOM 932 CG TYR A 59 6.583 6.723 2.833 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.023 7.622 3.748 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.129 6.777 1.499 1.00 6.98 C ATOM 935 CE1 TYR A 59 4.969 8.490 3.344 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.138 7.627 1.112 1.00 6.52 C ATOM 937 CZ TYR A 59 4.608 8.552 2.010 1.00 6.76 C ATOM 938 OH TYR A 59 3.591 9.449 1.655 1.00 7.63 O ATOM 0 H TYR A 59 8.845 6.460 1.249 1.00 7.97 H new ATOM 0 HA TYR A 59 9.153 7.395 3.940 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.727 4.886 2.810 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.484 5.551 4.413 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.391 7.657 4.763 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.580 6.126 0.764 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.454 9.096 4.075 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.760 7.584 0.101 1.00 6.52 H new ATOM 0 HH TYR A 59 3.961 10.354 1.588 1.00 7.63 H new ATOM 948 N ASN A 60 11.040 5.047 2.821 1.00 12.38 N ATOM 949 CA ASN A 60 11.952 3.904 3.131 1.00 13.94 C ATOM 950 C ASN A 60 11.280 2.593 3.388 1.00 14.16 C ATOM 951 O ASN A 60 11.523 1.860 4.387 1.00 14.26 O ATOM 952 CB ASN A 60 12.952 4.266 4.260 1.00 19.23 C ATOM 953 CG ASN A 60 13.722 5.555 4.061 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.367 6.509 4.744 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.773 5.570 3.160 1.00 24.09 N ATOM 0 H ASN A 60 11.252 5.527 1.947 1.00 12.38 H new ATOM 0 HA ASN A 60 12.506 3.742 2.206 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.404 4.332 5.200 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.666 3.449 4.365 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.318 6.422 3.026 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.002 4.729 2.630 1.00 24.09 H new ATOM 962 N ILE A 61 10.413 2.169 2.422 1.00 11.08 N ATOM 963 CA ILE A 61 9.686 0.914 2.590 1.00 11.78 C ATOM 964 C ILE A 61 10.570 -0.113 1.983 1.00 13.74 C ATOM 965 O ILE A 61 10.759 -0.133 0.746 1.00 14.60 O ATOM 966 CB ILE A 61 8.240 0.831 2.075 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.333 1.682 3.019 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.685 -0.673 1.932 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.055 2.348 2.404 1.00 11.42 C ATOM 0 H ILE A 61 10.218 2.670 1.555 1.00 11.08 H new ATOM 0 HA ILE A 61 9.497 0.773 3.654 1.00 11.78 H new ATOM 0 HB ILE A 61 8.222 1.231 1.061 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.014 1.042 3.842 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.948 2.472 3.450 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.659 -0.649 1.564 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.310 -1.226 1.231 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.710 -1.164 2.905 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.527 2.905 3.178 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.348 3.028 1.604 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.400 1.575 2.002 1.00 11.42 H new ATOM 981 N GLN A 62 11.139 -1.009 2.758 1.00 13.97 N ATOM 982 CA GLN A 62 12.207 -1.888 2.463 1.00 15.52 C ATOM 983 C GLN A 62 11.710 -3.279 2.251 1.00 13.94 C ATOM 984 O GLN A 62 10.490 -3.475 2.554 1.00 12.15 O ATOM 985 CB GLN A 62 13.122 -2.005 3.674 1.00 19.53 C ATOM 986 CG GLN A 62 13.647 -0.636 4.197 1.00 26.38 C ATOM 987 CD GLN A 62 14.595 -0.873 5.340 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.635 -1.508 5.110 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.261 -0.439 6.554 1.00 32.71 N ATOM 0 H GLN A 62 10.814 -1.139 3.716 1.00 13.97 H new ATOM 0 HA GLN A 62 12.706 -1.491 1.579 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.584 -2.509 4.477 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.973 -2.636 3.416 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.152 -0.097 3.396 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.813 -0.014 4.523 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.393 0.080 6.689 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.873 -0.625 7.348 1.00 32.71 H new ATOM 998 N LYS A 63 12.546 -4.227 1.846 1.00 11.73 N ATOM 999 CA LYS A 63 12.067 -5.615 1.741 1.00 11.97 C ATOM 1000 C LYS A 63 11.522 -6.238 3.012 1.00 10.41 C ATOM 1001 O LYS A 63 12.088 -6.049 4.059 1.00 9.59 O ATOM 1002 CB LYS A 63 13.237 -6.485 1.169 1.00 13.73 C ATOM 1003 CG LYS A 63 14.465 -6.814 2.144 1.00 16.98 C ATOM 1004 CD LYS A 63 15.655 -7.564 1.513 1.00 20.19 C ATOM 1005 CE LYS A 63 15.358 -8.727 0.514 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.673 -9.296 -0.039 1.00 25.97 N ATOM 0 H LYS A 63 13.523 -4.079 1.592 1.00 11.73 H new ATOM 0 HA LYS A 63 11.201 -5.587 1.080 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.816 -7.431 0.829 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.633 -5.978 0.290 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.833 -5.876 2.559 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.090 -7.407 2.978 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.271 -6.830 0.994 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.259 -7.970 2.325 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.795 -9.514 1.016 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.737 -8.364 -0.305 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.465 -10.069 -0.703 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.195 -8.545 -0.535 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.251 -9.659 0.745 1.00 25.97 H new ATOM 1020 N GLU A 64 10.411 -7.026 2.920 1.00 10.04 N ATOM 1021 CA GLU A 64 9.785 -7.897 3.964 1.00 10.94 C ATOM 1022 C GLU A 64 9.103 -7.038 5.060 1.00 9.74 C ATOM 1023 O GLU A 64 8.759 -7.509 6.171 1.00 9.42 O ATOM 1024 CB GLU A 64 10.683 -9.009 4.516 1.00 18.31 C ATOM 1025 CG GLU A 64 10.808 -10.287 3.655 1.00 24.16 C ATOM 1026 CD GLU A 64 11.800 -11.224 4.277 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.086 -11.187 5.533 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.276 -12.090 3.498 1.00 31.72 O ATOM 0 H GLU A 64 9.888 -7.073 2.046 1.00 10.04 H new ATOM 0 HA GLU A 64 9.006 -8.463 3.454 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.682 -8.599 4.664 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.307 -9.295 5.498 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.837 -10.775 3.569 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.124 -10.026 2.645 1.00 24.16 H new ATOM 1035 N SER A 65 8.856 -5.742 4.763 1.00 6.85 N ATOM 1036 CA SER A 65 8.107 -4.887 5.632 1.00 6.90 C ATOM 1037 C SER A 65 6.651 -5.264 5.632 1.00 4.72 C ATOM 1038 O SER A 65 6.110 -5.839 4.700 1.00 3.91 O ATOM 1039 CB SER A 65 8.226 -3.403 5.132 1.00 7.28 C ATOM 1040 OG SER A 65 9.534 -2.921 4.992 1.00 10.56 O ATOM 0 H SER A 65 9.181 -5.287 3.910 1.00 6.85 H new ATOM 0 HA SER A 65 8.509 -4.992 6.640 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.721 -3.320 4.170 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.692 -2.758 5.830 1.00 7.28 H new ATOM 0 HG SER A 65 9.753 -2.840 4.040 1.00 10.56 H new ATOM 1046 N THR A 66 5.955 -4.846 6.742 1.00 4.48 N ATOM 1047 CA THR A 66 4.481 -4.938 6.926 1.00 3.80 C ATOM 1048 C THR A 66 3.809 -3.613 6.867 1.00 4.60 C ATOM 1049 O THR A 66 4.199 -2.641 7.516 1.00 5.33 O ATOM 1050 CB THR A 66 4.030 -5.600 8.270 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.595 -6.897 8.462 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.537 -5.883 8.268 1.00 3.40 C ATOM 0 H THR A 66 6.423 -4.428 7.546 1.00 4.48 H new ATOM 0 HA THR A 66 4.181 -5.573 6.092 1.00 3.80 H new ATOM 0 HB THR A 66 4.345 -4.891 9.036 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.284 -7.266 9.315 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.253 -6.343 9.214 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.990 -4.949 8.139 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.296 -6.560 7.449 1.00 3.40 H new ATOM 1060 N LEU A 67 2.841 -3.525 5.995 1.00 4.17 N ATOM 1061 CA LEU A 67 2.034 -2.365 5.696 1.00 3.85 C ATOM 1062 C LEU A 67 0.633 -2.631 6.158 1.00 3.80 C ATOM 1063 O LEU A 67 0.293 -3.808 6.400 1.00 5.54 O ATOM 1064 CB LEU A 67 1.977 -2.037 4.203 1.00 7.18 C ATOM 1065 CG LEU A 67 3.139 -1.315 3.624 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.361 -2.214 3.476 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.762 -0.638 2.272 1.00 11.66 C ATOM 0 H LEU A 67 2.572 -4.328 5.427 1.00 4.17 H new ATOM 0 HA LEU A 67 2.491 -1.517 6.206 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.853 -2.971 3.656 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.083 -1.440 4.022 1.00 7.18 H new ATOM 0 HG LEU A 67 3.412 -0.529 4.328 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.184 -1.641 3.049 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.653 -2.595 4.455 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.121 -3.050 2.819 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.631 -0.117 1.871 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.436 -1.399 1.563 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.955 0.076 2.435 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.153 -1.604 6.300 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.556 -1.702 6.731 1.00 4.17 C ATOM 1081 C HIS A 68 -2.446 -1.043 5.659 1.00 5.32 C ATOM 1082 O HIS A 68 -2.147 0.065 5.186 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.869 -1.104 8.080 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.462 -2.099 9.241 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.145 -2.395 9.548 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.229 -2.847 10.046 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.203 -3.300 10.553 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.446 -3.561 10.913 1.00 16.30 N ATOM 0 H HIS A 68 0.150 -0.647 6.121 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.758 -2.767 6.844 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.335 -0.161 8.198 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.933 -0.877 8.145 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.308 -2.882 10.015 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.665 -3.755 11.007 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.757 -4.165 11.674 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.516 -1.759 5.287 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.500 -1.268 4.346 1.00 3.97 C ATOM 1098 C LEU A 69 -5.682 -0.757 5.143 1.00 5.07 C ATOM 1099 O LEU A 69 -6.185 -1.457 6.011 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.833 -2.333 3.328 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.633 -1.799 2.040 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.149 -2.439 0.759 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.141 -1.908 2.344 1.00 9.96 C ATOM 0 H LEU A 69 -3.713 -2.696 5.638 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.122 -0.435 3.754 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.907 -2.802 2.996 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.427 -3.108 3.813 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.429 -0.746 1.848 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.720 -2.046 -0.082 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.092 -2.214 0.617 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.286 -3.519 0.817 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.712 -1.552 1.486 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.398 -2.948 2.544 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.381 -1.301 3.217 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.200 0.414 4.842 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.384 0.975 5.443 1.00 6.26 C ATOM 1117 C VAL A 70 -8.121 1.612 4.332 1.00 9.22 C ATOM 1118 O VAL A 70 -7.605 1.738 3.252 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.041 1.988 6.553 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.096 1.339 7.594 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.334 3.232 6.094 1.00 8.54 C ATOM 0 H VAL A 70 -5.786 1.026 4.139 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.982 0.208 5.935 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.015 2.270 6.954 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.860 2.064 8.373 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.586 0.473 8.040 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.176 1.023 7.103 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.139 3.877 6.951 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.390 2.961 5.622 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.960 3.762 5.376 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.388 2.114 4.544 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.161 2.755 3.511 1.00 16.06 C ATOM 1133 C LEU A 71 -10.120 4.251 3.676 1.00 18.09 C ATOM 1134 O LEU A 71 -9.568 4.736 4.695 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.613 2.248 3.563 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.699 0.768 3.198 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.134 0.306 3.374 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.308 0.442 1.736 1.00 19.57 C ATOM 0 H LEU A 71 -9.865 2.067 5.444 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.732 2.508 2.540 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.018 2.402 4.563 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.228 2.830 2.877 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.990 0.262 3.854 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.210 -0.750 3.117 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.438 0.450 4.411 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.786 0.887 2.721 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.398 -0.631 1.566 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.971 0.975 1.055 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.279 0.752 1.557 1.00 19.57 H new