USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 131:sc= 0.567 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.469 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.6 K(o=1.6,f=-11!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 148:sc= 0.953 (180deg=0) USER MOD Single : A 1 MET CE :methyl 154:sc= 0 (180deg=-0.996) USER MOD Single : A 1 MET N :NH3+ -107:sc= 1.4 (180deg=0.395) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 1.3 (180deg=-1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 GLN : amide:sc= 0.118 K(o=0.12,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.554 USER MOD Single : A 60 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00656) USER MOD Single : A 65 SER OG : rot -136:sc= 0.339 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 -12.303 4.958 -4.340 1.00 9.67 N ATOM 2 CA MET A 1 -12.046 5.837 -3.177 1.00 10.38 C ATOM 3 C MET A 1 -10.602 6.172 -3.027 1.00 9.62 C ATOM 4 O MET A 1 -9.799 5.516 -3.689 1.00 9.62 O ATOM 5 CB MET A 1 -12.540 5.121 -1.908 1.00 13.77 C ATOM 6 CG MET A 1 -11.676 4.071 -1.207 1.00 16.29 C ATOM 7 SD MET A 1 -11.281 2.628 -2.240 1.00 17.17 S ATOM 8 CE MET A 1 -10.182 1.804 -1.052 1.00 16.11 C ATOM 0 H1 MET A 1 -12.762 5.507 -5.095 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.402 4.573 -4.690 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.926 4.176 -4.053 1.00 9.67 H new ATOM 0 HA MET A 1 -12.579 6.775 -3.334 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.763 5.894 -1.172 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.485 4.640 -2.161 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.746 4.538 -0.883 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.192 3.732 -0.309 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.180 0.731 -1.242 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.170 2.194 -1.161 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.536 1.992 -0.038 1.00 16.11 H new ATOM 20 N GLN A 2 -10.345 7.283 -2.314 1.00 9.27 N ATOM 21 CA GLN A 2 -8.996 7.675 -2.044 1.00 9.07 C ATOM 22 C GLN A 2 -8.561 7.213 -0.696 1.00 8.72 C ATOM 23 O GLN A 2 -9.294 7.324 0.286 1.00 8.22 O ATOM 24 CB GLN A 2 -8.932 9.209 -2.134 1.00 14.46 C ATOM 25 CG GLN A 2 -9.653 9.893 -3.297 1.00 17.01 C ATOM 26 CD GLN A 2 -9.484 11.405 -3.281 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.385 12.185 -2.977 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.252 11.868 -3.623 1.00 19.49 N ATOM 0 H GLN A 2 -11.059 7.902 -1.929 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.323 7.219 -2.770 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.336 9.615 -1.206 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.882 9.497 -2.177 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.272 9.498 -4.239 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.715 9.649 -3.256 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -7.512 11.212 -3.873 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.068 12.871 -3.629 1.00 19.49 H new ATOM 37 N ILE A 3 -7.327 6.693 -0.575 1.00 5.87 N ATOM 38 CA ILE A 3 -6.696 6.250 0.629 1.00 5.07 C ATOM 39 C ILE A 3 -5.335 6.829 0.812 1.00 4.01 C ATOM 40 O ILE A 3 -4.774 7.381 -0.133 1.00 4.61 O ATOM 41 CB ILE A 3 -6.583 4.757 0.720 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.530 4.283 -0.296 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.008 4.196 0.582 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.284 2.775 -0.277 1.00 10.83 C ATOM 0 H ILE A 3 -6.722 6.573 -1.387 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.354 6.607 1.421 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.210 4.379 1.672 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.847 4.577 -1.297 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.590 4.797 -0.096 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.978 3.108 0.642 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.632 4.587 1.385 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.425 4.495 -0.380 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.529 2.520 -1.021 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.935 2.476 0.711 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.212 2.252 -0.508 1.00 10.83 H new ATOM 56 N PHE A 4 -4.713 6.614 1.985 1.00 4.55 N ATOM 57 CA PHE A 4 -3.530 7.305 2.395 1.00 4.68 C ATOM 58 C PHE A 4 -2.560 6.208 2.668 1.00 5.30 C ATOM 59 O PHE A 4 -2.851 5.423 3.569 1.00 5.58 O ATOM 60 CB PHE A 4 -3.914 8.100 3.654 1.00 4.83 C ATOM 61 CG PHE A 4 -4.698 9.328 3.338 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.242 10.223 2.400 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.876 9.636 3.976 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.001 11.315 2.048 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.611 10.751 3.650 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.219 11.581 2.626 1.00 8.90 C ATOM 0 H PHE A 4 -5.045 5.936 2.671 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.104 8.008 1.679 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.497 7.462 4.319 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.009 8.380 4.193 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.280 10.068 1.935 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.235 8.982 4.757 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -4.626 11.987 1.290 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.509 10.978 4.206 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.838 12.401 2.293 1.00 8.90 H new ATOM 76 N VAL A 5 -1.430 6.036 1.958 1.00 4.44 N ATOM 77 CA VAL A 5 -0.356 5.142 2.260 1.00 3.87 C ATOM 78 C VAL A 5 0.686 6.057 2.804 1.00 4.93 C ATOM 79 O VAL A 5 1.089 7.053 2.205 1.00 6.84 O ATOM 80 CB VAL A 5 0.196 4.368 1.099 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.188 3.273 1.527 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.994 3.788 0.316 1.00 9.13 C ATOM 0 H VAL A 5 -1.256 6.566 1.104 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.699 4.356 2.933 1.00 3.87 H new ATOM 0 HB VAL A 5 0.776 5.038 0.465 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.553 2.748 0.644 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.028 3.728 2.052 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.687 2.566 2.188 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.625 3.218 -0.537 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.573 3.133 0.967 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.628 4.601 -0.038 1.00 9.13 H new ATOM 92 N LYS A 6 1.055 5.921 4.090 1.00 6.04 N ATOM 93 CA LYS A 6 2.224 6.582 4.582 1.00 6.12 C ATOM 94 C LYS A 6 3.459 5.775 4.368 1.00 6.57 C ATOM 95 O LYS A 6 3.478 4.596 4.716 1.00 5.76 O ATOM 96 CB LYS A 6 2.097 7.012 6.053 1.00 7.45 C ATOM 97 CG LYS A 6 2.991 8.147 6.556 1.00 11.12 C ATOM 98 CD LYS A 6 2.402 8.762 7.827 1.00 14.54 C ATOM 99 CE LYS A 6 3.219 9.937 8.367 1.00 18.84 C ATOM 100 NZ LYS A 6 2.562 10.635 9.495 1.00 20.55 N ATOM 0 H LYS A 6 0.553 5.362 4.780 1.00 6.04 H new ATOM 0 HA LYS A 6 2.314 7.494 3.991 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.061 7.303 6.226 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.290 6.137 6.673 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.993 7.768 6.758 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.088 8.911 5.785 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.386 9.099 7.622 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.333 7.993 8.596 1.00 14.54 H new ATOM 0 HE2 LYS A 6 4.194 9.574 8.691 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.396 10.649 7.561 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.164 11.420 9.816 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.643 11.009 9.184 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.417 9.967 10.279 1.00 20.55 H new ATOM 114 N THR A 7 4.497 6.428 3.815 1.00 7.41 N ATOM 115 CA THR A 7 5.765 5.771 3.736 1.00 7.48 C ATOM 116 C THR A 7 6.615 5.935 4.948 1.00 8.75 C ATOM 117 O THR A 7 6.263 6.740 5.809 1.00 8.58 O ATOM 118 CB THR A 7 6.540 6.307 2.569 1.00 9.61 C ATOM 119 OG1 THR A 7 7.035 7.637 2.622 1.00 11.78 O ATOM 120 CG2 THR A 7 5.722 6.194 1.271 1.00 9.17 C ATOM 0 H THR A 7 4.465 7.374 3.436 1.00 7.41 H new ATOM 0 HA THR A 7 5.535 4.711 3.632 1.00 7.48 H new ATOM 0 HB THR A 7 7.423 5.669 2.605 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.518 7.840 1.794 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.304 6.589 0.438 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.482 5.148 1.082 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.799 6.765 1.372 1.00 9.17 H new ATOM 128 N LEU A 8 7.641 5.082 5.122 1.00 9.84 N ATOM 129 CA LEU A 8 8.527 4.974 6.239 1.00 14.15 C ATOM 130 C LEU A 8 9.431 6.154 6.338 1.00 17.37 C ATOM 131 O LEU A 8 9.803 6.670 7.391 1.00 17.01 O ATOM 132 CB LEU A 8 9.275 3.647 6.025 1.00 16.63 C ATOM 133 CG LEU A 8 10.398 3.388 7.043 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.912 3.274 8.498 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.966 1.997 6.716 1.00 19.31 C ATOM 0 H LEU A 8 7.871 4.397 4.402 1.00 9.84 H new ATOM 0 HA LEU A 8 7.998 4.968 7.192 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.559 2.827 6.074 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.700 3.640 5.021 1.00 16.63 H new ATOM 0 HG LEU A 8 11.095 4.223 6.970 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.764 3.091 9.153 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.421 4.202 8.791 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.206 2.448 8.582 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.771 1.760 7.412 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.177 1.251 6.807 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.354 1.993 5.697 1.00 19.31 H new ATOM 147 N THR A 9 9.695 6.742 5.157 1.00 18.33 N ATOM 148 CA THR A 9 10.312 8.021 4.988 1.00 19.24 C ATOM 149 C THR A 9 9.586 9.158 5.621 1.00 19.48 C ATOM 150 O THR A 9 10.271 9.858 6.364 1.00 23.14 O ATOM 151 CB THR A 9 10.235 8.439 3.549 1.00 18.97 C ATOM 152 OG1 THR A 9 10.996 7.564 2.730 1.00 20.24 O ATOM 153 CG2 THR A 9 10.731 9.831 3.123 1.00 19.70 C ATOM 0 H THR A 9 9.464 6.298 4.268 1.00 18.33 H new ATOM 0 HA THR A 9 11.304 7.870 5.414 1.00 19.24 H new ATOM 0 HB THR A 9 9.152 8.427 3.424 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.932 7.852 1.796 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.595 9.952 2.048 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.162 10.597 3.649 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.788 9.932 3.369 1.00 19.70 H new ATOM 161 N GLY A 10 8.262 9.336 5.469 1.00 19.43 N ATOM 162 CA GLY A 10 7.560 10.265 6.299 1.00 18.74 C ATOM 163 C GLY A 10 6.720 11.077 5.374 1.00 17.62 C ATOM 164 O GLY A 10 6.651 12.304 5.437 1.00 19.74 O ATOM 0 H GLY A 10 7.686 8.847 4.784 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.944 9.746 7.034 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.254 10.896 6.854 1.00 18.74 H new ATOM 168 N LYS A 11 5.934 10.519 4.436 1.00 13.56 N ATOM 169 CA LYS A 11 5.086 11.244 3.541 1.00 11.91 C ATOM 170 C LYS A 11 3.832 10.442 3.493 1.00 10.18 C ATOM 171 O LYS A 11 3.785 9.216 3.580 1.00 9.10 O ATOM 172 CB LYS A 11 5.760 11.107 2.165 1.00 13.43 C ATOM 173 CG LYS A 11 7.059 11.838 1.823 1.00 16.69 C ATOM 174 CD LYS A 11 7.794 11.298 0.595 1.00 17.92 C ATOM 175 CE LYS A 11 8.566 12.447 -0.057 1.00 20.81 C ATOM 176 NZ LYS A 11 8.979 12.053 -1.422 1.00 21.93 N ATOM 0 H LYS A 11 5.888 9.510 4.295 1.00 13.56 H new ATOM 0 HA LYS A 11 4.913 12.284 3.817 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.947 10.044 2.011 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.023 11.412 1.422 1.00 13.43 H new ATOM 0 HG2 LYS A 11 6.834 12.892 1.660 1.00 16.69 H new ATOM 0 HG3 LYS A 11 7.727 11.783 2.682 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.477 10.499 0.884 1.00 17.92 H new ATOM 0 HD3 LYS A 11 7.084 10.870 -0.113 1.00 17.92 H new ATOM 0 HE2 LYS A 11 7.943 13.341 -0.098 1.00 20.81 H new ATOM 0 HE3 LYS A 11 9.442 12.696 0.542 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 9.955 12.368 -1.594 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 8.928 11.018 -1.515 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 8.345 12.495 -2.118 1.00 21.93 H new ATOM 190 N THR A 12 2.748 11.229 3.369 1.00 9.63 N ATOM 191 CA THR A 12 1.443 10.730 3.066 1.00 9.85 C ATOM 192 C THR A 12 1.234 10.957 1.609 1.00 11.66 C ATOM 193 O THR A 12 1.287 12.069 1.085 1.00 12.33 O ATOM 194 CB THR A 12 0.253 11.259 3.810 1.00 10.85 C ATOM 195 OG1 THR A 12 0.412 11.275 5.221 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.917 10.290 3.572 1.00 9.63 C ATOM 0 H THR A 12 2.781 12.242 3.483 1.00 9.63 H new ATOM 0 HA THR A 12 1.468 9.691 3.395 1.00 9.85 H new ATOM 0 HB THR A 12 0.102 12.277 3.451 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.400 11.633 5.638 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.800 10.648 4.102 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.132 10.234 2.505 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.650 9.300 3.941 1.00 9.63 H new ATOM 204 N ILE A 13 1.091 9.858 0.847 1.00 10.42 N ATOM 205 CA ILE A 13 0.808 9.915 -0.554 1.00 11.84 C ATOM 206 C ILE A 13 -0.621 9.515 -0.679 1.00 10.55 C ATOM 207 O ILE A 13 -1.027 8.545 -0.040 1.00 11.92 O ATOM 208 CB ILE A 13 1.798 9.062 -1.291 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.035 7.640 -0.756 1.00 14.87 C ATOM 210 CG2 ILE A 13 3.097 9.836 -1.569 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.853 6.819 -1.753 1.00 16.46 C ATOM 0 H ILE A 13 1.174 8.909 1.212 1.00 10.42 H new ATOM 0 HA ILE A 13 0.922 10.899 -1.008 1.00 11.84 H new ATOM 0 HB ILE A 13 1.308 8.849 -2.241 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.558 7.688 0.199 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.078 7.151 -0.572 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.796 9.193 -2.104 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.875 10.714 -2.175 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.543 10.150 -0.625 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.010 5.816 -1.356 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.316 6.755 -2.699 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.818 7.300 -1.916 1.00 16.46 H new ATOM 223 N THR A 14 -1.348 10.318 -1.475 1.00 9.39 N ATOM 224 CA THR A 14 -2.752 10.121 -1.663 1.00 9.63 C ATOM 225 C THR A 14 -2.994 9.285 -2.873 1.00 11.20 C ATOM 226 O THR A 14 -2.584 9.679 -3.964 1.00 11.63 O ATOM 227 CB THR A 14 -3.499 11.400 -1.898 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.081 12.330 -0.909 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.015 11.409 -1.643 1.00 11.66 C ATOM 0 H THR A 14 -0.961 11.108 -1.991 1.00 9.39 H new ATOM 0 HA THR A 14 -3.104 9.650 -0.745 1.00 9.63 H new ATOM 0 HB THR A 14 -3.299 11.599 -2.951 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.553 13.179 -1.038 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.414 12.401 -1.856 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.497 10.677 -2.291 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.210 11.155 -0.601 1.00 11.66 H new ATOM 237 N LEU A 15 -3.594 8.085 -2.790 1.00 8.29 N ATOM 238 CA LEU A 15 -3.766 7.272 -3.954 1.00 9.03 C ATOM 239 C LEU A 15 -5.240 7.104 -4.092 1.00 8.59 C ATOM 240 O LEU A 15 -5.952 7.039 -3.090 1.00 7.79 O ATOM 241 CB LEU A 15 -3.296 5.810 -3.869 1.00 11.08 C ATOM 242 CG LEU A 15 -1.770 5.720 -3.695 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.303 4.270 -3.486 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.044 6.249 -4.944 1.00 15.88 C ATOM 0 H LEU A 15 -3.957 7.680 -1.927 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.197 7.772 -4.738 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.789 5.316 -3.032 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.593 5.278 -4.773 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.530 6.321 -2.818 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.220 4.250 -3.367 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.774 3.862 -2.592 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.584 3.669 -4.351 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.034 6.175 -4.797 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.333 5.656 -5.812 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.317 7.291 -5.109 1.00 15.88 H new ATOM 256 N GLU A 16 -5.744 7.119 -5.339 1.00 11.04 N ATOM 257 CA GLU A 16 -7.074 6.838 -5.782 1.00 11.50 C ATOM 258 C GLU A 16 -7.201 5.502 -6.428 1.00 10.13 C ATOM 259 O GLU A 16 -6.731 5.328 -7.552 1.00 9.83 O ATOM 260 CB GLU A 16 -7.677 7.890 -6.728 1.00 17.22 C ATOM 261 CG GLU A 16 -9.079 7.483 -7.185 1.00 23.33 C ATOM 262 CD GLU A 16 -9.467 8.558 -8.192 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.682 8.732 -9.161 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.511 9.227 -7.971 1.00 28.90 O ATOM 0 H GLU A 16 -5.143 7.357 -6.128 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.643 6.859 -4.853 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.722 8.855 -6.222 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.030 8.015 -7.597 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.078 6.492 -7.640 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.777 7.449 -6.349 1.00 23.33 H new ATOM 271 N VAL A 17 -7.910 4.559 -5.784 1.00 8.99 N ATOM 272 CA VAL A 17 -8.110 3.213 -6.226 1.00 8.85 C ATOM 273 C VAL A 17 -9.547 2.824 -6.182 1.00 8.04 C ATOM 274 O VAL A 17 -10.429 3.464 -5.611 1.00 8.99 O ATOM 275 CB VAL A 17 -7.273 2.264 -5.420 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.759 2.483 -5.573 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.691 2.319 -3.941 1.00 10.54 C ATOM 0 H VAL A 17 -8.374 4.749 -4.896 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.792 3.157 -7.267 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.464 1.268 -5.819 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.223 1.759 -4.960 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.476 2.354 -6.618 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.503 3.492 -5.250 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.078 1.627 -3.364 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.552 3.331 -3.561 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.740 2.038 -3.849 1.00 10.54 H new ATOM 287 N GLU A 18 -9.907 1.672 -6.775 1.00 7.29 N ATOM 288 CA GLU A 18 -11.168 1.016 -6.618 1.00 7.08 C ATOM 289 C GLU A 18 -11.022 0.045 -5.497 1.00 6.45 C ATOM 290 O GLU A 18 -9.893 -0.389 -5.276 1.00 5.28 O ATOM 291 CB GLU A 18 -11.645 0.345 -7.917 1.00 10.28 C ATOM 292 CG GLU A 18 -13.148 0.343 -8.203 1.00 12.65 C ATOM 293 CD GLU A 18 -13.891 1.671 -8.183 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.441 2.449 -9.066 1.00 18.17 O ATOM 295 OE2 GLU A 18 -14.655 1.994 -7.234 1.00 14.33 O ATOM 0 H GLU A 18 -9.279 1.169 -7.402 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.944 1.745 -6.384 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.145 0.836 -8.752 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.304 -0.690 -7.905 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.298 -0.107 -9.184 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.623 -0.314 -7.475 1.00 12.65 H new ATOM 302 N PRO A 19 -11.931 -0.445 -4.707 1.00 7.24 N ATOM 303 CA PRO A 19 -11.634 -1.458 -3.736 1.00 7.07 C ATOM 304 C PRO A 19 -11.569 -2.815 -4.348 1.00 6.65 C ATOM 305 O PRO A 19 -11.236 -3.832 -3.741 1.00 6.37 O ATOM 306 CB PRO A 19 -12.769 -1.389 -2.718 1.00 7.61 C ATOM 307 CG PRO A 19 -13.891 -0.707 -3.518 1.00 8.16 C ATOM 308 CD PRO A 19 -13.245 0.171 -4.602 1.00 7.49 C ATOM 0 HA PRO A 19 -10.657 -1.287 -3.283 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.063 -2.379 -2.370 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.490 -0.811 -1.837 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.542 -1.454 -3.972 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.513 -0.101 -2.859 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.794 0.136 -5.543 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.188 1.218 -4.305 1.00 7.49 H new ATOM 316 N SER A 20 -11.866 -2.921 -5.656 1.00 6.80 N ATOM 317 CA SER A 20 -11.667 -4.074 -6.478 1.00 6.28 C ATOM 318 C SER A 20 -10.252 -4.300 -6.886 1.00 8.45 C ATOM 319 O SER A 20 -9.836 -5.372 -7.324 1.00 7.26 O ATOM 320 CB SER A 20 -12.553 -4.048 -7.735 1.00 8.57 C ATOM 321 OG SER A 20 -13.885 -3.732 -7.359 1.00 11.13 O ATOM 0 H SER A 20 -12.275 -2.144 -6.175 1.00 6.80 H new ATOM 0 HA SER A 20 -11.958 -4.907 -5.838 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.178 -3.310 -8.444 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.523 -5.016 -8.236 1.00 8.57 H new ATOM 0 HG SER A 20 -14.454 -3.712 -8.157 1.00 11.13 H new ATOM 327 N ASP A 21 -9.433 -3.234 -6.860 1.00 7.50 N ATOM 328 CA ASP A 21 -8.019 -3.251 -7.077 1.00 7.70 C ATOM 329 C ASP A 21 -7.316 -3.956 -5.969 1.00 7.08 C ATOM 330 O ASP A 21 -7.732 -4.032 -4.814 1.00 8.11 O ATOM 331 CB ASP A 21 -7.393 -1.855 -7.233 1.00 11.00 C ATOM 332 CG ASP A 21 -7.802 -1.184 -8.536 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.648 -1.808 -9.619 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.225 0.002 -8.485 1.00 18.03 O ATOM 0 H ASP A 21 -9.784 -2.294 -6.674 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.889 -3.781 -8.020 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.694 -1.228 -6.394 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.307 -1.939 -7.195 1.00 11.00 H new ATOM 339 N THR A 22 -6.165 -4.542 -6.340 1.00 5.37 N ATOM 340 CA THR A 22 -5.395 -5.377 -5.471 1.00 6.01 C ATOM 341 C THR A 22 -4.257 -4.618 -4.880 1.00 8.01 C ATOM 342 O THR A 22 -4.066 -3.409 -5.001 1.00 8.11 O ATOM 343 CB THR A 22 -4.805 -6.559 -6.183 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.867 -6.096 -7.144 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.803 -7.582 -6.751 1.00 9.65 C ATOM 0 H THR A 22 -5.758 -4.433 -7.269 1.00 5.37 H new ATOM 0 HA THR A 22 -6.088 -5.720 -4.703 1.00 6.01 H new ATOM 0 HB THR A 22 -4.298 -7.155 -5.424 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.475 -6.862 -7.613 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.258 -8.389 -7.241 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.405 -7.992 -5.940 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.454 -7.092 -7.475 1.00 9.65 H new ATOM 353 N ILE A 23 -3.325 -5.295 -4.186 1.00 8.32 N ATOM 354 CA ILE A 23 -2.251 -4.714 -3.442 1.00 9.92 C ATOM 355 C ILE A 23 -1.097 -4.498 -4.360 1.00 10.01 C ATOM 356 O ILE A 23 -0.085 -3.833 -4.148 1.00 8.71 O ATOM 357 CB ILE A 23 -1.919 -5.538 -2.234 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.151 -6.037 -1.460 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.875 -4.841 -1.346 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.879 -4.859 -0.816 1.00 12.30 C ATOM 0 H ILE A 23 -3.322 -6.314 -4.142 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.544 -3.742 -3.046 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.456 -6.452 -2.605 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.824 -6.566 -2.135 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.845 -6.748 -0.693 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.658 -5.466 -0.480 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.040 -4.682 -1.917 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.266 -3.880 -1.011 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.750 -5.223 -0.271 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.206 -4.349 -0.127 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.201 -4.163 -1.591 1.00 12.30 H new ATOM 372 N GLU A 24 -1.115 -5.175 -5.522 1.00 9.54 N ATOM 373 CA GLU A 24 -0.170 -5.018 -6.583 1.00 11.81 C ATOM 374 C GLU A 24 -0.447 -3.770 -7.348 1.00 11.14 C ATOM 375 O GLU A 24 0.466 -3.146 -7.887 1.00 10.62 O ATOM 376 CB GLU A 24 -0.245 -6.282 -7.458 1.00 19.24 C ATOM 377 CG GLU A 24 0.956 -6.433 -8.393 1.00 27.76 C ATOM 378 CD GLU A 24 0.667 -7.530 -9.408 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.086 -8.590 -9.050 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.907 -7.336 -10.629 1.00 34.80 O ATOM 0 H GLU A 24 -1.830 -5.871 -5.732 1.00 9.54 H new ATOM 0 HA GLU A 24 0.844 -4.912 -6.198 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.310 -7.159 -6.815 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.159 -6.253 -8.051 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.154 -5.491 -8.905 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.850 -6.678 -7.819 1.00 27.76 H new ATOM 387 N ASN A 25 -1.716 -3.325 -7.344 1.00 9.43 N ATOM 388 CA ASN A 25 -2.028 -2.091 -7.997 1.00 10.96 C ATOM 389 C ASN A 25 -1.500 -0.968 -7.174 1.00 9.68 C ATOM 390 O ASN A 25 -0.988 0.019 -7.701 1.00 9.33 O ATOM 391 CB ASN A 25 -3.546 -2.018 -8.232 1.00 16.78 C ATOM 392 CG ASN A 25 -3.892 -0.913 -9.221 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.492 0.105 -8.879 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.444 -0.979 -10.503 1.00 24.70 N ATOM 0 H ASN A 25 -2.504 -3.801 -6.904 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.554 -2.021 -8.976 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.906 -2.975 -8.610 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.056 -1.837 -7.286 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.610 -0.201 -11.142 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.942 -1.806 -10.826 1.00 24.70 H new ATOM 401 N VAL A 26 -1.506 -1.112 -5.837 1.00 6.52 N ATOM 402 CA VAL A 26 -0.998 -0.145 -4.913 1.00 5.53 C ATOM 403 C VAL A 26 0.475 0.060 -5.010 1.00 4.42 C ATOM 404 O VAL A 26 0.934 1.173 -5.262 1.00 3.40 O ATOM 405 CB VAL A 26 -1.632 -0.374 -3.574 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.080 0.662 -2.579 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.163 -0.233 -3.616 1.00 8.12 C ATOM 0 H VAL A 26 -1.883 -1.942 -5.378 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.306 0.866 -5.180 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.395 -1.393 -3.270 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.534 0.505 -1.601 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.001 0.550 -2.499 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.315 1.666 -2.931 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.572 -0.409 -2.621 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.427 0.772 -3.945 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.577 -0.963 -4.312 1.00 8.12 H new ATOM 417 N LYS A 27 1.188 -1.080 -5.044 1.00 2.64 N ATOM 418 CA LYS A 27 2.590 -1.203 -5.294 1.00 4.14 C ATOM 419 C LYS A 27 3.031 -0.581 -6.574 1.00 5.58 C ATOM 420 O LYS A 27 4.077 0.062 -6.651 1.00 4.11 O ATOM 421 CB LYS A 27 3.011 -2.682 -5.255 1.00 3.97 C ATOM 422 CG LYS A 27 3.275 -3.278 -3.871 1.00 7.45 C ATOM 423 CD LYS A 27 3.568 -4.774 -4.002 1.00 9.02 C ATOM 424 CE LYS A 27 4.298 -5.273 -2.754 1.00 12.90 C ATOM 425 NZ LYS A 27 4.773 -6.636 -3.084 1.00 15.47 N ATOM 0 H LYS A 27 0.748 -1.986 -4.884 1.00 2.64 H new ATOM 0 HA LYS A 27 3.087 -0.649 -4.497 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.232 -3.272 -5.738 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.914 -2.796 -5.854 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.118 -2.772 -3.401 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.410 -3.122 -3.226 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.637 -5.325 -4.134 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.176 -4.958 -4.888 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.132 -4.619 -2.501 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.632 -5.289 -1.891 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.473 -6.940 -2.378 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.968 -7.295 -3.080 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.212 -6.632 -4.027 1.00 15.47 H new ATOM 439 N ALA A 28 2.265 -0.785 -7.661 1.00 6.61 N ATOM 440 CA ALA A 28 2.395 -0.082 -8.899 1.00 7.74 C ATOM 441 C ALA A 28 2.209 1.395 -8.959 1.00 9.17 C ATOM 442 O ALA A 28 2.952 2.151 -9.582 1.00 11.45 O ATOM 443 CB ALA A 28 1.405 -0.556 -9.976 1.00 7.68 C ATOM 0 H ALA A 28 1.516 -1.477 -7.676 1.00 6.61 H new ATOM 0 HA ALA A 28 3.448 -0.317 -9.053 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.558 0.019 -10.889 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.570 -1.614 -10.181 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.385 -0.410 -9.622 1.00 7.68 H new ATOM 449 N LYS A 29 1.220 1.908 -8.205 1.00 8.96 N ATOM 450 CA LYS A 29 1.030 3.323 -8.111 1.00 7.90 C ATOM 451 C LYS A 29 2.122 3.975 -7.336 1.00 6.92 C ATOM 452 O LYS A 29 2.545 5.083 -7.661 1.00 6.87 O ATOM 453 CB LYS A 29 -0.336 3.800 -7.589 1.00 10.28 C ATOM 454 CG LYS A 29 -1.482 3.373 -8.509 1.00 14.94 C ATOM 455 CD LYS A 29 -2.862 3.812 -8.016 1.00 19.69 C ATOM 456 CE LYS A 29 -3.825 3.906 -9.201 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.204 2.581 -9.742 1.00 24.98 N ATOM 0 H LYS A 29 0.558 1.350 -7.666 1.00 8.96 H new ATOM 0 HA LYS A 29 1.059 3.640 -9.154 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.503 3.397 -6.590 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.330 4.886 -7.497 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.312 3.787 -9.503 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.470 2.288 -8.610 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.241 3.100 -7.283 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.790 4.778 -7.515 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.725 4.437 -8.890 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.363 4.497 -9.992 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.175 2.622 -10.113 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.551 2.319 -10.508 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.153 1.869 -8.985 1.00 24.98 H new ATOM 471 N ILE A 30 2.628 3.371 -6.246 1.00 4.57 N ATOM 472 CA ILE A 30 3.704 3.829 -5.423 1.00 5.58 C ATOM 473 C ILE A 30 4.967 3.796 -6.213 1.00 7.26 C ATOM 474 O ILE A 30 5.838 4.650 -6.053 1.00 9.46 O ATOM 475 CB ILE A 30 3.810 3.136 -4.096 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.454 3.266 -3.382 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.907 3.792 -3.241 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.395 2.543 -2.037 1.00 2.00 C ATOM 0 H ILE A 30 2.249 2.484 -5.913 1.00 4.57 H new ATOM 0 HA ILE A 30 3.492 4.860 -5.139 1.00 5.58 H new ATOM 0 HB ILE A 30 4.068 2.087 -4.243 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.235 4.322 -3.226 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.672 2.871 -4.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.974 3.281 -2.281 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.864 3.720 -3.759 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.662 4.841 -3.077 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.409 2.680 -1.593 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.581 1.480 -2.187 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.153 2.953 -1.370 1.00 2.00 H new ATOM 490 N GLN A 31 5.197 2.830 -7.120 1.00 7.06 N ATOM 491 CA GLN A 31 6.325 2.768 -7.997 1.00 8.67 C ATOM 492 C GLN A 31 6.250 3.935 -8.920 1.00 10.90 C ATOM 493 O GLN A 31 7.233 4.608 -9.226 1.00 9.63 O ATOM 494 CB GLN A 31 6.430 1.461 -8.801 1.00 9.12 C ATOM 495 CG GLN A 31 7.545 1.398 -9.847 1.00 10.76 C ATOM 496 CD GLN A 31 7.510 0.151 -10.718 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.877 -0.858 -10.413 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.308 0.149 -11.819 1.00 14.76 N ATOM 0 H GLN A 31 4.557 2.046 -7.248 1.00 7.06 H new ATOM 0 HA GLN A 31 7.223 2.795 -7.380 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.571 0.638 -8.100 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.478 1.291 -9.304 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.478 2.277 -10.487 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.508 1.446 -9.339 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.832 0.987 -12.070 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.382 -0.691 -12.394 1.00 14.76 H new ATOM 507 N ASP A 32 5.045 4.298 -9.395 1.00 10.93 N ATOM 508 CA ASP A 32 4.931 5.325 -10.383 1.00 14.01 C ATOM 509 C ASP A 32 5.192 6.668 -9.793 1.00 14.04 C ATOM 510 O ASP A 32 6.114 7.426 -10.092 1.00 13.39 O ATOM 511 CB ASP A 32 3.528 5.218 -11.003 1.00 18.01 C ATOM 512 CG ASP A 32 3.462 5.870 -12.376 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.074 5.292 -13.313 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.834 6.960 -12.462 1.00 25.17 O ATOM 0 H ASP A 32 4.160 3.886 -9.099 1.00 10.93 H new ATOM 0 HA ASP A 32 5.681 5.196 -11.163 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.247 4.168 -11.086 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.802 5.691 -10.342 1.00 18.01 H new ATOM 519 N LYS A 33 4.375 7.060 -8.799 1.00 14.22 N ATOM 520 CA LYS A 33 4.516 8.289 -8.082 1.00 14.00 C ATOM 521 C LYS A 33 5.743 8.567 -7.284 1.00 12.37 C ATOM 522 O LYS A 33 6.472 9.517 -7.566 1.00 12.17 O ATOM 523 CB LYS A 33 3.259 8.419 -7.205 1.00 18.62 C ATOM 524 CG LYS A 33 2.836 9.838 -6.818 1.00 24.00 C ATOM 525 CD LYS A 33 1.704 9.843 -5.789 1.00 27.61 C ATOM 526 CE LYS A 33 0.295 10.059 -6.345 1.00 27.64 C ATOM 527 NZ LYS A 33 0.024 11.513 -6.387 1.00 30.06 N ATOM 0 H LYS A 33 3.585 6.498 -8.482 1.00 14.22 H new ATOM 0 HA LYS A 33 4.634 9.045 -8.858 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.428 7.947 -7.729 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.422 7.851 -6.289 1.00 18.62 H new ATOM 0 HG2 LYS A 33 3.695 10.374 -6.414 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.516 10.376 -7.710 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.721 8.893 -5.255 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.908 10.624 -5.057 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.212 9.629 -7.343 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.441 9.555 -5.719 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.932 11.677 -6.763 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.090 11.906 -5.427 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.723 11.979 -7.001 1.00 30.06 H new ATOM 541 N GLU A 34 6.164 7.623 -6.423 1.00 10.11 N ATOM 542 CA GLU A 34 7.272 7.887 -5.558 1.00 10.07 C ATOM 543 C GLU A 34 8.484 7.118 -5.957 1.00 9.32 C ATOM 544 O GLU A 34 9.611 7.381 -5.539 1.00 11.61 O ATOM 545 CB GLU A 34 6.865 7.501 -4.126 1.00 14.77 C ATOM 546 CG GLU A 34 6.256 8.621 -3.281 1.00 18.75 C ATOM 547 CD GLU A 34 7.176 9.810 -3.043 1.00 22.28 C ATOM 548 OE1 GLU A 34 8.143 9.682 -2.245 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.900 10.890 -3.630 1.00 25.19 O ATOM 0 H GLU A 34 5.748 6.697 -6.326 1.00 10.11 H new ATOM 0 HA GLU A 34 7.523 8.946 -5.623 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.148 6.682 -4.181 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.745 7.119 -3.609 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.348 8.974 -3.770 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.959 8.210 -2.316 1.00 18.75 H new ATOM 556 N GLY A 35 8.414 6.040 -6.758 1.00 7.22 N ATOM 557 CA GLY A 35 9.584 5.417 -7.293 1.00 6.29 C ATOM 558 C GLY A 35 10.181 4.391 -6.391 1.00 6.93 C ATOM 559 O GLY A 35 11.344 4.026 -6.555 1.00 7.41 O ATOM 0 H GLY A 35 7.539 5.597 -7.037 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.333 4.949 -8.245 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.330 6.184 -7.501 1.00 6.29 H new ATOM 563 N ILE A 36 9.417 3.724 -5.507 1.00 5.86 N ATOM 564 CA ILE A 36 9.953 2.671 -4.701 1.00 6.07 C ATOM 565 C ILE A 36 9.789 1.344 -5.359 1.00 6.36 C ATOM 566 O ILE A 36 8.691 1.008 -5.801 1.00 6.18 O ATOM 567 CB ILE A 36 9.400 2.674 -3.307 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.310 4.017 -2.564 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.964 1.555 -2.415 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.534 4.058 -1.248 1.00 9.49 C ATOM 0 H ILE A 36 8.427 3.914 -5.350 1.00 5.86 H new ATOM 0 HA ILE A 36 11.022 2.862 -4.606 1.00 6.07 H new ATOM 0 HB ILE A 36 8.353 2.451 -3.514 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.326 4.356 -2.363 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.859 4.743 -3.240 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.518 1.621 -1.423 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.729 0.586 -2.855 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.046 1.664 -2.335 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.558 5.069 -0.843 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.500 3.763 -1.426 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.990 3.370 -0.535 1.00 9.49 H new ATOM 582 N PRO A 37 10.732 0.454 -5.451 1.00 8.65 N ATOM 583 CA PRO A 37 10.394 -0.761 -6.134 1.00 9.18 C ATOM 584 C PRO A 37 9.455 -1.699 -5.457 1.00 9.85 C ATOM 585 O PRO A 37 9.528 -1.668 -4.230 1.00 8.51 O ATOM 586 CB PRO A 37 11.748 -1.459 -6.233 1.00 11.42 C ATOM 587 CG PRO A 37 12.713 -0.286 -6.474 1.00 9.27 C ATOM 588 CD PRO A 37 12.116 0.860 -5.642 1.00 8.33 C ATOM 0 HA PRO A 37 9.870 -0.506 -7.055 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.991 -2.003 -5.320 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.774 -2.180 -7.050 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.725 -0.529 -6.151 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.769 -0.025 -7.531 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.635 0.978 -4.691 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.186 1.814 -6.164 1.00 8.33 H new ATOM 596 N PRO A 38 8.702 -2.536 -6.108 1.00 8.71 N ATOM 597 CA PRO A 38 7.626 -3.193 -5.424 1.00 9.08 C ATOM 598 C PRO A 38 8.010 -4.298 -4.502 1.00 9.28 C ATOM 599 O PRO A 38 7.242 -4.605 -3.591 1.00 6.50 O ATOM 600 CB PRO A 38 6.773 -3.706 -6.582 1.00 10.31 C ATOM 601 CG PRO A 38 6.913 -2.561 -7.598 1.00 10.81 C ATOM 602 CD PRO A 38 8.425 -2.294 -7.516 1.00 12.00 C ATOM 0 HA PRO A 38 7.128 -2.506 -4.741 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.144 -4.652 -6.977 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.736 -3.868 -6.287 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.598 -2.855 -8.599 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.323 -1.687 -7.322 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.993 -2.962 -8.164 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.675 -1.275 -7.811 1.00 12.00 H new ATOM 610 N ASP A 39 9.108 -5.053 -4.689 1.00 11.20 N ATOM 611 CA ASP A 39 9.392 -6.245 -3.953 1.00 14.96 C ATOM 612 C ASP A 39 9.863 -5.847 -2.596 1.00 13.99 C ATOM 613 O ASP A 39 9.893 -6.629 -1.647 1.00 13.75 O ATOM 614 CB ASP A 39 10.356 -7.152 -4.736 1.00 24.16 C ATOM 615 CG ASP A 39 11.730 -6.501 -4.804 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.864 -5.463 -5.507 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.691 -7.005 -4.164 1.00 34.22 O ATOM 0 H ASP A 39 9.824 -4.824 -5.378 1.00 11.20 H new ATOM 0 HA ASP A 39 8.501 -6.857 -3.817 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.428 -8.126 -4.252 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.974 -7.323 -5.742 1.00 24.16 H new ATOM 622 N GLN A 40 10.234 -4.576 -2.362 1.00 11.60 N ATOM 623 CA GLN A 40 10.851 -4.051 -1.184 1.00 10.76 C ATOM 624 C GLN A 40 9.922 -3.176 -0.415 1.00 8.01 C ATOM 625 O GLN A 40 10.272 -2.636 0.633 1.00 8.96 O ATOM 626 CB GLN A 40 12.084 -3.217 -1.570 1.00 11.14 C ATOM 627 CG GLN A 40 11.806 -1.891 -2.281 1.00 14.85 C ATOM 628 CD GLN A 40 13.074 -1.061 -2.147 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.998 0.005 -1.538 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.149 -1.438 -2.889 1.00 18.16 N ATOM 0 H GLN A 40 10.088 -3.850 -3.064 1.00 11.60 H new ATOM 0 HA GLN A 40 11.133 -4.900 -0.562 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.653 -3.008 -0.664 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.721 -3.824 -2.214 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.559 -2.056 -3.330 1.00 14.85 H new ATOM 0 HG3 GLN A 40 10.956 -1.379 -1.830 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.147 -2.338 -3.370 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.958 -0.821 -2.965 1.00 18.16 H new ATOM 639 N GLN A 41 8.652 -3.023 -0.831 1.00 6.52 N ATOM 640 CA GLN A 41 7.522 -2.435 -0.181 1.00 3.87 C ATOM 641 C GLN A 41 6.909 -3.539 0.610 1.00 4.79 C ATOM 642 O GLN A 41 6.777 -4.642 0.083 1.00 6.34 O ATOM 643 CB GLN A 41 6.494 -1.765 -1.108 1.00 4.20 C ATOM 644 CG GLN A 41 6.976 -0.673 -2.066 1.00 3.20 C ATOM 645 CD GLN A 41 5.851 -0.265 -3.005 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.715 -0.053 -2.583 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.167 0.063 -4.287 1.00 7.13 N ATOM 0 H GLN A 41 8.386 -3.362 -1.756 1.00 6.52 H new ATOM 0 HA GLN A 41 7.860 -1.600 0.433 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.027 -2.548 -1.706 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.713 -1.335 -0.481 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.319 0.193 -1.499 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.828 -1.034 -2.642 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.108 -0.111 -4.641 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.463 0.483 -4.894 1.00 7.13 H new ATOM 656 N ARG A 42 6.564 -3.207 1.867 1.00 5.73 N ATOM 657 CA ARG A 42 5.937 -4.105 2.786 1.00 6.97 C ATOM 658 C ARG A 42 4.780 -3.294 3.260 1.00 7.15 C ATOM 659 O ARG A 42 4.965 -2.200 3.791 1.00 7.33 O ATOM 660 CB ARG A 42 6.904 -4.518 3.907 1.00 13.23 C ATOM 661 CG ARG A 42 6.251 -5.443 4.936 1.00 21.27 C ATOM 662 CD ARG A 42 7.260 -6.139 5.851 1.00 26.14 C ATOM 663 NE ARG A 42 7.886 -7.258 5.091 1.00 32.26 N ATOM 664 CZ ARG A 42 8.817 -8.127 5.582 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.536 -7.921 6.724 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.187 -9.258 4.913 1.00 36.39 N ATOM 0 H ARG A 42 6.728 -2.279 2.257 1.00 5.73 H new ATOM 0 HA ARG A 42 5.629 -5.059 2.359 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.768 -5.019 3.470 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.274 -3.625 4.410 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.557 -4.864 5.546 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.663 -6.198 4.414 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.021 -5.433 6.183 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.764 -6.518 6.745 1.00 26.14 H new ATOM 0 HE ARG A 42 7.594 -7.385 4.122 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.393 -7.072 7.271 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.216 -8.616 7.031 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.764 -9.479 4.012 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.887 -9.882 5.314 1.00 36.39 H new ATOM 680 N LEU A 43 3.501 -3.704 3.205 1.00 4.65 N ATOM 681 CA LEU A 43 2.406 -2.812 3.432 1.00 3.51 C ATOM 682 C LEU A 43 1.694 -3.566 4.502 1.00 5.56 C ATOM 683 O LEU A 43 1.417 -4.762 4.429 1.00 4.19 O ATOM 684 CB LEU A 43 1.426 -2.529 2.282 1.00 3.74 C ATOM 685 CG LEU A 43 1.981 -1.650 1.149 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.254 -1.833 -0.194 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.766 -0.172 1.515 1.00 9.55 C ATOM 0 H LEU A 43 3.223 -4.664 3.001 1.00 4.65 H new ATOM 0 HA LEU A 43 2.778 -1.807 3.633 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.105 -3.480 1.858 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.539 -2.047 2.693 1.00 3.74 H new ATOM 0 HG LEU A 43 3.026 -1.940 1.040 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.703 -1.180 -0.943 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.343 -2.870 -0.517 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.201 -1.579 -0.075 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.156 0.461 0.718 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.701 0.020 1.642 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.289 0.052 2.445 1.00 9.55 H new ATOM 699 N ILE A 44 1.373 -2.733 5.508 1.00 4.58 N ATOM 700 CA ILE A 44 0.723 -3.026 6.747 1.00 5.55 C ATOM 701 C ILE A 44 -0.559 -2.280 6.890 1.00 5.46 C ATOM 702 O ILE A 44 -0.588 -1.098 6.550 1.00 6.04 O ATOM 703 CB ILE A 44 1.546 -2.613 7.931 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.031 -2.993 7.807 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.022 -3.083 9.298 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.299 -4.494 7.717 1.00 13.90 C ATOM 0 H ILE A 44 1.597 -1.740 5.441 1.00 4.58 H new ATOM 0 HA ILE A 44 0.566 -4.104 6.727 1.00 5.55 H new ATOM 0 HB ILE A 44 1.446 -1.528 7.906 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.443 -2.510 6.921 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.568 -2.593 8.667 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.690 -2.731 10.084 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.023 -2.680 9.463 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.981 -4.172 9.317 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.372 -4.668 7.632 1.00 13.90 H new ATOM 0 HD12 ILE A 44 2.922 -4.985 8.614 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.795 -4.902 6.841 1.00 13.90 H new ATOM 718 N PHE A 45 -1.652 -2.929 7.330 1.00 6.75 N ATOM 719 CA PHE A 45 -2.812 -2.259 7.828 1.00 4.70 C ATOM 720 C PHE A 45 -3.237 -2.780 9.158 1.00 6.34 C ATOM 721 O PHE A 45 -3.401 -3.995 9.257 1.00 5.45 O ATOM 722 CB PHE A 45 -3.953 -2.363 6.802 1.00 5.51 C ATOM 723 CG PHE A 45 -5.089 -1.475 7.181 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.964 -0.106 7.195 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.228 -2.038 7.708 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.038 0.739 7.344 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.233 -1.204 8.137 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.160 0.142 7.868 1.00 6.84 C ATOM 0 H PHE A 45 -1.731 -3.946 7.340 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.557 -1.209 7.974 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.585 -2.088 5.813 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -4.298 -3.395 6.738 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.980 0.324 7.084 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -6.330 -3.111 7.783 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.003 1.784 7.072 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.075 -1.604 8.682 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.022 0.758 8.078 1.00 6.84 H new ATOM 738 N ALA A 46 -3.374 -1.977 10.229 1.00 6.53 N ATOM 739 CA ALA A 46 -3.553 -2.372 11.591 1.00 7.15 C ATOM 740 C ALA A 46 -2.340 -3.147 11.977 1.00 9.00 C ATOM 741 O ALA A 46 -1.263 -2.618 12.247 1.00 11.15 O ATOM 742 CB ALA A 46 -4.896 -3.085 11.823 1.00 8.99 C ATOM 0 H ALA A 46 -3.358 -0.962 10.130 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.633 -1.510 12.253 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.983 -3.364 12.873 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.714 -2.416 11.557 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.944 -3.981 11.204 1.00 8.99 H new ATOM 748 N GLY A 47 -2.455 -4.487 12.001 1.00 9.35 N ATOM 749 CA GLY A 47 -1.321 -5.341 12.166 1.00 11.68 C ATOM 750 C GLY A 47 -1.195 -6.449 11.178 1.00 11.14 C ATOM 751 O GLY A 47 -0.467 -7.422 11.372 1.00 13.93 O ATOM 0 H GLY A 47 -3.342 -4.982 11.905 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.420 -4.730 12.116 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -1.358 -5.773 13.166 1.00 11.68 H new ATOM 755 N LYS A 48 -1.916 -6.329 10.050 1.00 10.47 N ATOM 756 CA LYS A 48 -1.987 -7.400 9.105 1.00 8.82 C ATOM 757 C LYS A 48 -1.099 -7.013 7.973 1.00 7.68 C ATOM 758 O LYS A 48 -1.024 -5.833 7.637 1.00 6.47 O ATOM 759 CB LYS A 48 -3.346 -7.621 8.419 1.00 9.74 C ATOM 760 CG LYS A 48 -4.405 -8.100 9.414 1.00 14.14 C ATOM 761 CD LYS A 48 -5.875 -8.112 8.989 1.00 16.32 C ATOM 762 CE LYS A 48 -6.456 -6.778 8.517 1.00 20.04 C ATOM 763 NZ LYS A 48 -7.936 -6.769 8.548 1.00 23.92 N ATOM 0 H LYS A 48 -2.447 -5.497 9.793 1.00 10.47 H new ATOM 0 HA LYS A 48 -1.740 -8.298 9.671 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -3.676 -6.692 7.954 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -3.237 -8.355 7.621 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -4.141 -9.115 9.712 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -4.326 -7.476 10.304 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -5.993 -8.840 8.186 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -6.471 -8.466 9.830 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -6.076 -5.975 9.149 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -6.115 -6.574 7.502 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -8.284 -5.846 8.220 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -8.301 -7.518 7.925 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -8.264 -6.937 9.521 1.00 23.92 H new ATOM 777 N GLN A 49 -0.347 -7.959 7.381 1.00 8.89 N ATOM 778 CA GLN A 49 0.357 -7.864 6.140 1.00 7.18 C ATOM 779 C GLN A 49 -0.488 -8.130 4.942 1.00 8.23 C ATOM 780 O GLN A 49 -1.065 -9.212 4.838 1.00 9.70 O ATOM 781 CB GLN A 49 1.606 -8.762 6.154 1.00 11.67 C ATOM 782 CG GLN A 49 2.836 -8.188 6.859 1.00 15.82 C ATOM 783 CD GLN A 49 3.984 -9.185 6.920 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.003 -10.193 6.215 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.918 -8.959 7.882 1.00 20.67 N ATOM 0 H GLN A 49 -0.222 -8.874 7.813 1.00 8.89 H new ATOM 0 HA GLN A 49 0.668 -6.823 6.048 1.00 7.18 H new ATOM 0 HB2 GLN A 49 1.345 -9.706 6.632 1.00 11.67 H new ATOM 0 HB3 GLN A 49 1.876 -8.991 5.123 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.165 -7.290 6.337 1.00 15.82 H new ATOM 0 HG3 GLN A 49 2.565 -7.887 7.871 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.872 -8.112 8.449 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.665 -9.636 8.037 1.00 20.67 H new ATOM 794 N LEU A 50 -0.573 -7.218 3.957 1.00 6.51 N ATOM 795 CA LEU A 50 -1.486 -7.469 2.886 1.00 7.41 C ATOM 796 C LEU A 50 -0.995 -8.153 1.656 1.00 8.27 C ATOM 797 O LEU A 50 -0.116 -7.738 0.903 1.00 8.34 O ATOM 798 CB LEU A 50 -2.189 -6.184 2.418 1.00 7.13 C ATOM 799 CG LEU A 50 -2.831 -5.254 3.461 1.00 7.53 C ATOM 800 CD1 LEU A 50 -3.481 -5.908 4.693 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.868 -4.132 3.884 1.00 8.14 C ATOM 0 H LEU A 50 -0.040 -6.350 3.899 1.00 6.51 H new ATOM 0 HA LEU A 50 -2.147 -8.183 3.378 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -1.460 -5.596 1.860 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.969 -6.475 1.715 1.00 7.13 H new ATOM 0 HG LEU A 50 -3.681 -4.843 2.917 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.892 -5.134 5.341 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -4.281 -6.575 4.371 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.731 -6.479 5.240 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.354 -3.494 4.622 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -0.969 -4.569 4.319 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.597 -3.537 3.012 1.00 8.14 H new ATOM 813 N GLU A 51 -1.457 -9.397 1.434 1.00 9.43 N ATOM 814 CA GLU A 51 -0.987 -10.096 0.279 1.00 11.90 C ATOM 815 C GLU A 51 -1.270 -9.575 -1.088 1.00 11.49 C ATOM 816 O GLU A 51 -2.375 -9.081 -1.305 1.00 9.88 O ATOM 817 CB GLU A 51 -1.429 -11.563 0.406 1.00 16.56 C ATOM 818 CG GLU A 51 -0.599 -12.506 -0.468 1.00 26.06 C ATOM 819 CD GLU A 51 -0.901 -13.952 -0.104 1.00 29.86 C ATOM 820 OE1 GLU A 51 -2.120 -14.259 -0.194 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.051 -14.692 0.263 1.00 32.13 O ATOM 0 H GLU A 51 -2.123 -9.899 2.021 1.00 9.43 H new ATOM 0 HA GLU A 51 0.091 -9.941 0.315 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.348 -11.874 1.448 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -2.480 -11.647 0.129 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.824 -12.332 -1.520 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.463 -12.302 -0.331 1.00 26.06 H new ATOM 828 N ASP A 52 -0.294 -9.658 -2.010 1.00 12.71 N ATOM 829 CA ASP A 52 -0.165 -8.984 -3.265 1.00 16.56 C ATOM 830 C ASP A 52 -1.331 -8.990 -4.193 1.00 15.83 C ATOM 831 O ASP A 52 -1.747 -7.969 -4.739 1.00 17.21 O ATOM 832 CB ASP A 52 1.085 -9.534 -3.971 1.00 21.05 C ATOM 833 CG ASP A 52 2.206 -9.622 -2.945 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.839 -8.558 -2.715 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.519 -10.691 -2.357 1.00 28.37 O ATOM 0 H ASP A 52 0.502 -10.276 -1.851 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.090 -7.928 -3.006 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.881 -10.516 -4.397 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.374 -8.883 -4.796 1.00 21.05 H new ATOM 840 N GLY A 53 -1.925 -10.156 -4.505 1.00 15.00 N ATOM 841 CA GLY A 53 -3.024 -10.313 -5.407 1.00 11.77 C ATOM 842 C GLY A 53 -4.380 -10.321 -4.790 1.00 11.10 C ATOM 843 O GLY A 53 -5.329 -10.677 -5.488 1.00 11.25 O ATOM 0 H GLY A 53 -1.619 -11.042 -4.103 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.985 -9.507 -6.140 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.890 -11.247 -5.953 1.00 11.77 H new ATOM 847 N ARG A 54 -4.623 -9.841 -3.558 1.00 8.53 N ATOM 848 CA ARG A 54 -5.900 -9.886 -2.915 1.00 9.05 C ATOM 849 C ARG A 54 -6.560 -8.564 -3.108 1.00 8.96 C ATOM 850 O ARG A 54 -5.925 -7.511 -3.137 1.00 11.60 O ATOM 851 CB ARG A 54 -5.783 -10.240 -1.422 1.00 7.97 C ATOM 852 CG ARG A 54 -5.338 -11.671 -1.113 1.00 9.62 C ATOM 853 CD ARG A 54 -5.661 -12.133 0.309 1.00 12.20 C ATOM 854 NE ARG A 54 -4.682 -13.180 0.713 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.588 -13.588 2.013 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.489 -13.244 2.979 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.417 -14.217 2.321 1.00 25.50 N ATOM 0 H ARG A 54 -3.901 -9.404 -2.986 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.503 -10.676 -3.364 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.077 -9.551 -0.958 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.751 -10.070 -0.950 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.815 -12.349 -1.821 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.263 -11.748 -1.273 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.616 -11.290 0.998 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -6.676 -12.529 0.355 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.073 -13.598 0.009 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.285 -12.651 2.746 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.366 -13.580 3.934 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.704 -14.346 1.604 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.255 -14.558 3.269 1.00 25.50 H new ATOM 871 N THR A 55 -7.895 -8.445 -3.214 1.00 9.05 N ATOM 872 CA THR A 55 -8.597 -7.213 -3.398 1.00 9.03 C ATOM 873 C THR A 55 -8.705 -6.481 -2.105 1.00 8.15 C ATOM 874 O THR A 55 -8.641 -6.996 -0.989 1.00 5.91 O ATOM 875 CB THR A 55 -9.986 -7.343 -3.950 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.770 -8.220 -3.156 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.942 -7.904 -5.382 1.00 11.71 C ATOM 0 H THR A 55 -8.518 -9.252 -3.169 1.00 9.05 H new ATOM 0 HA THR A 55 -8.001 -6.676 -4.136 1.00 9.03 H new ATOM 0 HB THR A 55 -10.432 -6.349 -3.946 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.629 -7.795 -2.951 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.957 -7.993 -5.769 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.368 -7.231 -6.019 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.470 -8.886 -5.374 1.00 11.71 H new ATOM 885 N LEU A 56 -8.769 -5.141 -2.192 1.00 6.91 N ATOM 886 CA LEU A 56 -8.888 -4.266 -1.067 1.00 8.29 C ATOM 887 C LEU A 56 -10.182 -4.425 -0.346 1.00 8.05 C ATOM 888 O LEU A 56 -10.227 -4.368 0.882 1.00 10.17 O ATOM 889 CB LEU A 56 -8.586 -2.819 -1.494 1.00 6.60 C ATOM 890 CG LEU A 56 -7.105 -2.465 -1.706 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.039 -1.142 -2.488 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.227 -2.367 -0.447 1.00 9.85 C ATOM 0 H LEU A 56 -8.737 -4.646 -3.083 1.00 6.91 H new ATOM 0 HA LEU A 56 -8.138 -4.549 -0.328 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.122 -2.617 -2.422 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.993 -2.147 -0.738 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.680 -3.308 -2.251 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.997 -0.868 -2.652 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.538 -1.262 -3.449 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.535 -0.357 -1.917 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.207 -2.112 -0.734 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.622 -1.595 0.213 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.229 -3.325 0.073 1.00 9.85 H new ATOM 904 N SER A 57 -11.219 -4.792 -1.120 1.00 8.92 N ATOM 905 CA SER A 57 -12.542 -5.200 -0.762 1.00 9.00 C ATOM 906 C SER A 57 -12.539 -6.409 0.108 1.00 9.44 C ATOM 907 O SER A 57 -13.173 -6.437 1.161 1.00 10.91 O ATOM 908 CB SER A 57 -13.476 -5.474 -1.952 1.00 10.32 C ATOM 909 OG SER A 57 -12.948 -6.283 -2.993 1.00 13.59 O ATOM 0 H SER A 57 -11.109 -4.802 -2.134 1.00 8.92 H new ATOM 0 HA SER A 57 -12.933 -4.337 -0.223 1.00 9.00 H new ATOM 0 HB2 SER A 57 -14.381 -5.950 -1.574 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.774 -4.517 -2.380 1.00 10.32 H new ATOM 0 HG SER A 57 -13.623 -6.394 -3.695 1.00 13.59 H new ATOM 915 N ASP A 58 -11.748 -7.462 -0.164 1.00 9.11 N ATOM 916 CA ASP A 58 -11.566 -8.600 0.682 1.00 7.91 C ATOM 917 C ASP A 58 -11.025 -8.358 2.049 1.00 9.12 C ATOM 918 O ASP A 58 -11.502 -8.804 3.092 1.00 8.61 O ATOM 919 CB ASP A 58 -10.771 -9.682 -0.069 1.00 8.41 C ATOM 920 CG ASP A 58 -10.762 -11.119 0.430 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.837 -11.702 0.734 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.627 -11.637 0.611 1.00 10.05 O ATOM 0 H ASP A 58 -11.204 -7.522 -1.025 1.00 9.11 H new ATOM 0 HA ASP A 58 -12.577 -8.943 0.900 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -11.141 -9.700 -1.094 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.734 -9.349 -0.110 1.00 8.41 H new ATOM 927 N TYR A 59 -10.034 -7.451 2.108 1.00 7.97 N ATOM 928 CA TYR A 59 -9.401 -6.965 3.295 1.00 8.45 C ATOM 929 C TYR A 59 -10.252 -5.964 3.997 1.00 10.98 C ATOM 930 O TYR A 59 -10.097 -5.787 5.205 1.00 12.95 O ATOM 931 CB TYR A 59 -8.044 -6.307 2.994 1.00 7.94 C ATOM 932 CG TYR A 59 -6.958 -7.327 3.029 1.00 6.91 C ATOM 933 CD1 TYR A 59 -6.642 -8.071 4.142 1.00 6.98 C ATOM 934 CD2 TYR A 59 -6.300 -7.530 1.839 1.00 4.59 C ATOM 935 CE1 TYR A 59 -5.643 -9.010 4.046 1.00 6.52 C ATOM 936 CE2 TYR A 59 -5.265 -8.433 1.781 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.930 -9.184 2.883 1.00 6.76 C ATOM 938 OH TYR A 59 -3.888 -10.135 2.866 1.00 7.63 O ATOM 0 H TYR A 59 -9.648 -7.027 1.264 1.00 7.97 H new ATOM 0 HA TYR A 59 -9.250 -7.837 3.931 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -8.073 -5.829 2.015 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.841 -5.524 3.725 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -7.168 -7.920 5.073 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.594 -6.983 0.955 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -5.413 -9.625 4.903 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.710 -8.554 0.862 1.00 5.39 H new ATOM 0 HH TYR A 59 -4.251 -11.022 3.072 1.00 7.63 H new ATOM 948 N ASN A 60 -11.188 -5.365 3.240 1.00 12.38 N ATOM 949 CA ASN A 60 -12.093 -4.307 3.566 1.00 13.94 C ATOM 950 C ASN A 60 -11.496 -3.033 4.057 1.00 14.16 C ATOM 951 O ASN A 60 -11.824 -2.432 5.079 1.00 14.26 O ATOM 952 CB ASN A 60 -13.208 -4.879 4.458 1.00 19.23 C ATOM 953 CG ASN A 60 -14.483 -4.052 4.381 1.00 22.65 C ATOM 954 OD1 ASN A 60 -14.798 -3.579 3.290 1.00 25.45 O ATOM 955 ND2 ASN A 60 -15.355 -4.063 5.424 1.00 24.09 N ATOM 0 H ASN A 60 -11.324 -5.665 2.275 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.518 -3.953 2.627 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -13.423 -5.904 4.157 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.862 -4.916 5.491 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -16.291 -3.674 5.310 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -15.073 -4.460 6.320 1.00 24.09 H new ATOM 962 N ILE A 61 -10.545 -2.498 3.271 1.00 11.08 N ATOM 963 CA ILE A 61 -10.023 -1.167 3.311 1.00 11.78 C ATOM 964 C ILE A 61 -11.054 -0.146 2.974 1.00 13.74 C ATOM 965 O ILE A 61 -11.555 -0.198 1.851 1.00 14.60 O ATOM 966 CB ILE A 61 -8.758 -1.159 2.505 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.858 -2.333 2.928 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.118 0.239 2.526 1.00 13.29 C ATOM 969 CD1 ILE A 61 -7.416 -2.345 4.390 1.00 11.42 C ATOM 0 H ILE A 61 -10.101 -3.052 2.539 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.750 -0.861 4.321 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.960 -1.339 1.449 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -8.387 -3.263 2.721 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.967 -2.327 2.300 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.201 0.228 1.937 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.813 0.964 2.102 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.885 0.517 3.554 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.787 -3.216 4.573 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.852 -1.438 4.607 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -8.294 -2.389 5.035 1.00 11.42 H new ATOM 981 N GLN A 62 -11.322 0.812 3.879 1.00 13.97 N ATOM 982 CA GLN A 62 -12.256 1.888 3.752 1.00 15.52 C ATOM 983 C GLN A 62 -11.586 3.141 3.305 1.00 13.94 C ATOM 984 O GLN A 62 -10.384 3.384 3.400 1.00 12.15 O ATOM 985 CB GLN A 62 -12.955 2.136 5.100 1.00 19.53 C ATOM 986 CG GLN A 62 -13.802 0.937 5.530 1.00 26.38 C ATOM 987 CD GLN A 62 -14.508 1.136 6.864 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.954 1.480 7.907 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.866 1.099 6.822 1.00 32.71 N ATOM 0 H GLN A 62 -10.842 0.834 4.779 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.991 1.604 2.999 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.207 2.345 5.864 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.588 3.020 5.024 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.547 0.735 4.761 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.163 0.056 5.594 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.342 0.816 5.965 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.409 1.354 7.647 1.00 32.71 H new ATOM 998 N LYS A 63 -12.300 4.200 2.884 1.00 11.73 N ATOM 999 CA LYS A 63 -11.770 5.482 2.534 1.00 11.97 C ATOM 1000 C LYS A 63 -11.262 6.404 3.588 1.00 10.41 C ATOM 1001 O LYS A 63 -11.806 6.388 4.691 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.759 6.317 1.703 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.004 6.969 2.306 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.882 7.496 1.169 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.208 8.104 1.631 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.982 9.279 2.503 1.00 25.97 N ATOM 0 H LYS A 63 -13.314 4.158 2.782 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.889 5.134 1.994 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.180 7.119 1.245 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.106 5.673 0.895 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.556 6.246 2.906 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.719 7.784 2.972 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.324 8.249 0.613 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.091 6.679 0.478 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.798 8.400 0.763 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.787 7.354 2.170 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.897 9.691 2.774 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.469 8.983 3.358 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.421 9.989 1.991 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.209 7.170 3.252 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.469 8.065 4.087 1.00 10.94 C ATOM 1022 C GLU A 64 -8.749 7.436 5.229 1.00 9.74 C ATOM 1023 O GLU A 64 -8.336 8.036 6.220 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.315 9.226 4.635 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.939 10.008 3.478 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.350 11.393 3.956 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.512 11.506 4.431 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -10.588 12.345 3.640 1.00 32.61 O ATOM 0 H GLU A 64 -9.841 7.160 2.301 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.718 8.442 3.393 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.098 8.840 5.288 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.693 9.887 5.239 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.226 10.093 2.658 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.807 9.474 3.092 1.00 24.16 H new ATOM 1035 N SER A 65 -8.573 6.118 5.023 1.00 6.85 N ATOM 1036 CA SER A 65 -7.727 5.345 5.878 1.00 6.90 C ATOM 1037 C SER A 65 -6.274 5.266 5.556 1.00 4.72 C ATOM 1038 O SER A 65 -5.914 5.313 4.381 1.00 3.91 O ATOM 1039 CB SER A 65 -8.311 3.937 6.085 1.00 7.28 C ATOM 1040 OG SER A 65 -7.946 3.546 7.400 1.00 10.56 O ATOM 0 H SER A 65 -9.014 5.591 4.269 1.00 6.85 H new ATOM 0 HA SER A 65 -7.732 5.926 6.800 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.395 3.944 5.968 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.915 3.239 5.347 1.00 7.28 H new ATOM 0 HG SER A 65 -7.629 2.619 7.389 1.00 10.56 H new ATOM 1046 N THR A 66 -5.413 5.249 6.589 1.00 4.48 N ATOM 1047 CA THR A 66 -3.987 5.182 6.504 1.00 3.80 C ATOM 1048 C THR A 66 -3.314 3.853 6.535 1.00 4.60 C ATOM 1049 O THR A 66 -3.389 3.237 7.597 1.00 5.33 O ATOM 1050 CB THR A 66 -3.311 6.018 7.550 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.415 7.407 7.278 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.779 5.888 7.581 1.00 3.40 C ATOM 0 H THR A 66 -5.739 5.285 7.555 1.00 4.48 H new ATOM 0 HA THR A 66 -3.863 5.558 5.488 1.00 3.80 H new ATOM 0 HB THR A 66 -3.804 5.667 8.457 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.963 7.913 7.985 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.375 6.527 8.367 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.506 4.852 7.780 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.368 6.193 6.619 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.601 3.423 5.479 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.787 2.247 5.481 1.00 3.85 C ATOM 1062 C LEU A 67 -0.394 2.648 5.826 1.00 3.80 C ATOM 1063 O LEU A 67 0.205 3.525 5.205 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.776 1.471 4.153 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.856 0.382 4.031 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.204 1.101 3.857 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.494 -0.515 2.835 1.00 8.12 C ATOM 0 H LEU A 67 -2.591 3.916 4.586 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.219 1.567 6.215 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.901 2.179 3.334 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.797 1.008 4.028 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.922 -0.259 4.910 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.001 0.363 3.766 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.393 1.734 4.724 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.175 1.716 2.958 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.245 -1.297 2.726 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.461 0.086 1.926 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.518 -0.970 3.004 1.00 8.12 H new ATOM 1079 N HIS A 68 0.313 1.794 6.587 1.00 2.94 N ATOM 1080 CA HIS A 68 1.724 1.950 6.761 1.00 4.17 C ATOM 1081 C HIS A 68 2.452 1.127 5.755 1.00 5.32 C ATOM 1082 O HIS A 68 2.153 -0.037 5.496 1.00 7.70 O ATOM 1083 CB HIS A 68 2.067 1.488 8.188 1.00 5.57 C ATOM 1084 CG HIS A 68 1.422 2.274 9.290 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.167 1.800 10.561 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.191 3.608 9.417 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.868 2.845 11.378 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.841 3.977 10.700 1.00 16.30 N ATOM 0 H HIS A 68 -0.090 0.998 7.081 1.00 2.94 H new ATOM 0 HA HIS A 68 2.021 2.989 6.620 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.778 0.442 8.293 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.148 1.534 8.317 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.273 4.307 8.598 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.678 2.760 12.438 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.614 4.910 11.045 1.00 16.30 H new ATOM 1096 N LEU A 69 3.479 1.727 5.127 1.00 5.29 N ATOM 1097 CA LEU A 69 4.487 1.090 4.339 1.00 3.97 C ATOM 1098 C LEU A 69 5.691 1.137 5.215 1.00 5.07 C ATOM 1099 O LEU A 69 5.955 2.231 5.711 1.00 4.34 O ATOM 1100 CB LEU A 69 4.717 1.797 2.992 1.00 6.08 C ATOM 1101 CG LEU A 69 5.924 1.388 2.131 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.693 1.581 0.623 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.132 2.264 2.502 1.00 6.87 C ATOM 0 H LEU A 69 3.613 2.737 5.175 1.00 5.29 H new ATOM 0 HA LEU A 69 4.213 0.074 4.053 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.820 1.656 2.389 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.802 2.865 3.192 1.00 6.08 H new ATOM 0 HG LEU A 69 6.089 0.329 2.329 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.584 1.273 0.076 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.844 0.976 0.304 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.487 2.631 0.418 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.990 1.977 1.894 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.892 3.311 2.319 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.372 2.125 3.556 1.00 6.87 H new ATOM 1115 N VAL A 70 6.444 0.037 5.398 1.00 4.29 N ATOM 1116 CA VAL A 70 7.794 -0.081 5.855 1.00 6.26 C ATOM 1117 C VAL A 70 8.543 -0.753 4.757 1.00 9.22 C ATOM 1118 O VAL A 70 8.053 -1.024 3.662 1.00 9.36 O ATOM 1119 CB VAL A 70 7.976 -0.815 7.150 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.295 0.074 8.204 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.454 -2.257 7.033 1.00 8.54 C ATOM 0 H VAL A 70 6.052 -0.883 5.199 1.00 4.29 H new ATOM 0 HA VAL A 70 8.166 0.918 6.080 1.00 6.26 H new ATOM 0 HB VAL A 70 9.015 -0.964 7.442 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.383 -0.393 9.185 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.777 1.051 8.222 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.241 0.194 7.953 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.595 -2.773 7.983 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.393 -2.241 6.783 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.003 -2.780 6.251 1.00 8.54 H new ATOM 1131 N LEU A 71 9.877 -0.913 4.820 1.00 12.71 N ATOM 1132 CA LEU A 71 10.660 -1.423 3.738 1.00 16.06 C ATOM 1133 C LEU A 71 11.060 -2.840 3.962 1.00 18.09 C ATOM 1134 O LEU A 71 11.297 -3.330 5.065 1.00 19.26 O ATOM 1135 CB LEU A 71 11.973 -0.639 3.570 1.00 17.10 C ATOM 1136 CG LEU A 71 11.759 0.734 2.912 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.018 1.605 3.065 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.359 0.617 1.431 1.00 17.51 C ATOM 0 H LEU A 71 10.427 -0.681 5.647 1.00 12.71 H new ATOM 0 HA LEU A 71 10.026 -1.329 2.857 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.438 -0.502 4.546 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.667 -1.224 2.966 1.00 17.10 H new ATOM 0 HG LEU A 71 10.929 1.214 3.430 1.00 19.37 H new ATOM 0 HD11 LEU A 71 12.850 2.573 2.594 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.234 1.749 4.124 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.863 1.110 2.586 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.220 1.614 1.012 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.145 0.099 0.882 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.428 0.055 1.349 1.00 17.51 H new ATOM 1150 N ARG A 72 11.055 -3.722 2.946 1.00 21.47 N ATOM 1151 CA ARG A 72 11.504 -5.061 3.171 1.00 25.83 C ATOM 1152 C ARG A 72 12.936 -5.097 2.763 1.00 27.74 C ATOM 1153 O ARG A 72 13.209 -4.784 1.605 1.00 30.65 O ATOM 1154 CB ARG A 72 10.732 -6.140 2.392 1.00 28.49 C ATOM 1155 CG ARG A 72 11.226 -7.584 2.490 1.00 31.79 C ATOM 1156 CD ARG A 72 10.389 -8.536 1.634 1.00 34.05 C ATOM 1157 NE ARG A 72 10.822 -9.922 1.969 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.289 -10.941 1.234 1.00 34.67 C ATOM 1159 NH1 ARG A 72 9.504 -10.856 0.120 1.00 35.02 N ATOM 1160 NH2 ARG A 72 10.474 -12.194 1.743 1.00 34.97 N ATOM 0 H ARG A 72 10.749 -3.517 1.995 1.00 21.47 H new ATOM 0 HA ARG A 72 11.341 -5.297 4.222 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.695 -6.118 2.728 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.732 -5.857 1.339 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.268 -7.633 2.173 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.194 -7.908 3.530 1.00 31.79 H new ATOM 0 HD2 ARG A 72 9.326 -8.404 1.838 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.537 -8.332 0.574 1.00 34.05 H new ATOM 0 HE ARG A 72 11.490 -10.102 2.718 1.00 35.08 H new ATOM 0 HH11 ARG A 72 9.251 -9.943 -0.257 1.00 35.02 H new ATOM 0 HH12 ARG A 72 9.171 -11.706 -0.335 1.00 35.02 H new ATOM 0 HH21 ARG A 72 10.983 -12.319 2.618 1.00 34.97 H new ATOM 0 HH22 ARG A 72 10.103 -13.005 1.248 1.00 34.97 H new ATOM 1174 N LEU A 73 13.907 -5.576 3.561 1.00 28.93 N ATOM 1175 CA LEU A 73 15.241 -5.742 3.072 1.00 30.76 C ATOM 1176 C LEU A 73 15.415 -7.159 2.646 1.00 32.18 C ATOM 1177 O LEU A 73 14.876 -8.137 3.162 1.00 32.31 O ATOM 1178 CB LEU A 73 16.263 -5.413 4.173 1.00 30.53 C ATOM 1179 CG LEU A 73 16.095 -4.004 4.766 1.00 30.16 C ATOM 1180 CD1 LEU A 73 17.291 -3.956 5.732 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.075 -2.820 3.784 1.00 29.57 C ATOM 0 H LEU A 73 13.771 -5.846 4.535 1.00 28.93 H new ATOM 0 HA LEU A 73 15.405 -5.066 2.233 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.173 -6.148 4.973 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.269 -5.509 3.764 1.00 30.53 H new ATOM 0 HG LEU A 73 15.109 -3.874 5.213 1.00 30.16 H new ATOM 0 HD11 LEU A 73 17.309 -2.993 6.242 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.196 -4.754 6.468 1.00 29.11 H new ATOM 0 HD13 LEU A 73 18.217 -4.087 5.172 1.00 29.11 H new ATOM 0 HD21 LEU A 73 15.951 -1.890 4.338 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.014 -2.790 3.231 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.246 -2.940 3.086 1.00 29.57 H new ATOM 1193 N ARG A 74 16.334 -7.340 1.681 1.00 33.82 N ATOM 1194 CA ARG A 74 16.819 -8.613 1.249 1.00 35.33 C ATOM 1195 C ARG A 74 17.586 -9.427 2.234 1.00 36.22 C ATOM 1196 O ARG A 74 18.602 -8.954 2.740 1.00 36.70 O ATOM 1197 CB ARG A 74 17.696 -8.403 0.002 1.00 36.91 C ATOM 1198 CG ARG A 74 16.937 -7.969 -1.254 1.00 38.62 C ATOM 1199 CD ARG A 74 17.702 -8.019 -2.578 1.00 39.75 C ATOM 1200 NE ARG A 74 18.738 -6.948 -2.568 1.00 41.13 N ATOM 1201 CZ ARG A 74 18.793 -6.037 -3.583 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.938 -5.984 -4.646 1.00 42.75 N ATOM 1203 NH2 ARG A 74 19.779 -5.093 -3.588 1.00 41.93 N ATOM 0 H ARG A 74 16.759 -6.561 1.178 1.00 33.82 H new ATOM 0 HA ARG A 74 15.917 -9.196 1.064 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.452 -7.652 0.230 1.00 36.91 H new ATOM 0 HB3 ARG A 74 18.224 -9.332 -0.213 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.052 -8.598 -1.350 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.587 -6.948 -1.103 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.168 -8.995 -2.709 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.019 -7.877 -3.415 1.00 39.75 H new ATOM 0 HE ARG A 74 19.408 -6.896 -1.801 1.00 41.13 H new ATOM 0 HH11 ARG A 74 17.181 -6.663 -4.726 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.056 -5.265 -5.360 1.00 42.75 H new ATOM 0 HH21 ARG A 74 20.468 -5.072 -2.837 1.00 41.93 H new ATOM 0 HH22 ARG A 74 19.826 -4.409 -4.343 1.00 41.93 H new ATOM 1217 N GLY A 75 17.087 -10.619 2.607 1.00 36.31 N ATOM 1218 CA GLY A 75 17.481 -11.356 3.767 1.00 36.07 C ATOM 1219 C GLY A 75 16.366 -12.088 4.431 1.00 36.16 C ATOM 1220 O GLY A 75 16.577 -13.037 5.186 1.00 36.26 O ATOM 0 H GLY A 75 16.366 -11.096 2.066 1.00 36.31 H new ATOM 0 HA2 GLY A 75 18.254 -12.071 3.485 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.929 -10.670 4.485 1.00 36.07 H new ATOM 1224 N GLY A 76 15.139 -11.546 4.348 1.00 36.05 N ATOM 1225 CA GLY A 76 14.006 -12.187 4.939 1.00 36.19 C ATOM 1226 C GLY A 76 12.753 -12.025 4.091 1.00 36.20 C ATOM 1227 O GLY A 76 12.112 -13.041 3.709 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.296 -10.893 3.780 1.00 36.27 O ATOM 0 H GLY A 76 14.931 -10.667 3.874 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.218 -13.248 5.073 1.00 36.19 H new ATOM 0 HA3 GLY A 76 13.829 -11.770 5.930 1.00 36.19 H new TER 1232 GLY A 76