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 125:sc= -0.0554 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 0.0635 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 170:sc= 1.1 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -179:sc= 0.933 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.000138 (180deg=-0.000138) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.43 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= -0.0326 K(o=-0.033,f=-2.6!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 0.512 (180deg=-0.682!) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.418 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.74 (180deg=0.994) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0867) USER MOD Single : A 31 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.44) 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=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.764 K(o=0.76,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.53) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.572 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 62 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.245 K(o=0.24,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.855 -7.132 -4.417 1.00 9.67 N ATOM 2 CA MET A 1 11.804 -7.413 -2.956 1.00 10.38 C ATOM 3 C MET A 1 10.386 -7.670 -2.443 1.00 9.62 C ATOM 4 O MET A 1 9.455 -7.018 -2.921 1.00 9.62 O ATOM 5 CB MET A 1 12.431 -6.200 -2.180 1.00 13.77 C ATOM 6 CG MET A 1 11.420 -5.068 -1.711 1.00 16.29 C ATOM 7 SD MET A 1 12.446 -3.702 -1.052 1.00 17.17 S ATOM 8 CE MET A 1 11.518 -2.178 -1.473 1.00 16.11 C ATOM 0 H1 MET A 1 12.846 -7.117 -4.733 1.00 9.67 H new ATOM 0 H2 MET A 1 11.338 -7.873 -4.931 1.00 9.67 H new ATOM 0 H3 MET A 1 11.417 -6.208 -4.608 1.00 9.67 H new ATOM 0 HA MET A 1 12.372 -8.326 -2.781 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.945 -6.586 -1.300 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.188 -5.741 -2.816 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.806 -4.726 -2.544 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.740 -5.446 -0.948 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.066 -1.307 -1.112 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.401 -2.111 -2.555 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.535 -2.209 -1.003 1.00 16.11 H new ATOM 20 N GLN A 2 10.161 -8.604 -1.513 1.00 9.27 N ATOM 21 CA GLN A 2 8.858 -8.844 -0.944 1.00 9.07 C ATOM 22 C GLN A 2 8.410 -7.692 -0.038 1.00 8.72 C ATOM 23 O GLN A 2 9.249 -7.119 0.674 1.00 8.22 O ATOM 24 CB GLN A 2 8.918 -10.126 -0.068 1.00 14.46 C ATOM 25 CG GLN A 2 9.273 -11.423 -0.865 1.00 17.01 C ATOM 26 CD GLN A 2 9.090 -12.674 -0.008 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.028 -13.237 0.196 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.226 -13.218 0.563 1.00 19.49 N ATOM 0 H GLN A 2 10.891 -9.211 -1.141 1.00 9.27 H new ATOM 0 HA GLN A 2 8.153 -8.945 -1.769 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.658 -9.982 0.719 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.954 -10.265 0.422 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.641 -11.492 -1.751 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.304 -11.367 -1.213 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.133 -12.776 0.415 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.157 -14.062 1.132 1.00 19.49 H new ATOM 37 N ILE A 3 7.113 -7.395 -0.064 1.00 5.87 N ATOM 38 CA ILE A 3 6.511 -6.662 0.980 1.00 5.07 C ATOM 39 C ILE A 3 5.238 -7.376 1.310 1.00 4.01 C ATOM 40 O ILE A 3 4.711 -8.203 0.576 1.00 4.61 O ATOM 41 CB ILE A 3 6.225 -5.173 0.615 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.414 -5.009 -0.710 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.554 -4.456 0.399 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.793 -3.612 -0.907 1.00 10.83 C ATOM 0 H ILE A 3 6.478 -7.666 -0.815 1.00 5.87 H new ATOM 0 HA ILE A 3 7.194 -6.615 1.828 1.00 5.07 H new ATOM 0 HB ILE A 3 5.642 -4.759 1.438 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.071 -5.223 -1.553 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.618 -5.753 -0.729 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.367 -3.413 0.143 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.147 -4.505 1.313 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.099 -4.937 -0.413 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.248 -3.586 -1.851 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.108 -3.399 -0.087 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.583 -2.862 -0.923 1.00 10.83 H new ATOM 56 N PHE A 4 4.663 -6.984 2.469 1.00 4.55 N ATOM 57 CA PHE A 4 3.395 -7.501 2.929 1.00 4.68 C ATOM 58 C PHE A 4 2.347 -6.403 2.926 1.00 5.30 C ATOM 59 O PHE A 4 2.619 -5.282 3.411 1.00 5.58 O ATOM 60 CB PHE A 4 3.470 -8.269 4.318 1.00 4.83 C ATOM 61 CG PHE A 4 4.528 -9.379 4.391 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.458 -10.503 3.531 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.637 -9.256 5.213 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.560 -11.397 3.487 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.748 -10.113 5.203 1.00 10.61 C ATOM 66 CZ PHE A 4 6.692 -11.140 4.262 1.00 8.90 C ATOM 0 H PHE A 4 5.081 -6.299 3.098 1.00 4.55 H new ATOM 0 HA PHE A 4 3.094 -8.270 2.217 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.672 -7.544 5.106 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.493 -8.705 4.528 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.584 -10.676 2.921 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.647 -8.436 5.916 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.523 -12.273 2.856 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.584 -9.986 5.874 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.563 -11.764 4.127 1.00 8.90 H new ATOM 76 N VAL A 5 1.117 -6.674 2.337 1.00 4.44 N ATOM 77 CA VAL A 5 -0.031 -5.821 2.545 1.00 3.87 C ATOM 78 C VAL A 5 -0.931 -6.623 3.479 1.00 4.93 C ATOM 79 O VAL A 5 -1.299 -7.760 3.245 1.00 6.84 O ATOM 80 CB VAL A 5 -0.692 -5.373 1.272 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.011 -4.534 1.530 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.301 -4.587 0.485 1.00 9.13 C ATOM 0 H VAL A 5 0.941 -7.475 1.731 1.00 4.44 H new ATOM 0 HA VAL A 5 0.245 -4.864 2.988 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.009 -6.253 0.713 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.446 -4.237 0.576 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.727 -5.143 2.081 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.768 -3.644 2.111 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.156 -4.250 -0.445 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.622 -3.722 1.065 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.164 -5.213 0.259 1.00 9.13 H new ATOM 92 N LYS A 6 -1.279 -5.951 4.662 1.00 6.04 N ATOM 93 CA LYS A 6 -2.229 -6.586 5.596 1.00 6.12 C ATOM 94 C LYS A 6 -3.579 -5.891 5.441 1.00 6.57 C ATOM 95 O LYS A 6 -3.700 -4.746 5.719 1.00 5.76 O ATOM 96 CB LYS A 6 -1.646 -6.287 6.938 1.00 7.45 C ATOM 97 CG LYS A 6 -2.429 -6.894 8.118 1.00 11.12 C ATOM 98 CD LYS A 6 -2.246 -8.387 8.396 1.00 14.54 C ATOM 99 CE LYS A 6 -0.868 -8.625 8.998 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.661 -10.090 9.141 1.00 20.55 N ATOM 0 H LYS A 6 -0.926 -5.037 4.946 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.376 -7.654 5.435 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.622 -6.658 6.967 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.597 -5.206 7.067 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.154 -6.348 9.020 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.490 -6.712 7.946 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.019 -8.738 9.080 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.355 -8.956 7.473 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.097 -8.194 8.360 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.789 -8.135 9.968 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.331 -10.278 9.390 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.281 -10.457 9.891 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.888 -10.562 8.243 1.00 20.55 H new ATOM 114 N THR A 7 -4.644 -6.658 5.061 1.00 7.41 N ATOM 115 CA THR A 7 -5.988 -6.226 4.861 1.00 7.48 C ATOM 116 C THR A 7 -6.720 -5.797 6.146 1.00 8.75 C ATOM 117 O THR A 7 -6.281 -6.029 7.324 1.00 8.58 O ATOM 118 CB THR A 7 -6.820 -7.262 4.132 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.257 -8.384 4.967 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.064 -7.900 2.980 1.00 9.17 C ATOM 0 H THR A 7 -4.537 -7.657 4.884 1.00 7.41 H new ATOM 0 HA THR A 7 -5.885 -5.336 4.240 1.00 7.48 H new ATOM 0 HB THR A 7 -7.681 -6.684 3.796 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.788 -9.006 4.427 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.702 -8.635 2.489 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.778 -7.131 2.262 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.169 -8.392 3.360 1.00 9.17 H new ATOM 128 N LEU A 8 -7.851 -5.109 5.881 1.00 9.84 N ATOM 129 CA LEU A 8 -8.799 -4.679 6.922 1.00 14.15 C ATOM 130 C LEU A 8 -9.228 -5.858 7.840 1.00 17.37 C ATOM 131 O LEU A 8 -9.104 -5.707 9.060 1.00 17.01 O ATOM 132 CB LEU A 8 -10.098 -3.957 6.316 1.00 16.63 C ATOM 133 CG LEU A 8 -10.052 -3.048 5.122 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.457 -2.525 4.690 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.219 -1.780 5.371 1.00 18.59 C ATOM 0 H LEU A 8 -8.129 -4.838 4.938 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.261 -3.947 7.524 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.806 -4.749 6.073 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.535 -3.377 7.128 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.610 -3.677 4.350 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.352 -1.874 3.822 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.097 -3.370 4.435 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.905 -1.965 5.511 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.221 -1.161 4.474 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.650 -1.219 6.200 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.194 -2.060 5.616 1.00 18.59 H new ATOM 147 N THR A 9 -9.575 -7.028 7.259 1.00 18.33 N ATOM 148 CA THR A 9 -9.826 -8.243 8.131 1.00 19.24 C ATOM 149 C THR A 9 -8.614 -9.061 8.334 1.00 19.48 C ATOM 150 O THR A 9 -8.636 -10.165 8.797 1.00 23.14 O ATOM 151 CB THR A 9 -10.925 -9.247 7.643 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.669 -9.717 6.314 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.219 -8.427 7.532 1.00 19.70 C ATOM 0 H THR A 9 -9.688 -7.175 6.256 1.00 18.33 H new ATOM 0 HA THR A 9 -10.174 -7.762 9.045 1.00 19.24 H new ATOM 0 HB THR A 9 -10.963 -10.092 8.330 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.375 -10.342 6.046 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.030 -9.072 7.194 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.470 -8.009 8.507 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.077 -7.618 6.816 1.00 19.70 H new ATOM 161 N GLY A 10 -7.403 -8.510 8.148 1.00 19.43 N ATOM 162 CA GLY A 10 -6.147 -9.013 8.565 1.00 18.74 C ATOM 163 C GLY A 10 -5.507 -10.104 7.760 1.00 17.62 C ATOM 164 O GLY A 10 -4.645 -10.824 8.225 1.00 19.74 O ATOM 0 H GLY A 10 -7.304 -7.623 7.655 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.450 -8.175 8.600 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.259 -9.377 9.586 1.00 18.74 H new ATOM 168 N LYS A 11 -6.045 -10.416 6.561 1.00 13.56 N ATOM 169 CA LYS A 11 -5.297 -11.319 5.677 1.00 11.91 C ATOM 170 C LYS A 11 -3.996 -10.692 5.094 1.00 10.18 C ATOM 171 O LYS A 11 -3.921 -9.475 4.905 1.00 9.10 O ATOM 172 CB LYS A 11 -6.146 -11.710 4.430 1.00 13.43 C ATOM 173 CG LYS A 11 -5.521 -12.693 3.478 1.00 16.69 C ATOM 174 CD LYS A 11 -6.522 -13.083 2.389 1.00 17.92 C ATOM 175 CE LYS A 11 -6.726 -12.052 1.327 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.440 -12.588 0.163 1.00 21.93 N ATOM 0 H LYS A 11 -6.938 -10.078 6.203 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.054 -12.170 6.313 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.092 -12.125 4.777 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.380 -10.800 3.877 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.631 -12.256 3.025 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.199 -13.581 4.021 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.184 -14.007 1.919 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.483 -13.296 2.858 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.287 -11.213 1.740 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.758 -11.663 1.010 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.108 -11.875 -0.193 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.757 -12.826 -0.584 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.962 -13.444 0.440 1.00 21.93 H new ATOM 190 N THR A 12 -2.929 -11.499 4.950 1.00 9.63 N ATOM 191 CA THR A 12 -1.674 -10.851 4.534 1.00 9.85 C ATOM 192 C THR A 12 -1.387 -11.237 3.097 1.00 11.66 C ATOM 193 O THR A 12 -1.515 -12.407 2.648 1.00 12.33 O ATOM 194 CB THR A 12 -0.444 -11.317 5.323 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.748 -11.461 6.672 1.00 10.91 O ATOM 196 CG2 THR A 12 0.727 -10.327 5.231 1.00 9.63 C ATOM 0 H THR A 12 -2.902 -12.508 5.099 1.00 9.63 H new ATOM 0 HA THR A 12 -1.823 -9.783 4.696 1.00 9.85 H new ATOM 0 HB THR A 12 -0.153 -12.268 4.877 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.053 -11.745 7.159 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.571 -10.707 5.807 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.023 -10.210 4.189 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.419 -9.361 5.632 1.00 9.63 H new ATOM 204 N ILE A 13 -1.078 -10.211 2.298 1.00 10.42 N ATOM 205 CA ILE A 13 -0.903 -10.360 0.834 1.00 11.84 C ATOM 206 C ILE A 13 0.564 -10.137 0.578 1.00 10.55 C ATOM 207 O ILE A 13 1.040 -9.060 0.877 1.00 11.92 O ATOM 208 CB ILE A 13 -1.711 -9.272 0.143 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.237 -9.466 0.559 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.548 -9.521 -1.382 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.193 -8.382 0.065 1.00 16.46 C ATOM 0 H ILE A 13 -0.941 -9.258 2.635 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.231 -11.333 0.467 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.387 -8.267 0.411 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.580 -10.429 0.180 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.297 -9.511 1.646 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.108 -8.768 -1.936 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.493 -9.459 -1.650 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.928 -10.512 -1.632 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.205 -8.608 0.402 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.885 -7.416 0.464 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.172 -8.348 -1.024 1.00 16.46 H new ATOM 223 N THR A 14 1.336 -11.153 0.091 1.00 9.39 N ATOM 224 CA THR A 14 2.684 -10.958 -0.290 1.00 9.63 C ATOM 225 C THR A 14 2.830 -10.413 -1.716 1.00 11.20 C ATOM 226 O THR A 14 2.417 -11.041 -2.668 1.00 11.63 O ATOM 227 CB THR A 14 3.522 -12.264 -0.071 1.00 10.38 C ATOM 228 OG1 THR A 14 3.276 -12.737 1.240 1.00 16.30 O ATOM 229 CG2 THR A 14 4.993 -11.992 -0.352 1.00 11.66 C ATOM 0 H THR A 14 1.002 -12.109 -0.031 1.00 9.39 H new ATOM 0 HA THR A 14 3.089 -10.185 0.363 1.00 9.63 H new ATOM 0 HB THR A 14 3.224 -13.048 -0.767 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.857 -12.265 1.872 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.568 -12.905 -0.197 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.111 -11.659 -1.383 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.355 -11.217 0.323 1.00 11.66 H new ATOM 237 N LEU A 15 3.432 -9.204 -1.870 1.00 8.29 N ATOM 238 CA LEU A 15 3.606 -8.683 -3.219 1.00 9.03 C ATOM 239 C LEU A 15 5.083 -8.642 -3.487 1.00 8.59 C ATOM 240 O LEU A 15 5.851 -8.481 -2.504 1.00 7.79 O ATOM 241 CB LEU A 15 3.015 -7.252 -3.387 1.00 11.08 C ATOM 242 CG LEU A 15 1.493 -7.091 -3.174 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.239 -5.637 -3.060 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.781 -8.004 -4.129 1.00 15.27 C ATOM 0 H LEU A 15 3.781 -8.614 -1.115 1.00 8.29 H new ATOM 0 HA LEU A 15 3.075 -9.328 -3.920 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.527 -6.590 -2.688 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.255 -6.902 -4.391 1.00 11.08 H new ATOM 0 HG LEU A 15 1.043 -7.449 -2.248 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.174 -5.465 -2.908 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.796 -5.236 -2.214 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.560 -5.139 -3.975 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.296 -7.904 -3.993 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.044 -7.737 -5.152 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.077 -9.035 -3.936 1.00 15.27 H new ATOM 256 N GLU A 16 5.537 -8.642 -4.759 1.00 11.04 N ATOM 257 CA GLU A 16 6.862 -8.527 -5.242 1.00 11.50 C ATOM 258 C GLU A 16 7.034 -7.112 -5.872 1.00 10.13 C ATOM 259 O GLU A 16 6.389 -6.870 -6.901 1.00 9.83 O ATOM 260 CB GLU A 16 7.113 -9.579 -6.392 1.00 17.22 C ATOM 261 CG GLU A 16 8.340 -9.375 -7.270 1.00 23.33 C ATOM 262 CD GLU A 16 9.563 -9.425 -6.412 1.00 26.99 C ATOM 263 OE1 GLU A 16 10.098 -10.545 -6.211 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.048 -8.308 -6.071 1.00 28.90 O ATOM 0 H GLU A 16 4.879 -8.735 -5.533 1.00 11.04 H new ATOM 0 HA GLU A 16 7.556 -8.694 -4.418 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.185 -10.566 -5.936 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.235 -9.589 -7.037 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.387 -10.147 -8.038 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.280 -8.416 -7.785 1.00 23.33 H new ATOM 271 N VAL A 17 7.829 -6.223 -5.275 1.00 8.99 N ATOM 272 CA VAL A 17 7.937 -4.800 -5.644 1.00 8.85 C ATOM 273 C VAL A 17 9.376 -4.375 -5.769 1.00 8.04 C ATOM 274 O VAL A 17 10.298 -5.016 -5.246 1.00 8.99 O ATOM 275 CB VAL A 17 7.271 -3.904 -4.643 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.813 -4.324 -4.572 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.931 -3.995 -3.292 1.00 10.54 C ATOM 0 H VAL A 17 8.437 -6.476 -4.496 1.00 8.99 H new ATOM 0 HA VAL A 17 7.432 -4.701 -6.605 1.00 8.85 H new ATOM 0 HB VAL A 17 7.357 -2.862 -4.951 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.288 -3.696 -3.852 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.354 -4.212 -5.554 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.749 -5.366 -4.258 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.421 -3.332 -2.593 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.873 -5.021 -2.927 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.976 -3.698 -3.377 1.00 10.54 H new ATOM 287 N GLU A 18 9.587 -3.231 -6.508 1.00 7.29 N ATOM 288 CA GLU A 18 10.970 -2.652 -6.636 1.00 7.08 C ATOM 289 C GLU A 18 11.132 -1.277 -5.893 1.00 6.45 C ATOM 290 O GLU A 18 10.120 -0.571 -5.731 1.00 5.28 O ATOM 291 CB GLU A 18 11.431 -2.406 -8.042 1.00 10.28 C ATOM 292 CG GLU A 18 11.165 -3.550 -9.048 1.00 12.65 C ATOM 293 CD GLU A 18 11.937 -3.462 -10.326 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.155 -3.890 -10.251 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.445 -2.997 -11.357 1.00 18.17 O ATOM 0 H GLU A 18 8.857 -2.716 -7.000 1.00 7.29 H new ATOM 0 HA GLU A 18 11.578 -3.434 -6.182 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.945 -1.503 -8.411 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.502 -2.206 -8.023 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.398 -4.499 -8.565 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.101 -3.565 -9.284 1.00 12.65 H new ATOM 302 N PRO A 19 12.278 -0.841 -5.465 1.00 7.24 N ATOM 303 CA PRO A 19 12.386 0.459 -4.716 1.00 7.07 C ATOM 304 C PRO A 19 11.931 1.677 -5.551 1.00 6.65 C ATOM 305 O PRO A 19 11.563 2.683 -4.971 1.00 6.37 O ATOM 306 CB PRO A 19 13.867 0.473 -4.377 1.00 7.61 C ATOM 307 CG PRO A 19 14.128 -0.916 -3.945 1.00 8.16 C ATOM 308 CD PRO A 19 13.403 -1.730 -5.049 1.00 7.49 C ATOM 0 HA PRO A 19 11.735 0.530 -3.844 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.475 0.747 -5.239 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.092 1.189 -3.587 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.194 -1.139 -3.906 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.723 -1.119 -2.954 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.067 -1.952 -5.884 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.039 -2.685 -4.669 1.00 7.49 H new ATOM 316 N SER A 20 11.825 1.553 -6.874 1.00 6.80 N ATOM 317 CA SER A 20 11.354 2.599 -7.742 1.00 6.28 C ATOM 318 C SER A 20 9.884 2.551 -7.996 1.00 8.45 C ATOM 319 O SER A 20 9.363 3.408 -8.734 1.00 7.26 O ATOM 320 CB SER A 20 12.065 2.657 -9.134 1.00 8.57 C ATOM 321 OG SER A 20 12.061 1.415 -9.850 1.00 11.13 O ATOM 0 H SER A 20 12.073 0.697 -7.370 1.00 6.80 H new ATOM 0 HA SER A 20 11.606 3.495 -7.175 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.579 3.417 -9.746 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.097 2.976 -8.989 1.00 8.57 H new ATOM 0 HG SER A 20 12.520 1.531 -10.708 1.00 11.13 H new ATOM 327 N ASP A 21 9.189 1.613 -7.464 1.00 7.50 N ATOM 328 CA ASP A 21 7.745 1.458 -7.599 1.00 7.70 C ATOM 329 C ASP A 21 7.070 2.406 -6.596 1.00 7.08 C ATOM 330 O ASP A 21 7.609 2.609 -5.486 1.00 8.11 O ATOM 331 CB ASP A 21 7.350 -0.116 -7.382 1.00 11.00 C ATOM 332 CG ASP A 21 7.772 -0.998 -8.501 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.116 -0.556 -9.656 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.621 -2.229 -8.278 1.00 14.36 O ATOM 0 H ASP A 21 9.612 0.884 -6.889 1.00 7.50 H new ATOM 0 HA ASP A 21 7.394 1.728 -8.595 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.807 -0.472 -6.459 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.270 -0.196 -7.255 1.00 11.00 H new ATOM 339 N THR A 22 5.847 2.960 -6.892 1.00 5.37 N ATOM 340 CA THR A 22 5.089 3.880 -6.092 1.00 6.01 C ATOM 341 C THR A 22 4.077 3.241 -5.160 1.00 8.01 C ATOM 342 O THR A 22 3.664 2.064 -5.226 1.00 8.11 O ATOM 343 CB THR A 22 4.368 5.009 -6.845 1.00 8.92 C ATOM 344 OG1 THR A 22 3.391 4.591 -7.790 1.00 10.22 O ATOM 345 CG2 THR A 22 5.335 5.820 -7.682 1.00 9.65 C ATOM 0 H THR A 22 5.367 2.735 -7.763 1.00 5.37 H new ATOM 0 HA THR A 22 5.902 4.318 -5.513 1.00 6.01 H new ATOM 0 HB THR A 22 3.897 5.561 -6.031 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.988 5.378 -8.214 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.793 6.610 -8.201 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.092 6.264 -7.036 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.817 5.170 -8.412 1.00 9.65 H new ATOM 353 N ILE A 23 3.495 4.111 -4.282 1.00 8.32 N ATOM 354 CA ILE A 23 2.314 3.803 -3.516 1.00 9.92 C ATOM 355 C ILE A 23 1.016 3.568 -4.305 1.00 10.01 C ATOM 356 O ILE A 23 0.364 2.557 -3.993 1.00 8.71 O ATOM 357 CB ILE A 23 2.138 4.743 -2.372 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.475 4.735 -1.492 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.869 4.569 -1.593 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.717 3.461 -0.682 1.00 12.30 C ATOM 0 H ILE A 23 3.860 5.047 -4.106 1.00 8.32 H new ATOM 0 HA ILE A 23 2.519 2.810 -3.117 1.00 9.92 H new ATOM 0 HB ILE A 23 1.995 5.746 -2.775 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.327 4.892 -2.154 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.444 5.581 -0.806 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.836 5.299 -0.784 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.014 4.719 -2.252 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.833 3.563 -1.176 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.647 3.557 -0.122 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.890 3.308 0.011 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.787 2.608 -1.357 1.00 12.30 H new ATOM 372 N GLU A 24 0.662 4.370 -5.329 1.00 9.54 N ATOM 373 CA GLU A 24 -0.421 4.140 -6.299 1.00 11.81 C ATOM 374 C GLU A 24 -0.271 2.797 -7.045 1.00 11.14 C ATOM 375 O GLU A 24 -1.241 2.077 -7.287 1.00 10.62 O ATOM 376 CB GLU A 24 -0.448 5.317 -7.241 1.00 19.24 C ATOM 377 CG GLU A 24 -1.589 5.317 -8.259 1.00 27.76 C ATOM 378 CD GLU A 24 -1.353 6.489 -9.189 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.258 6.460 -9.804 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.074 7.488 -9.310 1.00 34.80 O ATOM 0 H GLU A 24 1.154 5.245 -5.509 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.373 4.062 -5.774 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.510 6.231 -6.651 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.498 5.350 -7.781 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.609 4.380 -8.816 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.553 5.410 -7.758 1.00 27.76 H new ATOM 387 N ASN A 25 0.953 2.448 -7.429 1.00 9.43 N ATOM 388 CA ASN A 25 1.295 1.169 -8.067 1.00 10.96 C ATOM 389 C ASN A 25 1.082 -0.009 -7.120 1.00 9.68 C ATOM 390 O ASN A 25 0.587 -1.072 -7.510 1.00 9.33 O ATOM 391 CB ASN A 25 2.729 1.253 -8.571 1.00 16.78 C ATOM 392 CG ASN A 25 3.180 0.170 -9.487 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.994 -0.676 -9.052 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.669 0.139 -10.718 1.00 24.70 N ATOM 0 H ASN A 25 1.760 3.059 -7.304 1.00 9.43 H new ATOM 0 HA ASN A 25 0.630 0.990 -8.912 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.854 2.207 -9.084 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.393 1.266 -7.707 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.938 -0.604 -11.363 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.009 0.858 -11.014 1.00 24.70 H new ATOM 401 N VAL A 26 1.451 0.135 -5.812 1.00 6.52 N ATOM 402 CA VAL A 26 1.086 -0.894 -4.827 1.00 5.53 C ATOM 403 C VAL A 26 -0.441 -0.937 -4.649 1.00 4.42 C ATOM 404 O VAL A 26 -0.963 -2.036 -4.571 1.00 3.40 O ATOM 405 CB VAL A 26 1.768 -0.661 -3.495 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.355 -1.713 -2.410 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.218 -0.825 -3.705 1.00 8.12 C ATOM 0 H VAL A 26 1.979 0.924 -5.440 1.00 6.52 H new ATOM 0 HA VAL A 26 1.429 -1.857 -5.206 1.00 5.53 H new ATOM 0 HB VAL A 26 1.482 0.331 -3.146 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.875 -1.496 -1.477 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.279 -1.663 -2.246 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.624 -2.713 -2.751 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.743 -0.664 -2.763 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.422 -1.833 -4.066 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.563 -0.099 -4.442 1.00 8.12 H new ATOM 417 N LYS A 27 -1.171 0.217 -4.668 1.00 2.64 N ATOM 418 CA LYS A 27 -2.646 0.154 -4.568 1.00 4.14 C ATOM 419 C LYS A 27 -3.240 -0.612 -5.754 1.00 5.58 C ATOM 420 O LYS A 27 -4.145 -1.394 -5.650 1.00 4.11 O ATOM 421 CB LYS A 27 -3.232 1.561 -4.415 1.00 3.97 C ATOM 422 CG LYS A 27 -2.858 2.205 -3.087 1.00 7.45 C ATOM 423 CD LYS A 27 -3.542 3.574 -2.907 1.00 9.02 C ATOM 424 CE LYS A 27 -3.122 4.204 -1.559 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.549 5.618 -1.488 1.00 15.47 N ATOM 0 H LYS A 27 -0.779 1.155 -4.748 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.920 -0.403 -3.672 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.879 2.189 -5.233 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.318 1.510 -4.498 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.144 1.544 -2.268 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.776 2.328 -3.034 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.269 4.237 -3.728 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.625 3.455 -2.940 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.565 3.643 -0.736 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.040 4.139 -1.443 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.001 6.110 -0.753 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.385 6.077 -2.407 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.561 5.664 -1.254 1.00 15.47 H new ATOM 439 N ALA A 28 -2.729 -0.396 -6.963 1.00 6.61 N ATOM 440 CA ALA A 28 -3.133 -1.038 -8.129 1.00 7.74 C ATOM 441 C ALA A 28 -2.871 -2.568 -8.110 1.00 9.17 C ATOM 442 O ALA A 28 -3.726 -3.352 -8.584 1.00 11.45 O ATOM 443 CB ALA A 28 -2.399 -0.475 -9.351 1.00 7.68 C ATOM 0 H ALA A 28 -1.980 0.278 -7.123 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.206 -0.859 -8.190 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.734 -0.995 -10.248 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.615 0.589 -9.446 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.325 -0.618 -9.228 1.00 7.68 H new ATOM 449 N LYS A 29 -1.739 -2.970 -7.545 1.00 8.96 N ATOM 450 CA LYS A 29 -1.366 -4.392 -7.370 1.00 7.90 C ATOM 451 C LYS A 29 -2.333 -5.091 -6.438 1.00 6.92 C ATOM 452 O LYS A 29 -2.819 -6.185 -6.674 1.00 6.87 O ATOM 453 CB LYS A 29 0.090 -4.504 -6.900 1.00 10.28 C ATOM 454 CG LYS A 29 0.681 -5.908 -7.232 1.00 14.94 C ATOM 455 CD LYS A 29 2.209 -6.039 -7.025 1.00 19.69 C ATOM 456 CE LYS A 29 3.115 -5.113 -7.924 1.00 22.63 C ATOM 457 NZ LYS A 29 2.834 -5.425 -9.329 1.00 24.98 N ATOM 0 H LYS A 29 -1.038 -2.321 -7.187 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.436 -4.901 -8.331 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.690 -3.731 -7.379 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.143 -4.329 -5.826 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.180 -6.652 -6.613 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.448 -6.148 -8.269 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.433 -5.826 -5.980 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.492 -7.076 -7.207 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.908 -4.063 -7.719 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.169 -5.279 -7.701 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.503 -4.913 -9.939 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.937 -6.448 -9.485 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.862 -5.136 -9.561 1.00 24.98 H new ATOM 471 N ILE A 30 -2.711 -4.433 -5.311 1.00 4.57 N ATOM 472 CA ILE A 30 -3.820 -4.858 -4.439 1.00 5.58 C ATOM 473 C ILE A 30 -5.169 -4.854 -5.157 1.00 7.26 C ATOM 474 O ILE A 30 -6.081 -5.683 -4.878 1.00 9.46 O ATOM 475 CB ILE A 30 -3.781 -4.013 -3.150 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.443 -4.328 -2.429 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.992 -4.486 -2.253 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.323 -5.720 -1.961 1.00 2.00 C ATOM 0 H ILE A 30 -2.245 -3.586 -4.986 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.690 -5.903 -4.158 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.852 -2.944 -3.350 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.618 -4.112 -3.108 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.337 -3.659 -1.575 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.004 -3.913 -1.326 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.927 -4.327 -2.790 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.882 -5.546 -2.023 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.360 -5.857 -1.469 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.125 -5.937 -1.256 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.395 -6.397 -2.812 1.00 2.00 H new ATOM 490 N GLN A 31 -5.387 -3.954 -6.085 1.00 7.06 N ATOM 491 CA GLN A 31 -6.529 -3.968 -7.015 1.00 8.67 C ATOM 492 C GLN A 31 -6.471 -5.266 -7.771 1.00 10.90 C ATOM 493 O GLN A 31 -7.507 -5.964 -7.903 1.00 9.63 O ATOM 494 CB GLN A 31 -6.652 -2.729 -7.882 1.00 9.12 C ATOM 495 CG GLN A 31 -7.985 -2.648 -8.600 1.00 10.76 C ATOM 496 CD GLN A 31 -8.127 -1.480 -9.601 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.314 -0.580 -9.847 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.358 -1.463 -10.233 1.00 14.76 N ATOM 0 H GLN A 31 -4.764 -3.160 -6.232 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.461 -3.921 -6.452 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.524 -1.842 -7.262 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.847 -2.723 -8.617 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.149 -3.584 -9.134 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.776 -2.564 -7.855 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.040 -2.197 -10.042 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.584 -0.716 -10.890 1.00 14.76 H new ATOM 507 N ASP A 32 -5.319 -5.697 -8.374 1.00 10.93 N ATOM 508 CA ASP A 32 -5.321 -6.975 -9.020 1.00 14.01 C ATOM 509 C ASP A 32 -5.686 -8.154 -8.125 1.00 14.04 C ATOM 510 O ASP A 32 -6.451 -9.067 -8.424 1.00 13.39 O ATOM 511 CB ASP A 32 -3.943 -7.234 -9.683 1.00 18.01 C ATOM 512 CG ASP A 32 -3.502 -6.292 -10.711 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.299 -5.954 -11.647 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.299 -5.784 -10.716 1.00 25.17 O ATOM 0 H ASP A 32 -4.439 -5.182 -8.408 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.115 -6.917 -9.765 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.189 -7.251 -8.896 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.964 -8.230 -10.126 1.00 18.01 H new ATOM 519 N LYS A 33 -5.220 -8.115 -6.896 1.00 14.22 N ATOM 520 CA LYS A 33 -5.464 -9.205 -5.917 1.00 14.00 C ATOM 521 C LYS A 33 -6.832 -9.278 -5.207 1.00 12.37 C ATOM 522 O LYS A 33 -7.576 -10.267 -5.358 1.00 12.17 O ATOM 523 CB LYS A 33 -4.385 -8.996 -4.847 1.00 18.62 C ATOM 524 CG LYS A 33 -2.929 -9.159 -5.290 1.00 24.00 C ATOM 525 CD LYS A 33 -2.443 -10.616 -5.237 1.00 27.61 C ATOM 526 CE LYS A 33 -1.060 -10.888 -5.863 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.764 -12.300 -5.677 1.00 30.06 N ATOM 0 H LYS A 33 -4.664 -7.343 -6.528 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.443 -10.137 -6.482 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.504 -7.993 -4.436 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.573 -9.698 -4.034 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.821 -8.783 -6.307 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.291 -8.546 -4.654 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.417 -10.932 -4.194 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.178 -11.243 -5.742 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.063 -10.634 -6.923 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.297 -10.271 -5.389 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.166 -12.517 -6.090 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.752 -12.521 -4.661 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.494 -12.873 -6.147 1.00 30.06 H new ATOM 541 N GLU A 34 -7.287 -8.123 -4.622 1.00 10.11 N ATOM 542 CA GLU A 34 -8.455 -7.936 -3.831 1.00 10.07 C ATOM 543 C GLU A 34 -9.538 -7.073 -4.390 1.00 9.32 C ATOM 544 O GLU A 34 -10.578 -6.864 -3.747 1.00 11.61 O ATOM 545 CB GLU A 34 -8.168 -7.508 -2.347 1.00 14.77 C ATOM 546 CG GLU A 34 -7.108 -8.368 -1.579 1.00 18.75 C ATOM 547 CD GLU A 34 -7.447 -9.811 -1.448 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.515 -10.120 -0.908 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.577 -10.716 -1.856 1.00 25.19 O ATOM 0 H GLU A 34 -6.769 -7.250 -4.728 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.848 -8.952 -3.851 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.834 -6.470 -2.347 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.106 -7.542 -1.792 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.150 -8.280 -2.092 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.976 -7.949 -0.582 1.00 18.75 H new ATOM 556 N GLY A 35 -9.454 -6.464 -5.605 1.00 7.22 N ATOM 557 CA GLY A 35 -10.503 -5.784 -6.405 1.00 6.29 C ATOM 558 C GLY A 35 -10.835 -4.377 -6.021 1.00 6.93 C ATOM 559 O GLY A 35 -11.569 -3.721 -6.749 1.00 7.41 O ATOM 0 H GLY A 35 -8.559 -6.436 -6.094 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.190 -5.787 -7.449 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.415 -6.377 -6.344 1.00 6.29 H new ATOM 563 N ILE A 36 -10.205 -3.827 -4.892 1.00 5.86 N ATOM 564 CA ILE A 36 -10.406 -2.442 -4.488 1.00 6.07 C ATOM 565 C ILE A 36 -9.698 -1.447 -5.462 1.00 6.36 C ATOM 566 O ILE A 36 -8.479 -1.513 -5.578 1.00 6.18 O ATOM 567 CB ILE A 36 -9.990 -2.215 -2.973 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.410 -3.318 -1.991 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.650 -0.895 -2.506 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.775 -3.116 -0.590 1.00 9.49 C ATOM 0 H ILE A 36 -9.573 -4.351 -4.286 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.473 -2.228 -4.555 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.900 -2.205 -2.958 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.496 -3.329 -1.899 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.114 -4.289 -2.387 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.386 -0.704 -1.466 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.296 -0.072 -3.127 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.733 -0.978 -2.596 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.097 -3.917 0.075 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.689 -3.132 -0.677 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.092 -2.156 -0.182 1.00 9.49 H new ATOM 582 N PRO A 37 -10.253 -0.395 -6.114 1.00 8.65 N ATOM 583 CA PRO A 37 -9.507 0.637 -6.874 1.00 9.18 C ATOM 584 C PRO A 37 -8.698 1.499 -5.934 1.00 9.85 C ATOM 585 O PRO A 37 -9.119 1.482 -4.782 1.00 8.51 O ATOM 586 CB PRO A 37 -10.584 1.374 -7.605 1.00 11.42 C ATOM 587 CG PRO A 37 -11.838 1.156 -6.828 1.00 9.27 C ATOM 588 CD PRO A 37 -11.700 -0.199 -6.168 1.00 8.33 C ATOM 0 HA PRO A 37 -8.767 0.241 -7.570 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.350 2.436 -7.676 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.688 1.002 -8.624 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.974 1.939 -6.082 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.710 1.183 -7.482 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.146 -0.210 -5.173 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.192 -0.981 -6.746 1.00 8.33 H new ATOM 596 N PRO A 38 -7.602 2.153 -6.306 1.00 8.71 N ATOM 597 CA PRO A 38 -6.756 2.960 -5.434 1.00 9.08 C ATOM 598 C PRO A 38 -7.495 4.000 -4.757 1.00 9.28 C ATOM 599 O PRO A 38 -7.017 4.517 -3.721 1.00 6.50 O ATOM 600 CB PRO A 38 -5.642 3.462 -6.361 1.00 10.31 C ATOM 601 CG PRO A 38 -5.546 2.323 -7.443 1.00 10.81 C ATOM 602 CD PRO A 38 -6.965 1.792 -7.532 1.00 12.00 C ATOM 0 HA PRO A 38 -6.340 2.397 -4.598 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.891 4.424 -6.808 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.701 3.593 -5.827 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.202 2.710 -8.402 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.845 1.544 -7.144 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.489 2.223 -8.385 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.968 0.711 -7.669 1.00 12.00 H new ATOM 610 N ASP A 39 -8.665 4.396 -5.263 1.00 11.20 N ATOM 611 CA ASP A 39 -9.435 5.493 -4.710 1.00 14.96 C ATOM 612 C ASP A 39 -10.096 5.192 -3.381 1.00 13.99 C ATOM 613 O ASP A 39 -10.274 6.118 -2.647 1.00 13.75 O ATOM 614 CB ASP A 39 -10.530 5.900 -5.764 1.00 24.16 C ATOM 615 CG ASP A 39 -9.715 6.356 -7.029 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.883 7.293 -6.861 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.901 5.825 -8.146 1.00 35.55 O ATOM 0 H ASP A 39 -9.101 3.956 -6.074 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.735 6.304 -4.508 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.187 5.062 -5.997 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.162 6.705 -5.388 1.00 24.16 H new ATOM 622 N GLN A 40 -10.304 3.930 -3.116 1.00 11.60 N ATOM 623 CA GLN A 40 -10.885 3.508 -1.853 1.00 10.76 C ATOM 624 C GLN A 40 -9.791 3.018 -0.914 1.00 8.01 C ATOM 625 O GLN A 40 -10.061 2.430 0.123 1.00 8.96 O ATOM 626 CB GLN A 40 -11.925 2.482 -2.207 1.00 11.14 C ATOM 627 CG GLN A 40 -13.102 3.045 -3.155 1.00 14.85 C ATOM 628 CD GLN A 40 -14.128 1.937 -3.347 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.966 0.803 -2.945 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.310 2.286 -3.830 1.00 18.16 N ATOM 0 H GLN A 40 -10.081 3.167 -3.756 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.367 4.315 -1.301 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.439 1.644 -2.706 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.366 2.094 -1.289 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.568 3.921 -2.703 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.698 3.360 -4.117 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.461 3.235 -4.171 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.069 1.606 -3.861 1.00 18.16 H new ATOM 639 N GLN A 41 -8.484 3.279 -1.210 1.00 6.52 N ATOM 640 CA GLN A 41 -7.382 2.661 -0.433 1.00 3.87 C ATOM 641 C GLN A 41 -6.481 3.719 0.151 1.00 4.79 C ATOM 642 O GLN A 41 -6.012 4.689 -0.482 1.00 6.34 O ATOM 643 CB GLN A 41 -6.547 1.775 -1.367 1.00 4.20 C ATOM 644 CG GLN A 41 -7.116 0.475 -1.822 1.00 3.20 C ATOM 645 CD GLN A 41 -6.119 -0.346 -2.610 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.018 -0.572 -2.138 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.484 -0.797 -3.845 1.00 7.13 N ATOM 0 H GLN A 41 -8.179 3.897 -1.962 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.815 2.073 0.376 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.312 2.361 -2.255 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.603 1.564 -0.865 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.449 -0.096 -0.955 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.996 0.662 -2.438 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.414 -0.590 -4.209 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.827 -1.342 -4.404 1.00 7.13 H new ATOM 656 N ARG A 42 -6.143 3.614 1.427 1.00 5.73 N ATOM 657 CA ARG A 42 -5.031 4.366 2.015 1.00 6.97 C ATOM 658 C ARG A 42 -4.058 3.266 2.546 1.00 7.15 C ATOM 659 O ARG A 42 -4.506 2.177 2.981 1.00 7.33 O ATOM 660 CB ARG A 42 -5.355 5.314 3.129 1.00 13.23 C ATOM 661 CG ARG A 42 -6.051 6.601 2.663 1.00 21.27 C ATOM 662 CD ARG A 42 -6.134 7.688 3.736 1.00 26.14 C ATOM 663 NE ARG A 42 -6.454 9.046 3.141 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.579 9.675 3.427 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.363 9.391 4.444 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.961 10.751 2.776 1.00 36.39 N ATOM 0 H ARG A 42 -6.628 3.007 2.088 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.633 5.026 1.244 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.995 4.807 3.851 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.434 5.578 3.649 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.518 6.998 1.799 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.060 6.356 2.330 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.900 7.421 4.465 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.187 7.741 4.273 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.786 9.483 2.506 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.117 8.634 5.082 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.217 9.927 4.595 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.382 11.125 2.024 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.837 11.212 3.023 1.00 36.39 H new ATOM 680 N LEU A 43 -2.714 3.515 2.511 1.00 4.65 N ATOM 681 CA LEU A 43 -1.827 2.733 3.301 1.00 3.51 C ATOM 682 C LEU A 43 -1.101 3.448 4.463 1.00 5.56 C ATOM 683 O LEU A 43 -0.698 4.626 4.389 1.00 4.19 O ATOM 684 CB LEU A 43 -0.639 2.179 2.497 1.00 3.74 C ATOM 685 CG LEU A 43 -1.159 1.077 1.504 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.141 0.731 0.441 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.693 -0.217 2.135 1.00 6.41 C ATOM 0 H LEU A 43 -2.270 4.240 1.947 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.532 1.990 3.673 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.151 2.982 1.945 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.107 1.757 3.171 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.024 1.566 1.056 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.550 -0.035 -0.219 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.095 1.622 -0.140 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.766 0.355 0.914 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.021 -0.897 1.349 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.903 -0.691 2.718 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.535 0.017 2.787 1.00 6.41 H new ATOM 699 N ILE A 44 -1.013 2.707 5.592 1.00 4.58 N ATOM 700 CA ILE A 44 -0.297 3.251 6.753 1.00 5.55 C ATOM 701 C ILE A 44 0.950 2.378 6.959 1.00 5.46 C ATOM 702 O ILE A 44 0.907 1.143 7.193 1.00 6.04 O ATOM 703 CB ILE A 44 -1.141 3.268 8.017 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.384 4.146 7.715 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.287 3.859 9.159 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.272 4.402 9.021 1.00 13.90 C ATOM 0 H ILE A 44 -1.410 1.776 5.717 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.038 4.291 6.557 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.467 2.273 8.321 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.061 5.102 7.304 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.993 3.661 6.952 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.873 3.881 10.078 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.599 3.241 9.308 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.018 4.873 8.898 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.131 5.021 8.761 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.619 3.448 9.418 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.672 4.912 9.775 1.00 13.90 H new ATOM 718 N PHE A 45 2.110 3.031 6.874 1.00 6.75 N ATOM 719 CA PHE A 45 3.376 2.415 7.295 1.00 4.70 C ATOM 720 C PHE A 45 3.942 3.110 8.494 1.00 6.34 C ATOM 721 O PHE A 45 4.228 4.274 8.490 1.00 5.45 O ATOM 722 CB PHE A 45 4.398 2.553 6.064 1.00 5.51 C ATOM 723 CG PHE A 45 5.753 2.011 6.359 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.877 0.670 6.794 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.896 2.840 6.081 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.180 0.135 6.847 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.180 2.233 6.277 1.00 6.64 C ATOM 728 CZ PHE A 45 8.305 0.881 6.541 1.00 6.84 C ATOM 0 H PHE A 45 2.203 3.983 6.519 1.00 6.75 H new ATOM 0 HA PHE A 45 3.211 1.372 7.566 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.987 2.032 5.199 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.487 3.604 5.791 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.014 0.084 7.072 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.793 3.861 5.744 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.305 -0.898 7.138 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.068 2.844 6.217 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.276 0.410 6.509 1.00 6.84 H new ATOM 738 N ALA A 46 4.195 2.367 9.564 1.00 6.53 N ATOM 739 CA ALA A 46 4.676 2.797 10.863 1.00 7.15 C ATOM 740 C ALA A 46 3.958 4.004 11.434 1.00 9.00 C ATOM 741 O ALA A 46 4.561 4.984 11.866 1.00 11.15 O ATOM 742 CB ALA A 46 6.192 2.879 10.854 1.00 8.99 C ATOM 0 H ALA A 46 4.055 1.357 9.538 1.00 6.53 H new ATOM 0 HA ALA A 46 4.408 2.030 11.590 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.545 3.203 11.833 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.608 1.898 10.624 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.513 3.595 10.098 1.00 8.99 H new ATOM 748 N GLY A 47 2.640 3.920 11.384 1.00 9.35 N ATOM 749 CA GLY A 47 1.770 4.960 11.849 1.00 11.68 C ATOM 750 C GLY A 47 1.626 6.142 10.942 1.00 11.14 C ATOM 751 O GLY A 47 0.821 7.043 11.178 1.00 13.93 O ATOM 0 H GLY A 47 2.146 3.109 11.011 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.782 4.533 12.018 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.136 5.309 12.815 1.00 11.68 H new ATOM 755 N LYS A 48 2.406 6.168 9.820 1.00 10.47 N ATOM 756 CA LYS A 48 2.429 7.298 8.879 1.00 8.82 C ATOM 757 C LYS A 48 1.773 7.002 7.578 1.00 7.68 C ATOM 758 O LYS A 48 1.790 5.897 6.986 1.00 6.47 O ATOM 759 CB LYS A 48 3.809 7.855 8.464 1.00 9.74 C ATOM 760 CG LYS A 48 4.530 8.488 9.651 1.00 14.14 C ATOM 761 CD LYS A 48 5.624 9.385 9.052 1.00 16.32 C ATOM 762 CE LYS A 48 6.612 9.848 10.145 1.00 20.04 C ATOM 763 NZ LYS A 48 5.978 10.722 11.188 1.00 23.92 N ATOM 0 H LYS A 48 3.028 5.404 9.556 1.00 10.47 H new ATOM 0 HA LYS A 48 1.901 8.032 9.488 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.419 7.051 8.051 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.682 8.596 7.675 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.840 9.070 10.262 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.962 7.724 10.298 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.162 8.841 8.276 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.169 10.253 8.576 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.044 8.972 10.629 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.433 10.391 9.676 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.693 10.998 11.891 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.589 11.574 10.737 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.212 10.200 11.660 1.00 23.92 H new ATOM 777 N GLN A 49 1.055 8.050 7.099 1.00 8.89 N ATOM 778 CA GLN A 49 0.324 7.914 5.832 1.00 7.18 C ATOM 779 C GLN A 49 1.206 8.003 4.632 1.00 8.23 C ATOM 780 O GLN A 49 2.238 8.656 4.643 1.00 9.70 O ATOM 781 CB GLN A 49 -0.626 9.079 5.655 1.00 11.67 C ATOM 782 CG GLN A 49 -1.669 9.226 6.776 1.00 15.82 C ATOM 783 CD GLN A 49 -2.599 8.023 6.868 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.882 7.355 5.864 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.131 7.726 8.063 1.00 20.67 N ATOM 0 H GLN A 49 0.973 8.959 7.555 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.163 6.941 5.894 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.045 9.999 5.593 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.146 8.966 4.704 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.157 9.359 7.729 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.260 10.126 6.603 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.889 8.284 8.882 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.777 6.942 8.153 1.00 20.67 H new ATOM 794 N LEU A 50 0.810 7.424 3.499 1.00 6.51 N ATOM 795 CA LEU A 50 1.757 7.371 2.404 1.00 7.41 C ATOM 796 C LEU A 50 1.123 7.976 1.138 1.00 8.27 C ATOM 797 O LEU A 50 0.007 7.568 0.777 1.00 8.34 O ATOM 798 CB LEU A 50 2.141 5.834 2.083 1.00 7.13 C ATOM 799 CG LEU A 50 2.777 5.013 3.263 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.966 3.534 2.871 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.161 5.583 3.774 1.00 9.11 C ATOM 0 H LEU A 50 -0.106 7.010 3.325 1.00 6.51 H new ATOM 0 HA LEU A 50 2.647 7.932 2.689 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.239 5.318 1.754 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.838 5.823 1.245 1.00 7.13 H new ATOM 0 HG LEU A 50 2.064 5.105 4.082 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.408 2.990 3.706 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.999 3.097 2.624 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.626 3.468 2.006 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.533 4.961 4.588 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.881 5.578 2.956 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.025 6.604 4.131 1.00 9.11 H new ATOM 813 N GLU A 51 1.789 8.919 0.391 1.00 9.43 N ATOM 814 CA GLU A 51 1.317 9.658 -0.717 1.00 11.90 C ATOM 815 C GLU A 51 1.609 8.833 -1.990 1.00 11.49 C ATOM 816 O GLU A 51 2.696 8.354 -2.267 1.00 9.88 O ATOM 817 CB GLU A 51 1.960 11.092 -0.877 1.00 16.56 C ATOM 818 CG GLU A 51 1.791 12.112 0.278 1.00 26.06 C ATOM 819 CD GLU A 51 0.366 12.583 0.407 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.097 13.375 -0.452 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.355 12.095 1.328 1.00 32.13 O ATOM 0 H GLU A 51 2.754 9.165 0.612 1.00 9.43 H new ATOM 0 HA GLU A 51 0.253 9.829 -0.555 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.028 10.959 -1.048 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.546 11.542 -1.780 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.109 11.655 1.215 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.442 12.969 0.104 1.00 26.06 H new ATOM 828 N ASP A 52 0.488 8.569 -2.777 1.00 12.71 N ATOM 829 CA ASP A 52 0.331 7.942 -4.060 1.00 16.56 C ATOM 830 C ASP A 52 1.439 7.977 -5.103 1.00 15.83 C ATOM 831 O ASP A 52 1.844 6.919 -5.594 1.00 17.21 O ATOM 832 CB ASP A 52 -1.052 8.336 -4.617 1.00 21.05 C ATOM 833 CG ASP A 52 -2.209 7.759 -3.781 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.325 6.504 -3.824 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.969 8.453 -3.112 1.00 25.82 O ATOM 0 H ASP A 52 -0.427 8.853 -2.427 1.00 12.71 H new ATOM 0 HA ASP A 52 0.420 6.880 -3.832 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.134 9.423 -4.644 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.140 7.985 -5.645 1.00 21.05 H new ATOM 840 N GLY A 53 1.962 9.144 -5.408 1.00 15.00 N ATOM 841 CA GLY A 53 2.986 9.327 -6.353 1.00 11.77 C ATOM 842 C GLY A 53 4.342 9.129 -5.839 1.00 11.10 C ATOM 843 O GLY A 53 5.237 9.435 -6.664 1.00 11.25 O ATOM 0 H GLY A 53 1.656 10.014 -4.973 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.823 8.638 -7.182 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.910 10.336 -6.758 1.00 11.77 H new ATOM 847 N ARG A 54 4.602 8.773 -4.571 1.00 8.53 N ATOM 848 CA ARG A 54 5.864 8.619 -4.020 1.00 9.05 C ATOM 849 C ARG A 54 6.354 7.136 -4.083 1.00 8.96 C ATOM 850 O ARG A 54 5.563 6.179 -3.885 1.00 11.60 O ATOM 851 CB ARG A 54 5.846 9.006 -2.509 1.00 7.97 C ATOM 852 CG ARG A 54 5.267 10.436 -2.273 1.00 9.62 C ATOM 853 CD ARG A 54 6.205 11.626 -2.664 1.00 12.20 C ATOM 854 NE ARG A 54 5.639 12.714 -1.792 1.00 18.23 N ATOM 855 CZ ARG A 54 5.996 13.075 -0.566 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.994 12.420 0.070 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.424 14.060 0.082 1.00 23.38 N ATOM 0 H ARG A 54 3.857 8.584 -3.900 1.00 8.53 H new ATOM 0 HA ARG A 54 6.528 9.262 -4.599 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.250 8.279 -1.957 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.859 8.956 -2.111 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.339 10.529 -2.838 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.009 10.533 -1.218 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.252 11.419 -2.443 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.145 11.871 -3.725 1.00 12.20 H new ATOM 0 HE ARG A 54 4.873 13.249 -2.201 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.473 11.648 -0.393 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.267 12.699 1.012 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.668 14.587 -0.355 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.735 14.299 1.024 1.00 23.38 H new ATOM 871 N THR A 55 7.620 7.007 -4.416 1.00 9.05 N ATOM 872 CA THR A 55 8.378 5.768 -4.525 1.00 9.03 C ATOM 873 C THR A 55 8.632 5.074 -3.199 1.00 8.15 C ATOM 874 O THR A 55 8.758 5.719 -2.159 1.00 5.91 O ATOM 875 CB THR A 55 9.694 5.886 -5.261 1.00 11.15 C ATOM 876 OG1 THR A 55 10.505 6.938 -4.821 1.00 11.95 O ATOM 877 CG2 THR A 55 9.194 6.315 -6.675 1.00 11.71 C ATOM 0 H THR A 55 8.193 7.822 -4.635 1.00 9.05 H new ATOM 0 HA THR A 55 7.706 5.155 -5.125 1.00 9.03 H new ATOM 0 HB THR A 55 10.282 4.974 -5.160 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.385 6.589 -4.569 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.048 6.444 -7.339 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.535 5.546 -7.077 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.649 7.256 -6.598 1.00 11.71 H new ATOM 885 N LEU A 56 8.660 3.739 -3.148 1.00 6.91 N ATOM 886 CA LEU A 56 9.159 3.034 -1.969 1.00 8.29 C ATOM 887 C LEU A 56 10.506 3.492 -1.429 1.00 8.05 C ATOM 888 O LEU A 56 10.749 3.450 -0.230 1.00 10.17 O ATOM 889 CB LEU A 56 9.158 1.466 -2.201 1.00 6.60 C ATOM 890 CG LEU A 56 7.786 0.898 -2.629 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.060 -0.627 -2.614 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.647 1.330 -1.680 1.00 8.64 C ATOM 0 H LEU A 56 8.345 3.131 -3.904 1.00 6.91 H new ATOM 0 HA LEU A 56 8.449 3.303 -1.187 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.896 1.221 -2.965 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.474 0.972 -1.282 1.00 6.60 H new ATOM 0 HG LEU A 56 7.435 1.259 -3.596 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.155 -1.162 -2.903 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.860 -0.860 -3.317 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.358 -0.933 -1.611 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.705 0.904 -2.025 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.858 0.974 -0.672 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.573 2.417 -1.672 1.00 8.64 H new ATOM 904 N SER A 57 11.443 3.924 -2.278 1.00 8.92 N ATOM 905 CA SER A 57 12.686 4.592 -1.896 1.00 9.00 C ATOM 906 C SER A 57 12.628 5.930 -1.216 1.00 9.44 C ATOM 907 O SER A 57 13.432 6.217 -0.330 1.00 10.91 O ATOM 908 CB SER A 57 13.752 4.553 -3.026 1.00 10.32 C ATOM 909 OG SER A 57 13.258 5.259 -4.190 1.00 13.59 O ATOM 0 H SER A 57 11.351 3.813 -3.288 1.00 8.92 H new ATOM 0 HA SER A 57 13.000 3.959 -1.066 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.680 5.008 -2.679 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.982 3.520 -3.286 1.00 10.32 H new ATOM 0 HG SER A 57 12.650 4.677 -4.692 1.00 13.59 H new ATOM 915 N ASP A 58 11.668 6.792 -1.633 1.00 9.11 N ATOM 916 CA ASP A 58 11.389 8.101 -1.019 1.00 7.91 C ATOM 917 C ASP A 58 10.844 7.960 0.428 1.00 9.12 C ATOM 918 O ASP A 58 10.891 8.887 1.204 1.00 8.61 O ATOM 919 CB ASP A 58 10.330 8.809 -1.936 1.00 8.41 C ATOM 920 CG ASP A 58 10.380 10.311 -1.673 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.404 10.875 -2.073 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.363 10.897 -1.164 1.00 11.70 O ATOM 0 H ASP A 58 11.057 6.586 -2.423 1.00 9.11 H new ATOM 0 HA ASP A 58 12.308 8.682 -0.943 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.540 8.602 -2.985 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.332 8.422 -1.729 1.00 8.41 H new ATOM 927 N TYR A 59 10.244 6.832 0.803 1.00 7.97 N ATOM 928 CA TYR A 59 9.702 6.640 2.107 1.00 8.45 C ATOM 929 C TYR A 59 10.584 5.683 2.901 1.00 10.98 C ATOM 930 O TYR A 59 10.290 5.276 4.007 1.00 12.95 O ATOM 931 CB TYR A 59 8.264 5.985 2.089 1.00 7.94 C ATOM 932 CG TYR A 59 7.153 7.004 2.018 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.013 7.976 2.942 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.279 7.062 0.888 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.009 8.915 2.884 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.272 7.978 0.815 1.00 6.52 C ATOM 937 CZ TYR A 59 5.122 8.979 1.780 1.00 6.76 C ATOM 938 OH TYR A 59 4.218 10.094 1.525 1.00 7.63 O ATOM 0 H TYR A 59 10.129 6.027 0.187 1.00 7.97 H new ATOM 0 HA TYR A 59 9.648 7.634 2.551 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.188 5.312 1.235 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.136 5.378 2.985 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.717 8.019 3.760 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.420 6.365 0.075 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.894 9.618 3.696 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.574 7.929 -0.007 1.00 6.52 H new ATOM 0 HH TYR A 59 4.611 10.921 1.875 1.00 7.63 H new ATOM 948 N ASN A 60 11.743 5.231 2.412 1.00 12.38 N ATOM 949 CA ASN A 60 12.540 4.284 3.082 1.00 13.94 C ATOM 950 C ASN A 60 11.883 2.918 3.382 1.00 14.16 C ATOM 951 O ASN A 60 12.021 2.308 4.488 1.00 14.26 O ATOM 952 CB ASN A 60 13.282 4.872 4.312 1.00 19.23 C ATOM 953 CG ASN A 60 14.145 6.101 3.986 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.995 6.020 3.100 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.964 7.157 4.800 1.00 24.09 N ATOM 0 H ASN A 60 12.132 5.539 1.521 1.00 12.38 H new ATOM 0 HA ASN A 60 13.293 4.038 2.333 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.549 5.145 5.071 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.916 4.099 4.746 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.560 7.980 4.708 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.231 7.135 5.509 1.00 24.09 H new ATOM 962 N ILE A 61 11.122 2.390 2.432 1.00 11.08 N ATOM 963 CA ILE A 61 10.392 1.101 2.649 1.00 11.78 C ATOM 964 C ILE A 61 11.311 -0.070 2.224 1.00 13.74 C ATOM 965 O ILE A 61 11.863 -0.102 1.189 1.00 14.60 O ATOM 966 CB ILE A 61 8.975 1.128 2.023 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.011 2.157 2.625 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.388 -0.346 2.056 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.850 2.572 1.697 1.00 11.42 C ATOM 0 H ILE A 61 10.981 2.808 1.512 1.00 11.08 H new ATOM 0 HA ILE A 61 10.178 0.944 3.706 1.00 11.78 H new ATOM 0 HB ILE A 61 9.081 1.474 0.995 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.594 1.749 3.546 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.576 3.048 2.898 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.389 -0.350 1.619 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.037 -1.009 1.484 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.334 -0.693 3.088 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.220 3.302 2.206 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.253 3.013 0.785 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.256 1.694 1.443 1.00 11.42 H new ATOM 981 N GLN A 62 11.393 -1.045 3.130 1.00 13.97 N ATOM 982 CA GLN A 62 12.352 -2.096 3.004 1.00 15.52 C ATOM 983 C GLN A 62 11.681 -3.412 2.740 1.00 13.94 C ATOM 984 O GLN A 62 10.420 -3.665 2.811 1.00 12.15 O ATOM 985 CB GLN A 62 13.222 -2.179 4.247 1.00 19.53 C ATOM 986 CG GLN A 62 13.809 -0.824 4.666 1.00 26.38 C ATOM 987 CD GLN A 62 14.640 -0.250 3.532 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.130 -0.952 2.654 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.752 1.105 3.422 1.00 32.71 N ATOM 0 H GLN A 62 10.796 -1.112 3.955 1.00 13.97 H new ATOM 0 HA GLN A 62 12.990 -1.867 2.150 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.631 -2.582 5.070 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.037 -2.880 4.066 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.006 -0.134 4.926 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.426 -0.944 5.556 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.352 1.710 4.140 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.235 1.514 2.622 1.00 32.71 H new ATOM 998 N LYS A 63 12.503 -4.392 2.405 1.00 11.73 N ATOM 999 CA LYS A 63 12.176 -5.818 2.190 1.00 11.97 C ATOM 1000 C LYS A 63 11.588 -6.397 3.391 1.00 10.41 C ATOM 1001 O LYS A 63 12.102 -6.319 4.485 1.00 9.59 O ATOM 1002 CB LYS A 63 13.514 -6.460 1.788 1.00 13.73 C ATOM 1003 CG LYS A 63 13.494 -7.955 1.857 1.00 16.98 C ATOM 1004 CD LYS A 63 14.758 -8.565 1.181 1.00 20.19 C ATOM 1005 CE LYS A 63 16.133 -8.328 1.823 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.171 -8.936 1.001 1.00 25.97 N ATOM 0 H LYS A 63 13.497 -4.212 2.262 1.00 11.73 H new ATOM 0 HA LYS A 63 11.425 -5.981 1.417 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.767 -6.153 0.773 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.301 -6.083 2.441 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.445 -8.273 2.898 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.597 -8.333 1.366 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.608 -9.642 1.114 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.801 -8.185 0.160 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.317 -7.259 1.926 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.155 -8.753 2.826 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.100 -8.773 1.439 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.999 -9.959 0.924 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.156 -8.510 0.052 1.00 25.97 H new ATOM 1020 N GLU A 64 10.440 -7.087 3.173 1.00 10.04 N ATOM 1021 CA GLU A 64 9.621 -7.649 4.208 1.00 10.94 C ATOM 1022 C GLU A 64 8.960 -6.543 5.137 1.00 9.74 C ATOM 1023 O GLU A 64 8.642 -6.660 6.326 1.00 9.42 O ATOM 1024 CB GLU A 64 10.285 -8.870 4.885 1.00 18.31 C ATOM 1025 CG GLU A 64 10.500 -10.004 3.931 1.00 24.16 C ATOM 1026 CD GLU A 64 10.914 -11.318 4.579 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.230 -11.404 5.803 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.865 -12.371 3.832 1.00 31.72 O ATOM 0 H GLU A 64 10.073 -7.257 2.237 1.00 10.04 H new ATOM 0 HA GLU A 64 8.739 -8.099 3.753 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.243 -8.570 5.310 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.661 -9.208 5.712 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.580 -10.167 3.370 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.265 -9.714 3.211 1.00 24.16 H new ATOM 1035 N SER A 65 8.706 -5.360 4.635 1.00 6.85 N ATOM 1036 CA SER A 65 7.842 -4.361 5.313 1.00 6.90 C ATOM 1037 C SER A 65 6.392 -4.654 5.238 1.00 4.72 C ATOM 1038 O SER A 65 5.881 -5.046 4.179 1.00 3.91 O ATOM 1039 CB SER A 65 7.934 -2.932 4.701 1.00 7.28 C ATOM 1040 OG SER A 65 9.245 -2.507 4.927 1.00 10.56 O ATOM 0 H SER A 65 9.083 -5.039 3.743 1.00 6.85 H new ATOM 0 HA SER A 65 8.225 -4.414 6.332 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.706 -2.947 3.635 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.218 -2.258 5.171 1.00 7.28 H new ATOM 0 HG SER A 65 9.848 -2.957 4.298 1.00 10.56 H new ATOM 1046 N THR A 66 5.630 -4.427 6.313 1.00 4.48 N ATOM 1047 CA THR A 66 4.167 -4.565 6.355 1.00 3.80 C ATOM 1048 C THR A 66 3.489 -3.235 6.216 1.00 4.60 C ATOM 1049 O THR A 66 3.575 -2.368 7.058 1.00 5.33 O ATOM 1050 CB THR A 66 3.569 -5.334 7.470 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.169 -6.629 7.488 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.049 -5.566 7.166 1.00 3.40 C ATOM 0 H THR A 66 6.025 -4.133 7.206 1.00 4.48 H new ATOM 0 HA THR A 66 3.976 -5.198 5.488 1.00 3.80 H new ATOM 0 HB THR A 66 3.715 -4.797 8.407 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.788 -7.156 8.221 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.597 -6.132 7.981 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.546 -4.604 7.070 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.945 -6.124 6.235 1.00 3.40 H new ATOM 1060 N LEU A 67 2.653 -3.072 5.146 1.00 4.17 N ATOM 1061 CA LEU A 67 1.835 -1.908 4.783 1.00 3.85 C ATOM 1062 C LEU A 67 0.401 -2.187 5.139 1.00 3.80 C ATOM 1063 O LEU A 67 -0.266 -3.181 4.741 1.00 5.54 O ATOM 1064 CB LEU A 67 1.959 -1.325 3.302 1.00 7.18 C ATOM 1065 CG LEU A 67 3.351 -0.650 2.898 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.550 -1.464 3.200 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.393 -0.353 1.392 1.00 11.66 C ATOM 0 H LEU A 67 2.536 -3.825 4.468 1.00 4.17 H new ATOM 0 HA LEU A 67 2.258 -1.094 5.372 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.761 -2.136 2.602 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.171 -0.585 3.163 1.00 7.18 H new ATOM 0 HG LEU A 67 3.390 0.254 3.506 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.444 -0.923 2.891 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.597 -1.659 4.271 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.493 -2.410 2.661 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.349 0.106 1.138 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.277 -1.282 0.834 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.583 0.329 1.133 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.183 -1.292 6.018 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.477 -1.600 6.610 1.00 4.17 C ATOM 1081 C HIS A 68 -2.588 -0.977 5.868 1.00 5.32 C ATOM 1082 O HIS A 68 -2.488 0.250 5.521 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.527 -1.160 8.080 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.397 -1.745 8.818 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.784 -1.088 9.127 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.206 -3.036 9.270 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.591 -1.926 9.758 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.051 -3.138 9.889 1.00 16.30 N ATOM 0 H HIS A 68 0.225 -0.401 6.301 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.597 -2.682 6.554 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.490 -0.073 8.144 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.468 -1.474 8.531 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.997 -0.116 8.904 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.915 -3.844 9.164 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.572 -1.659 10.124 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.633 -1.736 5.559 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.588 -1.270 4.559 1.00 3.97 C ATOM 1098 C LEU A 69 -5.772 -0.541 5.246 1.00 5.07 C ATOM 1099 O LEU A 69 -6.198 -0.958 6.292 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.001 -2.473 3.781 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.991 -2.258 2.548 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.262 -1.350 1.533 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.396 -3.587 1.935 1.00 9.96 C ATOM 0 H LEU A 69 -3.838 -2.647 5.970 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.156 -0.535 3.880 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.098 -2.955 3.406 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.473 -3.173 4.471 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.918 -1.784 2.871 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.906 -1.177 0.671 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.023 -0.397 2.004 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.342 -1.835 1.207 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.071 -3.411 1.097 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.508 -4.110 1.582 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.901 -4.195 2.686 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.249 0.569 4.573 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.283 1.435 5.173 1.00 6.26 C ATOM 1117 C VAL A 70 -8.268 1.819 4.129 1.00 9.22 C ATOM 1118 O VAL A 70 -7.930 2.142 3.016 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.700 2.800 5.746 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.806 3.928 5.948 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.104 2.547 7.153 1.00 8.54 C ATOM 0 H VAL A 70 -5.933 0.860 3.648 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.722 0.859 5.987 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.967 3.139 5.014 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.338 4.830 6.341 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.277 4.151 4.991 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.561 3.576 6.651 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.703 3.479 7.551 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.884 2.175 7.817 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.305 1.809 7.082 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.537 1.657 4.460 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.625 2.053 3.608 1.00 16.06 C ATOM 1133 C LEU A 71 -10.671 3.576 3.520 1.00 18.09 C ATOM 1134 O LEU A 71 -10.732 4.302 4.517 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.962 1.448 4.105 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.159 1.379 3.168 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.806 2.776 2.911 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.797 0.689 1.856 1.00 19.57 C ATOM 0 H LEU A 71 -9.836 1.240 5.342 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.465 1.663 2.603 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.754 0.432 4.441 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.269 2.017 4.983 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.913 0.775 3.673 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.655 2.665 2.236 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.147 3.199 3.856 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.069 3.441 2.461 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.673 0.656 1.209 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.001 1.244 1.360 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.458 -0.327 2.060 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.596 4.138 2.297 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.678 5.560 2.075 1.00 25.83 C ATOM 1152 C ARG A 72 -12.116 6.003 1.606 1.00 27.74 C ATOM 1153 O ARG A 72 -12.717 5.462 0.675 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.748 6.104 1.011 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.664 7.708 0.872 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.705 8.140 -0.237 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.853 9.649 -0.322 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.157 10.520 -1.051 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.323 10.137 -1.966 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.328 11.818 -0.841 1.00 35.02 N ATOM 0 H ARG A 72 -10.476 3.596 1.441 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.400 5.959 3.050 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.745 5.727 1.211 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.056 5.695 0.049 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.658 8.106 0.667 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.338 8.137 1.820 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.679 7.857 -0.003 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.959 7.665 -1.185 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.588 10.052 0.260 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.184 9.143 -2.145 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.806 10.830 -2.507 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.985 12.137 -0.129 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.802 12.497 -1.391 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.727 6.971 2.319 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.025 7.508 1.947 1.00 30.76 C ATOM 1176 C LEU A 73 -13.791 8.953 1.389 1.00 32.18 C ATOM 1177 O LEU A 73 -12.741 9.488 1.671 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.963 7.536 3.154 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.394 6.161 3.633 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.082 6.260 4.993 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.446 5.472 2.699 1.00 29.11 C ATOM 0 H LEU A 73 -12.328 7.390 3.159 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.496 6.881 1.190 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.468 8.056 3.974 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.850 8.115 2.898 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.473 5.578 3.656 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.384 5.265 5.321 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.391 6.688 5.720 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.962 6.898 4.910 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.707 4.494 3.104 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.341 6.091 2.641 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.023 5.351 1.702 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.730 9.487 0.564 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.554 10.784 -0.203 1.00 35.33 C ATOM 1195 C ARG A 74 -14.508 11.993 0.663 1.00 36.22 C ATOM 1196 O ARG A 74 -13.860 13.001 0.355 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.593 11.059 -1.312 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.593 9.992 -2.469 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.446 10.216 -3.503 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.212 9.489 -2.900 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.013 9.674 -3.501 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.595 10.736 -4.160 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -11.062 8.697 -3.293 1.00 41.93 N ATOM 0 H ARG A 74 -15.634 9.044 0.401 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.587 10.611 -0.675 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.586 11.094 -0.864 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.401 12.043 -1.739 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.497 8.996 -2.037 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.552 10.024 -2.986 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.708 9.805 -4.478 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.247 11.278 -3.647 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.302 8.892 -2.078 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.206 11.546 -4.261 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.660 10.748 -4.569 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -11.281 7.888 -2.711 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -10.140 8.783 -3.721 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.157 11.898 1.809 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.362 13.075 2.679 1.00 36.07 C ATOM 1219 C GLY A 75 -14.337 13.335 3.743 1.00 36.16 C ATOM 1220 O GLY A 75 -14.529 14.119 4.672 1.00 36.26 O ATOM 0 H GLY A 75 -15.554 11.031 2.170 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.418 13.958 2.043 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.332 12.970 3.165 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.155 12.637 3.667 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.123 12.715 4.656 1.00 36.19 C ATOM 1226 C GLY A 76 -10.868 11.970 4.262 1.00 36.20 C ATOM 1227 O GLY A 76 -10.063 12.461 3.419 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.652 10.856 4.820 1.00 0.00 O ATOM 0 H GLY A 76 -12.930 12.010 2.894 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.877 13.762 4.834 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.498 12.312 5.597 1.00 36.19 H new TER 1232 GLY A 76