USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 97:sc= 0.933 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.535 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00324) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.2 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.113) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.879) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -94:sc= 0.785 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= 1.02 (180deg=-0.586!) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.3!) 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=-0.79) USER MOD Single : A 41 GLN : amide:sc= 0.718 K(o=0.72,f=-4.3!) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -46:sc= 0.0719 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.751 K(o=0.75,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.861 4.399 -2.287 1.00 9.67 N ATOM 2 CA MET A 1 -11.599 4.944 -0.936 1.00 10.38 C ATOM 3 C MET A 1 -10.210 5.451 -0.752 1.00 9.62 C ATOM 4 O MET A 1 -9.304 5.163 -1.533 1.00 9.62 O ATOM 5 CB MET A 1 -11.974 4.018 0.233 1.00 13.77 C ATOM 6 CG MET A 1 -10.886 2.990 0.551 1.00 16.29 C ATOM 7 SD MET A 1 -11.517 1.782 1.755 1.00 17.17 S ATOM 8 CE MET A 1 -10.026 0.758 1.587 1.00 16.11 C ATOM 0 H1 MET A 1 -12.885 4.271 -2.417 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.501 5.061 -3.004 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.381 3.482 -2.390 1.00 9.67 H new ATOM 0 HA MET A 1 -12.285 5.790 -0.897 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.167 4.621 1.120 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.901 3.497 -0.006 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.576 2.481 -0.361 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.005 3.491 0.952 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.100 -0.104 2.250 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.934 0.416 0.556 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.148 1.347 1.854 1.00 16.11 H new ATOM 20 N GLN A 2 -10.033 6.360 0.223 1.00 9.27 N ATOM 21 CA GLN A 2 -8.747 6.936 0.469 1.00 9.07 C ATOM 22 C GLN A 2 -7.932 6.184 1.463 1.00 8.72 C ATOM 23 O GLN A 2 -8.371 5.797 2.545 1.00 8.22 O ATOM 24 CB GLN A 2 -8.796 8.336 1.104 1.00 14.46 C ATOM 25 CG GLN A 2 -9.714 9.326 0.385 1.00 17.01 C ATOM 26 CD GLN A 2 -9.620 10.747 0.921 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.242 11.075 1.930 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.834 11.627 0.245 1.00 19.49 N ATOM 0 H GLN A 2 -10.775 6.695 0.838 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.323 6.933 -0.535 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.125 8.241 2.139 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.787 8.746 1.127 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.468 9.331 -0.677 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.744 8.982 0.472 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.330 11.325 -0.589 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.748 12.589 0.572 1.00 19.49 H new ATOM 37 N ILE A 3 -6.724 5.684 1.149 1.00 5.87 N ATOM 38 CA ILE A 3 -5.832 5.177 2.145 1.00 5.07 C ATOM 39 C ILE A 3 -4.538 5.909 2.043 1.00 4.01 C ATOM 40 O ILE A 3 -4.195 6.369 0.954 1.00 4.61 O ATOM 41 CB ILE A 3 -5.531 3.708 2.138 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.722 3.128 0.966 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.805 2.915 2.476 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.088 1.744 1.104 1.00 10.83 C ATOM 0 H ILE A 3 -6.362 5.631 0.197 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.372 5.339 3.078 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.792 3.580 2.929 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.379 3.102 0.097 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -3.922 3.833 0.740 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.582 1.848 2.470 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.163 3.205 3.464 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.574 3.129 1.734 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.557 1.494 0.186 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.388 1.746 1.939 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.867 1.003 1.286 1.00 10.83 H new ATOM 56 N PHE A 4 -3.771 6.053 3.138 1.00 4.55 N ATOM 57 CA PHE A 4 -2.525 6.754 3.109 1.00 4.68 C ATOM 58 C PHE A 4 -1.382 5.847 3.415 1.00 5.30 C ATOM 59 O PHE A 4 -1.426 5.095 4.387 1.00 5.58 O ATOM 60 CB PHE A 4 -2.447 7.826 4.210 1.00 4.83 C ATOM 61 CG PHE A 4 -3.675 8.667 4.271 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.022 9.523 3.252 1.00 8.34 C ATOM 63 CD2 PHE A 4 -4.501 8.541 5.363 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.180 10.255 3.363 1.00 10.61 C ATOM 65 CE2 PHE A 4 -5.576 9.381 5.533 1.00 9.10 C ATOM 66 CZ PHE A 4 -5.989 10.150 4.470 1.00 8.90 C ATOM 0 H PHE A 4 -4.018 5.679 4.054 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.468 7.181 2.108 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -2.293 7.342 5.174 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.581 8.464 4.032 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.394 9.619 2.378 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.303 7.773 6.096 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.460 10.926 2.565 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.086 9.436 6.483 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.938 10.665 4.504 1.00 8.90 H new ATOM 76 N VAL A 5 -0.304 6.015 2.628 1.00 4.44 N ATOM 77 CA VAL A 5 1.025 5.505 2.764 1.00 3.87 C ATOM 78 C VAL A 5 1.944 6.628 3.103 1.00 4.93 C ATOM 79 O VAL A 5 1.929 7.705 2.509 1.00 6.84 O ATOM 80 CB VAL A 5 1.497 4.930 1.462 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.767 4.085 1.658 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.480 4.110 0.649 1.00 9.13 C ATOM 0 H VAL A 5 -0.380 6.585 1.786 1.00 4.44 H new ATOM 0 HA VAL A 5 1.023 4.739 3.540 1.00 3.87 H new ATOM 0 HB VAL A 5 1.688 5.822 0.866 1.00 2.99 H new ATOM 0 HG11 VAL A 5 3.087 3.681 0.698 1.00 5.28 H new ATOM 0 HG12 VAL A 5 3.559 4.709 2.071 1.00 5.28 H new ATOM 0 HG13 VAL A 5 2.556 3.265 2.345 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.950 3.753 -0.268 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.144 3.258 1.240 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -0.376 4.737 0.398 1.00 9.13 H new ATOM 92 N LYS A 6 2.717 6.332 4.163 1.00 6.04 N ATOM 93 CA LYS A 6 3.609 7.224 4.837 1.00 6.12 C ATOM 94 C LYS A 6 4.963 6.604 4.795 1.00 6.57 C ATOM 95 O LYS A 6 5.090 5.426 5.123 1.00 5.76 O ATOM 96 CB LYS A 6 3.124 7.402 6.285 1.00 7.45 C ATOM 97 CG LYS A 6 4.029 8.140 7.274 1.00 11.12 C ATOM 98 CD LYS A 6 3.265 8.329 8.586 1.00 14.54 C ATOM 99 CE LYS A 6 4.135 9.038 9.626 1.00 18.84 C ATOM 100 NZ LYS A 6 5.232 8.156 10.081 1.00 20.55 N ATOM 0 H LYS A 6 2.718 5.401 4.579 1.00 6.04 H new ATOM 0 HA LYS A 6 3.641 8.207 4.367 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.170 7.929 6.252 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.927 6.410 6.693 1.00 7.45 H new ATOM 0 HG2 LYS A 6 4.943 7.572 7.447 1.00 11.12 H new ATOM 0 HG3 LYS A 6 4.326 9.106 6.867 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.361 8.910 8.405 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.949 7.359 8.970 1.00 14.54 H new ATOM 0 HE2 LYS A 6 4.550 9.951 9.199 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.523 9.334 10.478 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 5.684 8.569 10.922 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 4.848 7.219 10.319 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 5.937 8.059 9.322 1.00 20.55 H new ATOM 114 N THR A 7 6.038 7.368 4.528 1.00 7.41 N ATOM 115 CA THR A 7 7.319 6.788 4.272 1.00 7.48 C ATOM 116 C THR A 7 8.189 6.868 5.479 1.00 8.75 C ATOM 117 O THR A 7 7.818 7.436 6.505 1.00 8.58 O ATOM 118 CB THR A 7 8.025 7.161 3.002 1.00 9.61 C ATOM 119 OG1 THR A 7 8.398 8.530 2.942 1.00 11.78 O ATOM 120 CG2 THR A 7 7.008 7.073 1.852 1.00 9.17 C ATOM 0 H THR A 7 6.019 8.387 4.490 1.00 7.41 H new ATOM 0 HA THR A 7 7.086 5.744 4.062 1.00 7.48 H new ATOM 0 HB THR A 7 8.893 6.504 2.946 1.00 9.61 H new ATOM 0 HG1 THR A 7 9.336 8.625 3.209 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.495 7.340 0.914 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.623 6.056 1.784 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.184 7.761 2.041 1.00 9.17 H new ATOM 128 N LEU A 8 9.479 6.496 5.398 1.00 9.84 N ATOM 129 CA LEU A 8 10.486 6.538 6.413 1.00 14.15 C ATOM 130 C LEU A 8 10.956 7.927 6.675 1.00 17.37 C ATOM 131 O LEU A 8 11.133 8.357 7.814 1.00 17.01 O ATOM 132 CB LEU A 8 11.586 5.502 6.127 1.00 16.63 C ATOM 133 CG LEU A 8 11.227 4.008 6.073 1.00 18.88 C ATOM 134 CD1 LEU A 8 12.522 3.184 5.977 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.507 3.485 7.328 1.00 19.31 C ATOM 0 H LEU A 8 9.854 6.126 4.525 1.00 9.84 H new ATOM 0 HA LEU A 8 10.053 6.234 7.366 1.00 14.15 H new ATOM 0 HB2 LEU A 8 12.039 5.763 5.171 1.00 16.63 H new ATOM 0 HB3 LEU A 8 12.356 5.625 6.889 1.00 16.63 H new ATOM 0 HG LEU A 8 10.565 3.903 5.214 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.276 2.123 5.938 1.00 18.59 H new ATOM 0 HD12 LEU A 8 13.065 3.464 5.074 1.00 18.59 H new ATOM 0 HD13 LEU A 8 13.144 3.381 6.850 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.290 2.424 7.207 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.145 3.628 8.200 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.575 4.032 7.467 1.00 19.31 H new ATOM 147 N THR A 9 11.142 8.729 5.612 1.00 18.33 N ATOM 148 CA THR A 9 11.304 10.148 5.677 1.00 19.24 C ATOM 149 C THR A 9 10.042 10.735 6.209 1.00 19.48 C ATOM 150 O THR A 9 10.100 11.430 7.222 1.00 23.14 O ATOM 151 CB THR A 9 11.445 10.818 4.343 1.00 18.97 C ATOM 152 OG1 THR A 9 10.705 10.059 3.398 1.00 20.24 O ATOM 153 CG2 THR A 9 12.940 10.923 3.996 1.00 19.70 C ATOM 0 H THR A 9 11.181 8.369 4.658 1.00 18.33 H new ATOM 0 HA THR A 9 12.201 10.305 6.276 1.00 19.24 H new ATOM 0 HB THR A 9 11.048 11.833 4.345 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.778 10.476 2.514 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.055 11.409 3.027 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.450 11.510 4.760 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.375 9.924 3.955 1.00 19.70 H new ATOM 161 N GLY A 10 8.908 10.475 5.534 1.00 19.43 N ATOM 162 CA GLY A 10 7.686 10.990 6.068 1.00 18.74 C ATOM 163 C GLY A 10 6.632 11.306 5.064 1.00 17.62 C ATOM 164 O GLY A 10 5.636 11.916 5.449 1.00 19.74 O ATOM 0 H GLY A 10 8.834 9.940 4.669 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.284 10.264 6.775 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.909 11.895 6.632 1.00 18.74 H new ATOM 168 N LYS A 11 6.756 10.999 3.760 1.00 13.56 N ATOM 169 CA LYS A 11 5.951 11.622 2.755 1.00 11.91 C ATOM 170 C LYS A 11 4.579 11.039 2.742 1.00 10.18 C ATOM 171 O LYS A 11 4.381 9.878 3.099 1.00 9.10 O ATOM 172 CB LYS A 11 6.650 11.492 1.392 1.00 13.43 C ATOM 173 CG LYS A 11 6.289 12.599 0.399 1.00 16.69 C ATOM 174 CD LYS A 11 6.544 12.058 -1.009 1.00 17.92 C ATOM 175 CE LYS A 11 6.364 13.112 -2.104 1.00 20.81 C ATOM 176 NZ LYS A 11 6.657 12.496 -3.417 1.00 21.93 N ATOM 0 H LYS A 11 7.420 10.313 3.400 1.00 13.56 H new ATOM 0 HA LYS A 11 5.838 12.683 2.979 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.729 11.495 1.547 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.393 10.527 0.954 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.245 12.891 0.514 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.891 13.489 0.582 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.558 11.661 -1.060 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.866 11.226 -1.200 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.346 13.501 -2.089 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.030 13.957 -1.927 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.953 13.233 -4.088 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.421 11.798 -3.310 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.803 12.023 -3.777 1.00 21.93 H new ATOM 190 N THR A 12 3.501 11.760 2.386 1.00 9.63 N ATOM 191 CA THR A 12 2.165 11.257 2.473 1.00 9.85 C ATOM 192 C THR A 12 1.676 11.150 1.070 1.00 11.66 C ATOM 193 O THR A 12 1.333 12.084 0.347 1.00 12.33 O ATOM 194 CB THR A 12 1.220 11.979 3.389 1.00 10.85 C ATOM 195 OG1 THR A 12 1.665 12.010 4.737 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.053 11.119 3.453 1.00 9.63 C ATOM 0 H THR A 12 3.559 12.714 2.030 1.00 9.63 H new ATOM 0 HA THR A 12 2.195 10.289 2.973 1.00 9.85 H new ATOM 0 HB THR A 12 1.105 12.994 3.009 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.013 12.493 5.286 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.782 11.596 4.108 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.475 11.019 2.453 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.194 10.132 3.843 1.00 9.63 H new ATOM 204 N ILE A 13 1.536 9.864 0.700 1.00 10.42 N ATOM 205 CA ILE A 13 0.888 9.422 -0.495 1.00 11.84 C ATOM 206 C ILE A 13 -0.479 8.890 -0.233 1.00 10.55 C ATOM 207 O ILE A 13 -0.570 7.930 0.531 1.00 11.92 O ATOM 208 CB ILE A 13 1.762 8.430 -1.204 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.228 8.859 -1.389 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.205 8.149 -2.609 1.00 17.08 C ATOM 211 CD1 ILE A 13 4.254 8.006 -0.644 1.00 16.46 C ATOM 0 H ILE A 13 1.894 9.093 1.264 1.00 10.42 H new ATOM 0 HA ILE A 13 0.744 10.282 -1.149 1.00 11.84 H new ATOM 0 HB ILE A 13 1.753 7.555 -0.555 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.465 8.837 -2.453 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.332 9.893 -1.060 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.845 7.428 -3.117 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.197 7.744 -2.526 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.177 9.076 -3.182 1.00 17.08 H new ATOM 0 HD11 ILE A 13 5.256 8.389 -0.839 1.00 16.46 H new ATOM 0 HD12 ILE A 13 4.052 8.046 0.426 1.00 16.46 H new ATOM 0 HD13 ILE A 13 4.187 6.974 -0.988 1.00 16.46 H new ATOM 223 N THR A 14 -1.467 9.518 -0.895 1.00 9.39 N ATOM 224 CA THR A 14 -2.857 9.246 -0.702 1.00 9.63 C ATOM 225 C THR A 14 -3.303 8.431 -1.867 1.00 11.20 C ATOM 226 O THR A 14 -3.147 8.871 -3.005 1.00 11.63 O ATOM 227 CB THR A 14 -3.734 10.447 -0.502 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.420 11.142 0.696 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.239 10.132 -0.485 1.00 11.66 C ATOM 0 H THR A 14 -1.291 10.243 -1.591 1.00 9.39 H new ATOM 0 HA THR A 14 -2.964 8.711 0.242 1.00 9.63 H new ATOM 0 HB THR A 14 -3.525 11.069 -1.372 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.000 10.825 1.420 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.802 11.053 -0.336 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.527 9.680 -1.434 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.456 9.439 0.327 1.00 11.66 H new ATOM 237 N LEU A 15 -3.696 7.158 -1.683 1.00 8.29 N ATOM 238 CA LEU A 15 -4.150 6.392 -2.802 1.00 9.03 C ATOM 239 C LEU A 15 -5.633 6.243 -2.821 1.00 8.59 C ATOM 240 O LEU A 15 -6.254 6.121 -1.766 1.00 7.79 O ATOM 241 CB LEU A 15 -3.348 5.080 -2.838 1.00 11.08 C ATOM 242 CG LEU A 15 -1.826 5.228 -3.002 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.000 3.981 -2.646 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.426 5.581 -4.445 1.00 15.88 C ATOM 0 H LEU A 15 -3.701 6.670 -0.787 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.954 6.915 -3.738 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.543 4.532 -1.916 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.725 4.469 -3.658 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.599 6.026 -2.295 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.059 4.191 -2.796 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.173 3.715 -1.603 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.300 3.151 -3.286 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.342 5.675 -4.509 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.763 4.793 -5.119 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.889 6.525 -4.730 1.00 15.88 H new ATOM 256 N GLU A 16 -6.268 6.293 -4.005 1.00 11.04 N ATOM 257 CA GLU A 16 -7.610 5.873 -4.267 1.00 11.50 C ATOM 258 C GLU A 16 -7.589 4.404 -4.516 1.00 10.13 C ATOM 259 O GLU A 16 -7.315 3.950 -5.626 1.00 9.83 O ATOM 260 CB GLU A 16 -8.158 6.631 -5.488 1.00 17.22 C ATOM 261 CG GLU A 16 -9.523 6.184 -6.016 1.00 23.33 C ATOM 262 CD GLU A 16 -10.575 6.269 -4.920 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.686 7.306 -4.212 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.374 5.312 -4.733 1.00 28.86 O ATOM 0 H GLU A 16 -5.808 6.654 -4.841 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.260 6.090 -3.419 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.221 7.689 -5.232 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.434 6.542 -6.298 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.816 6.811 -6.858 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.458 5.161 -6.387 1.00 23.33 H new ATOM 271 N VAL A 17 -7.967 3.614 -3.495 1.00 8.99 N ATOM 272 CA VAL A 17 -7.987 2.196 -3.677 1.00 8.85 C ATOM 273 C VAL A 17 -9.374 1.712 -3.428 1.00 8.04 C ATOM 274 O VAL A 17 -10.144 2.294 -2.665 1.00 8.99 O ATOM 275 CB VAL A 17 -7.120 1.522 -2.655 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.668 2.003 -2.815 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.586 1.776 -1.211 1.00 10.54 C ATOM 0 H VAL A 17 -8.250 3.943 -2.572 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.637 1.971 -4.685 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.193 0.449 -2.832 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.038 1.513 -2.072 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.310 1.755 -3.814 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.625 3.083 -2.672 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.919 1.263 -0.518 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.568 2.846 -1.006 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.601 1.399 -1.085 1.00 10.54 H new ATOM 287 N GLU A 18 -9.737 0.600 -4.092 1.00 7.29 N ATOM 288 CA GLU A 18 -10.986 0.008 -3.728 1.00 7.08 C ATOM 289 C GLU A 18 -10.684 -0.990 -2.663 1.00 6.45 C ATOM 290 O GLU A 18 -9.512 -1.297 -2.454 1.00 5.28 O ATOM 291 CB GLU A 18 -11.593 -0.675 -4.965 1.00 10.28 C ATOM 292 CG GLU A 18 -11.807 0.267 -6.151 1.00 12.65 C ATOM 293 CD GLU A 18 -12.679 -0.202 -7.308 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.193 -1.012 -8.141 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.877 0.182 -7.370 1.00 18.17 O ATOM 0 H GLU A 18 -9.208 0.136 -4.831 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.703 0.744 -3.365 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.940 -1.491 -5.275 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.549 -1.120 -4.690 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.238 1.191 -5.766 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.826 0.517 -6.556 1.00 12.65 H new ATOM 302 N PRO A 19 -11.656 -1.451 -1.933 1.00 7.24 N ATOM 303 CA PRO A 19 -11.441 -2.375 -0.857 1.00 7.07 C ATOM 304 C PRO A 19 -11.353 -3.754 -1.416 1.00 6.65 C ATOM 305 O PRO A 19 -10.943 -4.662 -0.695 1.00 6.37 O ATOM 306 CB PRO A 19 -12.610 -2.248 0.116 1.00 7.61 C ATOM 307 CG PRO A 19 -13.721 -1.622 -0.743 1.00 8.16 C ATOM 308 CD PRO A 19 -12.961 -0.821 -1.812 1.00 7.49 C ATOM 0 HA PRO A 19 -10.512 -2.161 -0.328 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.908 -3.218 0.515 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.357 -1.617 0.968 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.355 -2.386 -1.193 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.370 -0.978 -0.149 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.492 -0.838 -2.764 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.864 0.225 -1.520 1.00 7.49 H new ATOM 316 N SER A 20 -11.652 -3.877 -2.722 1.00 6.80 N ATOM 317 CA SER A 20 -11.445 -5.099 -3.434 1.00 6.28 C ATOM 318 C SER A 20 -10.085 -5.288 -4.012 1.00 8.45 C ATOM 319 O SER A 20 -9.751 -6.274 -4.667 1.00 7.26 O ATOM 320 CB SER A 20 -12.389 -5.201 -4.644 1.00 8.57 C ATOM 321 OG SER A 20 -13.642 -5.716 -4.219 1.00 11.13 O ATOM 0 H SER A 20 -12.040 -3.123 -3.288 1.00 6.80 H new ATOM 0 HA SER A 20 -11.620 -5.851 -2.665 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.522 -4.220 -5.100 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.955 -5.850 -5.405 1.00 8.57 H new ATOM 0 HG SER A 20 -14.247 -5.781 -4.987 1.00 11.13 H new ATOM 327 N ASP A 21 -9.231 -4.256 -3.886 1.00 7.50 N ATOM 328 CA ASP A 21 -7.976 -4.123 -4.559 1.00 7.70 C ATOM 329 C ASP A 21 -6.970 -4.894 -3.776 1.00 7.08 C ATOM 330 O ASP A 21 -6.956 -4.916 -2.547 1.00 8.11 O ATOM 331 CB ASP A 21 -7.484 -2.673 -4.708 1.00 11.00 C ATOM 332 CG ASP A 21 -8.056 -1.863 -5.862 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.553 -2.462 -6.854 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.912 -0.612 -5.816 1.00 18.03 O ATOM 0 H ASP A 21 -9.431 -3.464 -3.275 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.109 -4.498 -5.574 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.705 -2.144 -3.781 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.399 -2.693 -4.813 1.00 11.00 H new ATOM 339 N THR A 22 -6.102 -5.632 -4.492 1.00 5.37 N ATOM 340 CA THR A 22 -5.014 -6.318 -3.867 1.00 6.01 C ATOM 341 C THR A 22 -3.920 -5.396 -3.451 1.00 8.01 C ATOM 342 O THR A 22 -3.734 -4.249 -3.854 1.00 8.11 O ATOM 343 CB THR A 22 -4.502 -7.373 -4.803 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.244 -7.071 -6.166 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.380 -8.635 -4.855 1.00 9.65 C ATOM 0 H THR A 22 -6.154 -5.753 -5.503 1.00 5.37 H new ATOM 0 HA THR A 22 -5.382 -6.781 -2.952 1.00 6.01 H new ATOM 0 HB THR A 22 -3.536 -7.499 -4.314 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.916 -7.874 -6.623 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.946 -9.352 -5.552 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.434 -9.082 -3.862 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.383 -8.367 -5.187 1.00 9.65 H new ATOM 353 N ILE A 23 -3.090 -5.820 -2.482 1.00 8.32 N ATOM 354 CA ILE A 23 -1.921 -5.181 -1.960 1.00 9.92 C ATOM 355 C ILE A 23 -0.831 -5.178 -2.975 1.00 10.01 C ATOM 356 O ILE A 23 -0.079 -4.214 -3.110 1.00 8.71 O ATOM 357 CB ILE A 23 -1.471 -5.895 -0.720 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.689 -5.779 0.213 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.250 -5.159 -0.144 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.587 -6.360 1.622 1.00 12.30 C ATOM 0 H ILE A 23 -3.259 -6.710 -2.014 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.162 -4.147 -1.713 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.172 -6.932 -0.875 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.934 -4.721 0.308 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -3.533 -6.259 -0.283 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.089 -5.667 0.759 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.553 -5.155 -0.881 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.525 -4.133 0.099 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.526 -6.198 2.151 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.385 -7.429 1.561 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -1.777 -5.868 2.161 1.00 12.30 H new ATOM 372 N GLU A 24 -0.938 -6.104 -3.945 1.00 9.54 N ATOM 373 CA GLU A 24 -0.264 -6.091 -5.206 1.00 11.81 C ATOM 374 C GLU A 24 -0.553 -4.913 -6.071 1.00 11.14 C ATOM 375 O GLU A 24 0.298 -4.180 -6.573 1.00 10.62 O ATOM 376 CB GLU A 24 -0.481 -7.437 -5.918 1.00 19.24 C ATOM 377 CG GLU A 24 0.382 -7.642 -7.164 1.00 27.76 C ATOM 378 CD GLU A 24 0.152 -8.891 -8.002 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.803 -8.756 -8.812 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.870 -9.916 -7.853 1.00 36.51 O ATOM 0 H GLU A 24 -1.540 -6.921 -3.839 1.00 9.54 H new ATOM 0 HA GLU A 24 0.798 -5.968 -4.993 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.277 -8.243 -5.214 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.530 -7.519 -6.201 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.242 -6.776 -7.812 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.426 -7.640 -6.850 1.00 27.76 H new ATOM 387 N ASN A 25 -1.849 -4.591 -6.226 1.00 9.43 N ATOM 388 CA ASN A 25 -2.431 -3.455 -6.872 1.00 10.96 C ATOM 389 C ASN A 25 -2.053 -2.142 -6.276 1.00 9.68 C ATOM 390 O ASN A 25 -1.755 -1.196 -7.002 1.00 9.33 O ATOM 391 CB ASN A 25 -3.957 -3.649 -6.853 1.00 16.78 C ATOM 392 CG ASN A 25 -4.530 -2.920 -8.060 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.653 -1.697 -8.077 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.953 -3.662 -9.119 1.00 24.70 N ATOM 0 H ASN A 25 -2.574 -5.204 -5.852 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.041 -3.409 -7.889 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.208 -4.709 -6.891 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.382 -3.254 -5.930 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.373 -3.204 -9.928 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.851 -4.677 -9.104 1.00 24.70 H new ATOM 401 N VAL A 26 -1.993 -2.018 -4.938 1.00 6.52 N ATOM 402 CA VAL A 26 -1.379 -0.993 -4.152 1.00 5.53 C ATOM 403 C VAL A 26 0.076 -0.795 -4.402 1.00 4.42 C ATOM 404 O VAL A 26 0.508 0.270 -4.841 1.00 3.40 O ATOM 405 CB VAL A 26 -1.562 -1.221 -2.681 1.00 3.86 C ATOM 406 CG1 VAL A 26 -0.941 -0.097 -1.834 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.090 -1.259 -2.510 1.00 8.12 C ATOM 0 H VAL A 26 -2.427 -2.721 -4.340 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.900 -0.092 -4.475 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.066 -2.131 -2.343 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.100 -0.308 -0.777 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.129 -0.038 -2.036 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.411 0.853 -2.089 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.335 -1.423 -1.460 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.517 -0.311 -2.839 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.503 -2.070 -3.110 1.00 8.12 H new ATOM 417 N LYS A 27 0.992 -1.775 -4.304 1.00 2.64 N ATOM 418 CA LYS A 27 2.321 -1.695 -4.826 1.00 4.14 C ATOM 419 C LYS A 27 2.516 -1.191 -6.215 1.00 5.58 C ATOM 420 O LYS A 27 3.344 -0.315 -6.461 1.00 4.11 O ATOM 421 CB LYS A 27 3.100 -3.012 -4.674 1.00 3.97 C ATOM 422 CG LYS A 27 3.466 -3.460 -3.257 1.00 7.45 C ATOM 423 CD LYS A 27 4.038 -4.869 -3.428 1.00 9.02 C ATOM 424 CE LYS A 27 4.705 -5.397 -2.157 1.00 12.90 C ATOM 425 NZ LYS A 27 5.303 -6.733 -2.374 1.00 15.47 N ATOM 0 H LYS A 27 0.798 -2.662 -3.840 1.00 2.64 H new ATOM 0 HA LYS A 27 2.721 -0.909 -4.185 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.512 -3.805 -5.136 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.023 -2.924 -5.247 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.197 -2.788 -2.806 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.592 -3.464 -2.605 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.237 -5.548 -3.721 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.766 -4.865 -4.240 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.478 -4.699 -1.833 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.969 -5.452 -1.355 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.775 -7.443 -1.828 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.260 -6.972 -3.385 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.295 -6.724 -2.062 1.00 15.47 H new ATOM 439 N ALA A 28 1.713 -1.641 -7.195 1.00 6.61 N ATOM 440 CA ALA A 28 1.880 -1.229 -8.555 1.00 7.74 C ATOM 441 C ALA A 28 1.529 0.188 -8.850 1.00 9.17 C ATOM 442 O ALA A 28 2.139 0.912 -9.635 1.00 11.45 O ATOM 443 CB ALA A 28 1.135 -2.105 -9.576 1.00 7.68 C ATOM 0 H ALA A 28 0.944 -2.294 -7.045 1.00 6.61 H new ATOM 0 HA ALA A 28 2.957 -1.350 -8.669 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.314 -1.724 -10.581 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.496 -3.131 -9.507 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.066 -2.081 -9.364 1.00 7.68 H new ATOM 449 N LYS A 29 0.466 0.608 -8.141 1.00 8.96 N ATOM 450 CA LYS A 29 0.002 1.955 -8.272 1.00 7.90 C ATOM 451 C LYS A 29 0.970 2.913 -7.668 1.00 6.92 C ATOM 452 O LYS A 29 1.150 4.007 -8.200 1.00 6.87 O ATOM 453 CB LYS A 29 -1.369 1.950 -7.574 1.00 10.28 C ATOM 454 CG LYS A 29 -2.242 3.176 -7.847 1.00 14.94 C ATOM 455 CD LYS A 29 -3.663 3.089 -7.287 1.00 19.69 C ATOM 456 CE LYS A 29 -4.617 3.791 -8.255 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.985 3.287 -7.998 1.00 24.98 N ATOM 0 H LYS A 29 -0.064 0.029 -7.489 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.088 2.284 -9.307 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.914 1.059 -7.885 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.211 1.868 -6.499 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.753 4.054 -7.425 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.300 3.331 -8.924 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.955 2.047 -7.158 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.711 3.557 -6.304 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.576 4.871 -8.114 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.326 3.593 -9.287 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.624 3.618 -8.749 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.975 2.247 -7.985 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.319 3.641 -7.079 1.00 24.98 H new ATOM 471 N ILE A 30 1.648 2.539 -6.568 1.00 4.57 N ATOM 472 CA ILE A 30 2.729 3.256 -5.966 1.00 5.58 C ATOM 473 C ILE A 30 3.842 3.410 -6.944 1.00 7.26 C ATOM 474 O ILE A 30 4.453 4.475 -7.023 1.00 9.46 O ATOM 475 CB ILE A 30 3.215 2.755 -4.638 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.118 2.887 -3.568 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.454 3.460 -4.060 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.260 2.022 -2.316 1.00 2.00 C ATOM 0 H ILE A 30 1.426 1.679 -6.067 1.00 4.57 H new ATOM 0 HA ILE A 30 2.310 4.229 -5.710 1.00 5.58 H new ATOM 0 HB ILE A 30 3.487 1.723 -4.857 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.074 3.930 -3.255 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.161 2.653 -4.034 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.712 3.014 -3.100 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.291 3.347 -4.749 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.238 4.519 -3.921 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.422 2.212 -1.645 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.266 0.970 -2.600 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.193 2.266 -1.809 1.00 2.00 H new ATOM 490 N GLN A 31 4.208 2.365 -7.707 1.00 7.06 N ATOM 491 CA GLN A 31 5.326 2.373 -8.598 1.00 8.67 C ATOM 492 C GLN A 31 5.036 3.307 -9.722 1.00 10.90 C ATOM 493 O GLN A 31 5.813 4.224 -9.985 1.00 9.63 O ATOM 494 CB GLN A 31 5.623 0.983 -9.186 1.00 9.12 C ATOM 495 CG GLN A 31 6.716 0.906 -10.253 1.00 10.76 C ATOM 496 CD GLN A 31 6.789 -0.399 -11.033 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.718 -0.972 -11.229 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.001 -0.903 -11.389 1.00 14.76 N ATOM 0 H GLN A 31 3.704 1.478 -7.703 1.00 7.06 H new ATOM 0 HA GLN A 31 6.199 2.688 -8.026 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.900 0.320 -8.367 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.701 0.591 -9.615 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.566 1.722 -10.960 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.680 1.074 -9.772 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.851 -0.373 -11.196 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.060 -1.811 -11.849 1.00 14.76 H new ATOM 507 N ASP A 32 3.802 3.260 -10.255 1.00 10.93 N ATOM 508 CA ASP A 32 3.269 4.095 -11.286 1.00 14.01 C ATOM 509 C ASP A 32 3.283 5.539 -10.918 1.00 14.04 C ATOM 510 O ASP A 32 3.727 6.339 -11.741 1.00 13.39 O ATOM 511 CB ASP A 32 1.862 3.617 -11.684 1.00 18.01 C ATOM 512 CG ASP A 32 1.331 4.375 -12.892 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.954 4.125 -13.958 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.291 5.082 -12.807 1.00 25.17 O ATOM 0 H ASP A 32 3.118 2.575 -9.934 1.00 10.93 H new ATOM 0 HA ASP A 32 3.921 4.004 -12.155 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.890 2.550 -11.907 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.181 3.749 -10.843 1.00 18.01 H new ATOM 519 N LYS A 33 2.826 5.876 -9.699 1.00 14.22 N ATOM 520 CA LYS A 33 2.778 7.210 -9.185 1.00 14.00 C ATOM 521 C LYS A 33 4.055 7.773 -8.664 1.00 12.37 C ATOM 522 O LYS A 33 4.519 8.817 -9.119 1.00 12.17 O ATOM 523 CB LYS A 33 1.743 7.124 -8.051 1.00 18.62 C ATOM 524 CG LYS A 33 1.323 8.390 -7.302 1.00 24.00 C ATOM 525 CD LYS A 33 0.064 8.199 -6.455 1.00 27.61 C ATOM 526 CE LYS A 33 -0.443 9.357 -5.591 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.845 10.559 -6.355 1.00 30.06 N ATOM 0 H LYS A 33 2.472 5.184 -9.039 1.00 14.22 H new ATOM 0 HA LYS A 33 2.535 7.893 -9.999 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.840 6.680 -8.469 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.130 6.423 -7.311 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.141 8.712 -6.658 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.151 9.190 -8.022 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.744 7.916 -7.129 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.240 7.350 -5.794 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.295 9.012 -5.006 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.338 9.635 -4.883 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.175 11.294 -5.697 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.030 10.917 -6.893 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.613 10.312 -7.012 1.00 30.06 H new ATOM 541 N GLU A 34 4.756 7.177 -7.682 1.00 10.11 N ATOM 542 CA GLU A 34 5.984 7.624 -7.102 1.00 10.07 C ATOM 543 C GLU A 34 7.228 7.219 -7.814 1.00 9.32 C ATOM 544 O GLU A 34 8.089 8.050 -8.102 1.00 11.61 O ATOM 545 CB GLU A 34 6.009 7.254 -5.609 1.00 14.77 C ATOM 546 CG GLU A 34 5.181 8.117 -4.655 1.00 18.75 C ATOM 547 CD GLU A 34 5.802 9.474 -4.358 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.045 9.659 -4.259 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.037 10.444 -4.111 1.00 25.19 O ATOM 0 H GLU A 34 4.433 6.307 -7.259 1.00 10.11 H new ATOM 0 HA GLU A 34 5.994 8.708 -7.216 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.668 6.223 -5.512 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.046 7.280 -5.273 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.190 8.267 -5.083 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.044 7.577 -3.718 1.00 18.75 H new ATOM 556 N GLY A 35 7.389 5.902 -8.037 1.00 7.22 N ATOM 557 CA GLY A 35 8.551 5.317 -8.630 1.00 6.29 C ATOM 558 C GLY A 35 9.502 4.687 -7.672 1.00 6.93 C ATOM 559 O GLY A 35 10.678 5.040 -7.588 1.00 7.41 O ATOM 0 H GLY A 35 6.676 5.214 -7.793 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.232 4.563 -9.349 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.081 6.088 -9.190 1.00 6.29 H new ATOM 563 N ILE A 36 8.944 3.769 -6.863 1.00 5.86 N ATOM 564 CA ILE A 36 9.626 2.806 -6.055 1.00 6.07 C ATOM 565 C ILE A 36 9.151 1.488 -6.561 1.00 6.36 C ATOM 566 O ILE A 36 7.936 1.309 -6.492 1.00 6.18 O ATOM 567 CB ILE A 36 9.337 3.004 -4.596 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.630 4.437 -4.122 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.044 1.928 -3.754 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.187 4.822 -2.711 1.00 9.49 C ATOM 0 H ILE A 36 7.931 3.696 -6.767 1.00 5.86 H new ATOM 0 HA ILE A 36 10.710 2.893 -6.129 1.00 6.07 H new ATOM 0 HB ILE A 36 8.265 2.876 -4.447 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.705 4.600 -4.192 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.156 5.125 -4.822 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.823 2.088 -2.699 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.691 0.941 -4.053 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.121 1.991 -3.912 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.459 5.859 -2.515 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.106 4.707 -2.625 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.679 4.174 -1.986 1.00 9.49 H new ATOM 582 N PRO A 37 9.946 0.540 -6.962 1.00 8.65 N ATOM 583 CA PRO A 37 9.489 -0.702 -7.513 1.00 9.18 C ATOM 584 C PRO A 37 8.952 -1.639 -6.487 1.00 9.85 C ATOM 585 O PRO A 37 9.318 -1.460 -5.326 1.00 8.51 O ATOM 586 CB PRO A 37 10.746 -1.265 -8.174 1.00 11.42 C ATOM 587 CG PRO A 37 11.865 -0.826 -7.216 1.00 9.27 C ATOM 588 CD PRO A 37 11.397 0.599 -6.881 1.00 8.33 C ATOM 0 HA PRO A 37 8.653 -0.562 -8.198 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.700 -2.350 -8.271 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.891 -0.861 -9.176 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.928 -1.461 -6.332 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.847 -0.840 -7.690 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.726 0.900 -5.887 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.804 1.325 -7.585 1.00 8.33 H new ATOM 596 N PRO A 38 8.148 -2.613 -6.794 1.00 8.71 N ATOM 597 CA PRO A 38 7.592 -3.546 -5.857 1.00 9.08 C ATOM 598 C PRO A 38 8.578 -4.387 -5.122 1.00 9.28 C ATOM 599 O PRO A 38 8.107 -5.078 -4.220 1.00 6.50 O ATOM 600 CB PRO A 38 6.617 -4.375 -6.690 1.00 10.31 C ATOM 601 CG PRO A 38 6.084 -3.354 -7.707 1.00 10.81 C ATOM 602 CD PRO A 38 7.361 -2.557 -8.016 1.00 12.00 C ATOM 0 HA PRO A 38 7.113 -3.014 -5.035 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.114 -5.212 -7.180 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.817 -4.793 -6.079 1.00 10.31 H new ATOM 0 HG2 PRO A 38 5.671 -3.833 -8.595 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.297 -2.727 -7.288 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.904 -2.992 -8.855 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.127 -1.528 -8.287 1.00 12.00 H new ATOM 610 N ASP A 39 9.871 -4.434 -5.487 1.00 11.20 N ATOM 611 CA ASP A 39 10.797 -5.333 -4.870 1.00 14.96 C ATOM 612 C ASP A 39 11.303 -4.644 -3.649 1.00 13.99 C ATOM 613 O ASP A 39 11.804 -5.245 -2.701 1.00 13.75 O ATOM 614 CB ASP A 39 11.972 -5.564 -5.834 1.00 24.16 C ATOM 615 CG ASP A 39 11.523 -6.175 -7.153 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.624 -7.051 -7.050 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.128 -5.780 -8.186 1.00 34.22 O ATOM 0 H ASP A 39 10.278 -3.846 -6.214 1.00 11.20 H new ATOM 0 HA ASP A 39 10.333 -6.289 -4.627 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.473 -4.615 -6.027 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.703 -6.220 -5.362 1.00 24.16 H new ATOM 622 N GLN A 40 11.372 -3.302 -3.582 1.00 11.60 N ATOM 623 CA GLN A 40 11.862 -2.497 -2.507 1.00 10.76 C ATOM 624 C GLN A 40 10.783 -2.261 -1.507 1.00 8.01 C ATOM 625 O GLN A 40 11.113 -2.014 -0.349 1.00 8.96 O ATOM 626 CB GLN A 40 12.419 -1.149 -2.993 1.00 11.14 C ATOM 627 CG GLN A 40 13.346 -0.414 -2.023 1.00 14.85 C ATOM 628 CD GLN A 40 13.842 0.924 -2.552 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.715 1.198 -3.744 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.565 1.753 -1.752 1.00 18.16 N ATOM 0 H GLN A 40 11.052 -2.726 -4.361 1.00 11.60 H new ATOM 0 HA GLN A 40 12.682 -3.047 -2.045 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.961 -1.317 -3.924 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.579 -0.495 -3.227 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.819 -0.251 -1.083 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.204 -1.049 -1.802 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.677 1.536 -0.762 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.995 2.592 -2.142 1.00 18.16 H new ATOM 639 N GLN A 41 9.485 -2.240 -1.859 1.00 6.52 N ATOM 640 CA GLN A 41 8.382 -1.980 -0.986 1.00 3.87 C ATOM 641 C GLN A 41 8.047 -3.102 -0.065 1.00 4.79 C ATOM 642 O GLN A 41 7.986 -4.287 -0.390 1.00 6.34 O ATOM 643 CB GLN A 41 7.163 -1.637 -1.858 1.00 4.20 C ATOM 644 CG GLN A 41 7.216 -0.435 -2.804 1.00 3.20 C ATOM 645 CD GLN A 41 5.906 -0.194 -3.540 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.798 -0.434 -3.064 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.026 0.250 -4.820 1.00 7.13 N ATOM 0 H GLN A 41 9.187 -2.417 -2.818 1.00 6.52 H new ATOM 0 HA GLN A 41 8.669 -1.153 -0.336 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.938 -2.516 -2.462 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.317 -1.486 -1.188 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.474 0.457 -2.234 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.012 -0.589 -3.533 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.949 0.447 -5.207 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.193 0.386 -5.393 1.00 7.13 H new ATOM 656 N ARG A 42 7.924 -2.707 1.215 1.00 5.73 N ATOM 657 CA ARG A 42 7.318 -3.457 2.272 1.00 6.97 C ATOM 658 C ARG A 42 6.374 -2.614 3.057 1.00 7.15 C ATOM 659 O ARG A 42 6.672 -1.490 3.457 1.00 7.33 O ATOM 660 CB ARG A 42 8.382 -3.917 3.283 1.00 13.23 C ATOM 661 CG ARG A 42 7.910 -4.837 4.411 1.00 21.27 C ATOM 662 CD ARG A 42 9.071 -5.419 5.220 1.00 26.14 C ATOM 663 NE ARG A 42 8.561 -6.489 6.122 1.00 32.26 N ATOM 664 CZ ARG A 42 9.265 -7.518 6.677 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.572 -7.846 6.461 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.550 -8.403 7.432 1.00 36.39 N ATOM 0 H ARG A 42 8.272 -1.802 1.532 1.00 5.73 H new ATOM 0 HA ARG A 42 6.807 -4.296 1.799 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.172 -4.430 2.735 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.829 -3.030 3.732 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.251 -4.280 5.077 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.322 -5.652 3.988 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.828 -5.825 4.549 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.551 -4.634 5.805 1.00 26.14 H new ATOM 0 HE ARG A 42 7.568 -6.448 6.352 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.138 -7.291 5.819 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.983 -8.646 6.942 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.546 -8.274 7.555 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.020 -9.193 7.873 1.00 36.39 H new ATOM 680 N LEU A 43 5.176 -3.225 3.116 1.00 4.65 N ATOM 681 CA LEU A 43 3.994 -2.517 3.496 1.00 3.51 C ATOM 682 C LEU A 43 3.482 -2.879 4.848 1.00 5.56 C ATOM 683 O LEU A 43 3.104 -4.026 5.081 1.00 4.19 O ATOM 684 CB LEU A 43 2.869 -2.602 2.450 1.00 3.74 C ATOM 685 CG LEU A 43 3.231 -1.975 1.093 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.159 -2.240 0.023 1.00 6.41 C ATOM 687 CD2 LEU A 43 3.405 -0.446 1.103 1.00 9.55 C ATOM 0 H LEU A 43 5.027 -4.211 2.900 1.00 4.65 H new ATOM 0 HA LEU A 43 4.319 -1.478 3.547 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.607 -3.649 2.297 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.982 -2.105 2.844 1.00 3.74 H new ATOM 0 HG LEU A 43 4.183 -2.456 0.869 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.461 -1.777 -0.917 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.047 -3.315 -0.121 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.209 -1.816 0.347 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.659 -0.102 0.100 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.475 0.024 1.423 1.00 9.55 H new ATOM 0 HD23 LEU A 43 4.205 -0.175 1.793 1.00 9.55 H new ATOM 699 N ILE A 44 3.467 -1.979 5.847 1.00 4.58 N ATOM 700 CA ILE A 44 3.130 -2.385 7.177 1.00 5.55 C ATOM 701 C ILE A 44 2.082 -1.435 7.647 1.00 5.46 C ATOM 702 O ILE A 44 2.104 -0.267 7.261 1.00 6.04 O ATOM 703 CB ILE A 44 4.425 -2.331 7.931 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.529 -3.223 7.338 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.151 -2.569 9.425 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.756 -3.372 8.236 1.00 13.90 C ATOM 0 H ILE A 44 3.684 -0.988 5.739 1.00 4.58 H new ATOM 0 HA ILE A 44 2.716 -3.386 7.294 1.00 5.55 H new ATOM 0 HB ILE A 44 4.845 -1.331 7.823 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.115 -4.211 7.138 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.841 -2.809 6.379 1.00 10.31 H new ATOM 0 HG21 ILE A 44 5.090 -2.531 9.978 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.478 -1.797 9.799 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.691 -3.548 9.559 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.488 -4.015 7.748 1.00 13.90 H new ATOM 0 HD12 ILE A 44 7.197 -2.391 8.416 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.460 -3.816 9.186 1.00 13.90 H new ATOM 718 N PHE A 45 1.015 -1.957 8.278 1.00 6.75 N ATOM 719 CA PHE A 45 0.007 -1.157 8.901 1.00 4.70 C ATOM 720 C PHE A 45 0.279 -1.008 10.359 1.00 6.34 C ATOM 721 O PHE A 45 0.237 0.062 10.964 1.00 5.45 O ATOM 722 CB PHE A 45 -1.410 -1.647 8.560 1.00 5.51 C ATOM 723 CG PHE A 45 -2.427 -0.798 9.241 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.646 0.503 8.853 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.197 -1.277 10.275 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.561 1.288 9.513 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.053 -0.485 11.004 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.306 0.790 10.557 1.00 6.84 C ATOM 0 H PHE A 45 0.849 -2.960 8.357 1.00 6.75 H new ATOM 0 HA PHE A 45 0.051 -0.150 8.486 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.563 -1.616 7.481 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.527 -2.686 8.869 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.093 0.912 8.021 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.126 -2.325 10.526 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -3.698 2.315 9.207 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.516 -0.856 11.907 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.076 1.391 11.017 1.00 6.84 H new ATOM 738 N ALA A 46 0.400 -2.231 10.907 1.00 6.53 N ATOM 739 CA ALA A 46 0.586 -2.622 12.270 1.00 7.15 C ATOM 740 C ALA A 46 1.852 -3.403 12.357 1.00 9.00 C ATOM 741 O ALA A 46 2.935 -2.912 12.042 1.00 11.15 O ATOM 742 CB ALA A 46 -0.675 -3.296 12.837 1.00 8.99 C ATOM 0 H ALA A 46 0.361 -3.055 10.307 1.00 6.53 H new ATOM 0 HA ALA A 46 0.711 -1.761 12.927 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.500 -3.581 13.874 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.513 -2.600 12.788 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.907 -4.185 12.251 1.00 8.99 H new ATOM 748 N GLY A 47 1.810 -4.624 12.920 1.00 9.35 N ATOM 749 CA GLY A 47 2.912 -5.464 13.272 1.00 11.68 C ATOM 750 C GLY A 47 2.778 -6.729 12.497 1.00 11.14 C ATOM 751 O GLY A 47 3.591 -7.634 12.677 1.00 13.93 O ATOM 0 H GLY A 47 0.918 -5.062 13.150 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.857 -4.972 13.042 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.911 -5.669 14.343 1.00 11.68 H new ATOM 755 N LYS A 48 1.803 -6.789 11.573 1.00 10.47 N ATOM 756 CA LYS A 48 1.474 -7.950 10.805 1.00 8.82 C ATOM 757 C LYS A 48 1.814 -7.874 9.356 1.00 7.68 C ATOM 758 O LYS A 48 1.657 -6.860 8.678 1.00 6.47 O ATOM 759 CB LYS A 48 0.015 -8.362 11.064 1.00 9.74 C ATOM 760 CG LYS A 48 -0.203 -8.984 12.444 1.00 14.14 C ATOM 761 CD LYS A 48 -1.610 -9.538 12.676 1.00 16.32 C ATOM 762 CE LYS A 48 -1.708 -10.908 12.003 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.079 -11.426 12.215 1.00 23.92 N ATOM 0 H LYS A 48 1.214 -5.987 11.350 1.00 10.47 H new ATOM 0 HA LYS A 48 2.129 -8.745 11.162 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.626 -7.486 10.963 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.295 -9.074 10.299 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.518 -9.789 12.583 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.008 -8.232 13.205 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.812 -9.625 13.744 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.357 -8.859 12.265 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.493 -10.825 10.938 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.973 -11.593 12.425 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.171 -12.359 11.765 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.263 -11.513 13.235 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.767 -10.770 11.794 1.00 23.92 H new ATOM 777 N GLN A 49 2.210 -9.039 8.813 1.00 8.89 N ATOM 778 CA GLN A 49 2.697 -9.229 7.482 1.00 7.18 C ATOM 779 C GLN A 49 1.599 -9.182 6.476 1.00 8.23 C ATOM 780 O GLN A 49 0.682 -9.994 6.594 1.00 9.70 O ATOM 781 CB GLN A 49 3.547 -10.499 7.311 1.00 11.67 C ATOM 782 CG GLN A 49 4.838 -10.467 8.132 1.00 15.82 C ATOM 783 CD GLN A 49 5.763 -11.675 8.130 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.859 -11.497 8.658 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.355 -12.832 7.543 1.00 20.67 N ATOM 0 H GLN A 49 2.188 -9.910 9.343 1.00 8.89 H new ATOM 0 HA GLN A 49 3.365 -8.387 7.298 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.957 -11.367 7.605 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.796 -10.624 6.257 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.420 -9.611 7.791 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.560 -10.271 9.168 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.425 -12.893 7.127 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.979 -13.639 7.518 1.00 20.67 H new ATOM 794 N LEU A 50 1.659 -8.267 5.492 1.00 6.51 N ATOM 795 CA LEU A 50 0.763 -8.085 4.393 1.00 7.41 C ATOM 796 C LEU A 50 1.262 -8.806 3.188 1.00 8.27 C ATOM 797 O LEU A 50 2.390 -8.657 2.721 1.00 8.34 O ATOM 798 CB LEU A 50 0.418 -6.629 4.037 1.00 7.13 C ATOM 799 CG LEU A 50 -0.122 -5.714 5.149 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.492 -4.295 4.688 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.228 -6.347 6.009 1.00 8.14 C ATOM 0 H LEU A 50 2.416 -7.584 5.467 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.178 -8.513 4.739 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.317 -6.164 3.631 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.320 -6.649 3.235 1.00 7.13 H new ATOM 0 HG LEU A 50 0.740 -5.596 5.805 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.863 -3.722 5.537 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.390 -3.804 4.277 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.266 -4.351 3.922 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.551 -5.635 6.768 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.075 -6.612 5.376 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.843 -7.244 6.494 1.00 8.14 H new ATOM 813 N GLU A 51 0.478 -9.753 2.644 1.00 9.43 N ATOM 814 CA GLU A 51 0.748 -10.608 1.529 1.00 11.90 C ATOM 815 C GLU A 51 0.107 -10.001 0.329 1.00 11.49 C ATOM 816 O GLU A 51 -0.947 -9.369 0.391 1.00 9.88 O ATOM 817 CB GLU A 51 0.210 -12.027 1.779 1.00 16.56 C ATOM 818 CG GLU A 51 1.099 -13.102 1.148 1.00 26.06 C ATOM 819 CD GLU A 51 0.380 -14.437 1.020 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.486 -14.536 0.110 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.599 -15.362 1.848 1.00 32.13 O ATOM 0 H GLU A 51 -0.448 -9.938 3.031 1.00 9.43 H new ATOM 0 HA GLU A 51 1.824 -10.699 1.378 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.137 -12.202 2.852 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.799 -12.108 1.374 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.424 -12.770 0.162 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.996 -13.231 1.753 1.00 26.06 H new ATOM 828 N ASP A 52 0.817 -10.147 -0.804 1.00 12.71 N ATOM 829 CA ASP A 52 0.537 -9.319 -1.936 1.00 16.56 C ATOM 830 C ASP A 52 -0.820 -9.575 -2.495 1.00 15.83 C ATOM 831 O ASP A 52 -1.510 -8.638 -2.896 1.00 17.21 O ATOM 832 CB ASP A 52 1.698 -9.637 -2.893 1.00 21.05 C ATOM 833 CG ASP A 52 3.065 -9.094 -2.503 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.138 -8.072 -1.769 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.110 -9.656 -2.927 1.00 28.37 O ATOM 0 H ASP A 52 1.569 -10.823 -0.936 1.00 12.71 H new ATOM 0 HA ASP A 52 0.493 -8.254 -1.707 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.775 -10.720 -2.988 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.444 -9.248 -3.879 1.00 21.05 H new ATOM 840 N GLY A 53 -1.161 -10.876 -2.503 1.00 15.00 N ATOM 841 CA GLY A 53 -2.319 -11.305 -3.224 1.00 11.77 C ATOM 842 C GLY A 53 -3.672 -11.188 -2.611 1.00 11.10 C ATOM 843 O GLY A 53 -4.685 -11.345 -3.291 1.00 11.25 O ATOM 0 H GLY A 53 -0.649 -11.616 -2.022 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.340 -10.749 -4.161 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.170 -12.354 -3.479 1.00 11.77 H new ATOM 847 N ARG A 54 -3.787 -10.904 -1.301 1.00 8.53 N ATOM 848 CA ARG A 54 -5.017 -10.799 -0.579 1.00 9.05 C ATOM 849 C ARG A 54 -5.411 -9.364 -0.657 1.00 8.96 C ATOM 850 O ARG A 54 -4.790 -8.539 -1.325 1.00 11.60 O ATOM 851 CB ARG A 54 -4.780 -11.210 0.883 1.00 7.97 C ATOM 852 CG ARG A 54 -3.688 -12.262 1.095 1.00 9.62 C ATOM 853 CD ARG A 54 -4.036 -13.683 0.648 1.00 12.20 C ATOM 854 NE ARG A 54 -2.963 -14.603 1.120 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.994 -15.474 2.170 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.081 -15.670 2.972 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.901 -16.258 2.407 1.00 25.50 N ATOM 0 H ARG A 54 -2.972 -10.738 -0.711 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.795 -11.444 -0.988 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.521 -10.320 1.457 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.715 -11.592 1.292 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.793 -11.942 0.561 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.435 -12.287 2.155 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.000 -13.984 1.058 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.123 -13.728 -0.438 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.092 -14.579 0.589 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.941 -15.148 2.802 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.034 -16.339 3.741 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.081 -16.186 1.804 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.904 -16.915 3.187 1.00 25.50 H new ATOM 871 N THR A 55 -6.618 -9.048 -0.156 1.00 9.05 N ATOM 872 CA THR A 55 -7.170 -7.762 -0.451 1.00 9.03 C ATOM 873 C THR A 55 -7.247 -6.988 0.819 1.00 8.15 C ATOM 874 O THR A 55 -6.935 -7.425 1.926 1.00 5.91 O ATOM 875 CB THR A 55 -8.483 -7.788 -1.176 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.505 -8.371 -0.381 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.371 -8.635 -2.455 1.00 11.71 C ATOM 0 H THR A 55 -7.193 -9.654 0.430 1.00 9.05 H new ATOM 0 HA THR A 55 -6.503 -7.273 -1.161 1.00 9.03 H new ATOM 0 HB THR A 55 -8.733 -6.753 -1.408 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.348 -8.372 -0.881 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.331 -8.645 -2.970 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.612 -8.207 -3.110 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.090 -9.655 -2.193 1.00 11.71 H new ATOM 885 N LEU A 56 -7.637 -5.706 0.700 1.00 6.91 N ATOM 886 CA LEU A 56 -7.898 -4.873 1.833 1.00 8.29 C ATOM 887 C LEU A 56 -9.044 -5.329 2.669 1.00 8.05 C ATOM 888 O LEU A 56 -9.077 -5.175 3.888 1.00 10.17 O ATOM 889 CB LEU A 56 -8.088 -3.427 1.347 1.00 6.60 C ATOM 890 CG LEU A 56 -6.817 -2.910 0.652 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.171 -1.460 0.279 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.504 -2.897 1.453 1.00 9.85 C ATOM 0 H LEU A 56 -7.773 -5.240 -0.197 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.036 -4.936 2.497 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.930 -3.379 0.657 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.332 -2.784 2.193 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.590 -3.597 -0.164 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.323 -0.997 -0.226 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.036 -1.456 -0.385 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.405 -0.898 1.183 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.701 -2.507 0.828 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.620 -2.263 2.332 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.259 -3.912 1.767 1.00 9.85 H new ATOM 904 N SER A 57 -10.039 -5.965 2.024 1.00 8.92 N ATOM 905 CA SER A 57 -11.172 -6.548 2.673 1.00 9.00 C ATOM 906 C SER A 57 -10.915 -7.737 3.532 1.00 9.44 C ATOM 907 O SER A 57 -11.546 -7.965 4.563 1.00 10.91 O ATOM 908 CB SER A 57 -12.360 -6.786 1.725 1.00 10.32 C ATOM 909 OG SER A 57 -13.652 -6.992 2.277 1.00 13.59 O ATOM 0 H SER A 57 -10.054 -6.077 1.010 1.00 8.92 H new ATOM 0 HA SER A 57 -11.448 -5.766 3.380 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.422 -5.929 1.054 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.122 -7.655 1.111 1.00 10.32 H new ATOM 0 HG SER A 57 -14.299 -7.127 1.554 1.00 13.59 H new ATOM 915 N ASP A 58 -9.917 -8.573 3.194 1.00 9.11 N ATOM 916 CA ASP A 58 -9.385 -9.742 3.823 1.00 7.91 C ATOM 917 C ASP A 58 -8.832 -9.399 5.163 1.00 9.12 C ATOM 918 O ASP A 58 -9.080 -10.057 6.172 1.00 8.61 O ATOM 919 CB ASP A 58 -8.289 -10.487 3.042 1.00 8.41 C ATOM 920 CG ASP A 58 -9.021 -11.391 2.061 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.084 -11.985 2.384 1.00 10.05 O ATOM 922 OD2 ASP A 58 -8.530 -11.406 0.900 1.00 11.70 O ATOM 0 H ASP A 58 -9.402 -8.390 2.333 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.238 -10.418 3.881 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.638 -9.787 2.518 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.657 -11.069 3.713 1.00 8.41 H new ATOM 927 N TYR A 59 -7.988 -8.352 5.173 1.00 7.97 N ATOM 928 CA TYR A 59 -7.394 -7.987 6.422 1.00 8.45 C ATOM 929 C TYR A 59 -8.165 -6.997 7.226 1.00 10.98 C ATOM 930 O TYR A 59 -7.973 -6.778 8.421 1.00 12.95 O ATOM 931 CB TYR A 59 -6.024 -7.331 6.180 1.00 7.94 C ATOM 932 CG TYR A 59 -5.013 -8.311 5.692 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.351 -9.127 6.578 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.542 -8.292 4.401 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.418 -10.044 6.155 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.626 -9.223 3.970 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.025 -10.104 4.838 1.00 6.76 C ATOM 938 OH TYR A 59 -1.849 -10.830 4.555 1.00 7.63 O ATOM 0 H TYR A 59 -7.727 -7.785 4.366 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.347 -8.926 6.974 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.131 -6.527 5.451 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.671 -6.877 7.106 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.569 -9.046 7.633 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.896 -7.536 3.716 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.986 -10.729 6.869 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.372 -9.263 2.921 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.148 -10.578 5.192 1.00 7.63 H new ATOM 948 N ASN A 60 -9.045 -6.261 6.524 1.00 12.38 N ATOM 949 CA ASN A 60 -9.983 -5.309 7.035 1.00 13.94 C ATOM 950 C ASN A 60 -9.372 -3.960 7.198 1.00 14.16 C ATOM 951 O ASN A 60 -9.611 -3.245 8.169 1.00 14.26 O ATOM 952 CB ASN A 60 -10.854 -5.749 8.223 1.00 19.23 C ATOM 953 CG ASN A 60 -11.586 -7.083 8.238 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.253 -8.044 8.931 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.606 -7.194 7.346 1.00 24.09 N ATOM 0 H ASN A 60 -9.104 -6.340 5.509 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.733 -5.240 6.247 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.214 -5.732 9.105 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.609 -4.975 8.363 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.103 -8.079 7.247 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.875 -6.392 6.776 1.00 24.09 H new ATOM 962 N ILE A 61 -8.556 -3.524 6.222 1.00 11.08 N ATOM 963 CA ILE A 61 -8.061 -2.188 6.098 1.00 11.78 C ATOM 964 C ILE A 61 -9.124 -1.330 5.502 1.00 13.74 C ATOM 965 O ILE A 61 -9.574 -1.472 4.367 1.00 14.60 O ATOM 966 CB ILE A 61 -6.801 -2.102 5.290 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.695 -3.053 5.780 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.283 -0.660 5.156 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.413 -3.136 7.279 1.00 11.42 C ATOM 0 H ILE A 61 -8.223 -4.138 5.478 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.804 -1.835 7.097 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.080 -2.442 4.292 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.944 -4.056 5.434 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -4.768 -2.766 5.284 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.369 -0.655 4.562 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.038 -0.046 4.665 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.074 -0.255 6.146 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.608 -3.849 7.459 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.118 -2.154 7.649 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -6.312 -3.465 7.801 1.00 11.42 H new ATOM 981 N GLN A 62 -9.576 -0.359 6.316 1.00 13.97 N ATOM 982 CA GLN A 62 -10.630 0.533 5.943 1.00 15.52 C ATOM 983 C GLN A 62 -10.106 1.809 5.378 1.00 13.94 C ATOM 984 O GLN A 62 -8.905 1.992 5.186 1.00 12.15 O ATOM 985 CB GLN A 62 -11.415 0.784 7.241 1.00 19.53 C ATOM 986 CG GLN A 62 -12.072 -0.455 7.853 1.00 26.38 C ATOM 987 CD GLN A 62 -12.828 -0.108 9.128 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.999 0.236 8.974 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.242 -0.088 10.355 1.00 32.71 N ATOM 0 H GLN A 62 -9.203 -0.190 7.250 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.254 0.106 5.159 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.739 1.219 7.977 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.189 1.525 7.042 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.757 -0.900 7.131 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.310 -1.203 8.072 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.270 -0.377 10.461 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.775 0.216 11.170 1.00 32.71 H new ATOM 998 N LYS A 63 -11.021 2.758 5.112 1.00 11.73 N ATOM 999 CA LYS A 63 -10.740 4.081 4.648 1.00 11.97 C ATOM 1000 C LYS A 63 -10.026 4.904 5.664 1.00 10.41 C ATOM 1001 O LYS A 63 -10.185 4.713 6.868 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.028 4.766 4.162 1.00 13.73 C ATOM 1003 CG LYS A 63 -12.994 5.036 5.317 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.482 5.008 4.964 1.00 20.19 C ATOM 1005 CE LYS A 63 -14.945 5.880 3.795 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.407 6.075 3.677 1.00 25.97 N ATOM 0 H LYS A 63 -12.020 2.590 5.229 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.059 3.992 3.801 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.777 5.706 3.670 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.517 4.137 3.418 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -12.812 4.298 6.098 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.759 6.012 5.741 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.757 3.976 4.744 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.044 5.306 5.849 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -14.473 6.858 3.887 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -14.581 5.436 2.869 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.611 6.679 2.855 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.871 5.153 3.553 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.767 6.531 4.540 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.137 5.801 5.201 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.330 6.687 5.980 1.00 10.94 C ATOM 1022 C GLU A 64 -7.144 6.097 6.663 1.00 9.74 C ATOM 1023 O GLU A 64 -6.646 6.728 7.594 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.218 7.701 6.720 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.096 8.575 5.822 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.970 9.594 6.538 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.648 10.033 7.674 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -12.093 9.841 6.022 1.00 31.72 O ATOM 0 H GLU A 64 -8.971 5.914 4.201 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.735 7.299 5.302 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -9.861 7.159 7.413 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.579 8.350 7.319 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.451 9.106 5.122 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.740 7.924 5.231 1.00 24.16 H new ATOM 1035 N SER A 65 -6.762 4.852 6.327 1.00 6.85 N ATOM 1036 CA SER A 65 -5.779 4.152 7.094 1.00 6.90 C ATOM 1037 C SER A 65 -4.355 4.433 6.757 1.00 4.72 C ATOM 1038 O SER A 65 -3.956 4.540 5.598 1.00 3.91 O ATOM 1039 CB SER A 65 -5.830 2.642 6.806 1.00 7.28 C ATOM 1040 OG SER A 65 -7.045 1.966 7.094 1.00 10.56 O ATOM 0 H SER A 65 -7.131 4.333 5.530 1.00 6.85 H new ATOM 0 HA SER A 65 -6.029 4.475 8.105 1.00 6.90 H new ATOM 0 HB2 SER A 65 -5.602 2.492 5.751 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.034 2.163 7.376 1.00 7.28 H new ATOM 0 HG SER A 65 -7.717 2.199 6.419 1.00 10.56 H new ATOM 1046 N THR A 66 -3.469 4.505 7.766 1.00 4.48 N ATOM 1047 CA THR A 66 -2.162 5.042 7.550 1.00 3.80 C ATOM 1048 C THR A 66 -1.154 3.945 7.575 1.00 4.60 C ATOM 1049 O THR A 66 -0.760 3.403 8.606 1.00 5.33 O ATOM 1050 CB THR A 66 -1.739 6.133 8.490 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.665 7.207 8.421 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.370 6.699 8.076 1.00 3.40 C ATOM 0 H THR A 66 -3.654 4.196 8.720 1.00 4.48 H new ATOM 0 HA THR A 66 -2.216 5.517 6.570 1.00 3.80 H new ATOM 0 HB THR A 66 -1.692 5.710 9.494 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.388 7.918 9.037 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.078 7.489 8.768 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.375 5.903 8.099 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.435 7.106 7.067 1.00 3.40 H new ATOM 1060 N LEU A 67 -0.801 3.510 6.352 1.00 4.17 N ATOM 1061 CA LEU A 67 0.094 2.435 6.057 1.00 3.85 C ATOM 1062 C LEU A 67 1.469 3.002 5.981 1.00 3.80 C ATOM 1063 O LEU A 67 1.653 4.177 5.667 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.221 1.595 4.807 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.361 0.568 4.913 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.795 1.092 5.093 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.247 -0.435 3.752 1.00 8.12 C ATOM 0 H LEU A 67 -1.170 3.944 5.506 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.020 1.713 6.866 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.459 2.279 3.993 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.686 1.063 4.521 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.201 0.082 5.875 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.485 0.250 5.152 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.856 1.676 6.011 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.062 1.722 4.244 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.053 -1.166 3.822 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.321 0.097 2.803 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.287 -0.948 3.807 1.00 8.12 H new ATOM 1079 N HIS A 68 2.528 2.230 6.285 1.00 2.94 N ATOM 1080 CA HIS A 68 3.884 2.663 6.418 1.00 4.17 C ATOM 1081 C HIS A 68 4.727 1.843 5.503 1.00 5.32 C ATOM 1082 O HIS A 68 4.779 0.615 5.485 1.00 7.70 O ATOM 1083 CB HIS A 68 4.287 2.510 7.895 1.00 5.57 C ATOM 1084 CG HIS A 68 5.473 3.303 8.358 1.00 9.95 C ATOM 1085 ND1 HIS A 68 5.969 4.395 7.675 1.00 13.74 N ATOM 1086 CD2 HIS A 68 6.171 3.156 9.515 1.00 12.79 C ATOM 1087 CE1 HIS A 68 6.974 4.878 8.455 1.00 14.75 C ATOM 1088 NE2 HIS A 68 7.135 4.144 9.540 1.00 16.30 N ATOM 0 H HIS A 68 2.427 1.228 6.450 1.00 2.94 H new ATOM 0 HA HIS A 68 4.017 3.709 6.140 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.432 2.787 8.511 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.488 1.456 8.085 1.00 5.57 H new ATOM 0 HD1 HIS A 68 5.651 4.761 6.778 1.00 13.74 H new ATOM 0 HD2 HIS A 68 6.003 2.406 10.274 1.00 12.79 H new ATOM 0 HE1 HIS A 68 7.564 5.750 8.217 1.00 14.75 H new ATOM 1096 N LEU A 69 5.419 2.609 4.640 1.00 5.29 N ATOM 1097 CA LEU A 69 6.238 2.025 3.624 1.00 3.97 C ATOM 1098 C LEU A 69 7.649 1.912 4.089 1.00 5.07 C ATOM 1099 O LEU A 69 8.272 2.943 4.342 1.00 4.34 O ATOM 1100 CB LEU A 69 6.245 3.008 2.442 1.00 6.08 C ATOM 1101 CG LEU A 69 7.054 2.443 1.263 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.296 1.275 0.610 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.285 3.521 0.190 1.00 6.87 C ATOM 0 H LEU A 69 5.411 3.629 4.646 1.00 5.29 H new ATOM 0 HA LEU A 69 5.854 1.038 3.366 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.222 3.207 2.124 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.672 3.960 2.758 1.00 6.08 H new ATOM 0 HG LEU A 69 8.012 2.102 1.655 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.879 0.884 -0.224 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.140 0.486 1.346 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.331 1.626 0.244 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.859 3.097 -0.634 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.324 3.875 -0.182 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.836 4.355 0.625 1.00 6.87 H new ATOM 1115 N VAL A 70 8.187 0.699 4.306 1.00 4.29 N ATOM 1116 CA VAL A 70 9.466 0.479 4.906 1.00 6.26 C ATOM 1117 C VAL A 70 10.378 0.117 3.784 1.00 9.22 C ATOM 1118 O VAL A 70 10.107 -0.804 3.015 1.00 9.36 O ATOM 1119 CB VAL A 70 9.419 -0.421 6.105 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.813 -0.484 6.753 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.408 0.053 7.163 1.00 8.54 C ATOM 0 H VAL A 70 7.710 -0.166 4.052 1.00 4.29 H new ATOM 0 HA VAL A 70 9.871 1.369 5.388 1.00 6.26 H new ATOM 0 HB VAL A 70 9.102 -1.403 5.754 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.780 -1.138 7.625 1.00 9.76 H new ATOM 0 HG12 VAL A 70 11.532 -0.875 6.033 1.00 9.76 H new ATOM 0 HG13 VAL A 70 11.116 0.516 7.061 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.416 -0.635 8.008 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.681 1.051 7.505 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.410 0.079 6.726 1.00 8.54 H new ATOM 1131 N LEU A 71 11.576 0.714 3.650 1.00 12.71 N ATOM 1132 CA LEU A 71 12.329 0.469 2.460 1.00 16.06 C ATOM 1133 C LEU A 71 13.394 -0.555 2.654 1.00 18.09 C ATOM 1134 O LEU A 71 14.302 -0.454 3.478 1.00 19.26 O ATOM 1135 CB LEU A 71 13.061 1.719 1.943 1.00 17.10 C ATOM 1136 CG LEU A 71 12.129 2.726 1.249 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.012 2.188 0.338 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.281 3.613 2.176 1.00 17.51 C ATOM 0 H LEU A 71 12.008 1.338 4.331 1.00 12.71 H new ATOM 0 HA LEU A 71 11.575 0.132 1.749 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.559 2.211 2.778 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.839 1.413 1.244 1.00 17.10 H new ATOM 0 HG LEU A 71 12.924 3.233 0.702 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.445 3.023 -0.074 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.452 1.611 -0.476 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.346 1.548 0.917 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.664 4.282 1.576 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.639 2.985 2.794 1.00 17.51 H new ATOM 0 HD23 LEU A 71 11.937 4.202 2.817 1.00 17.51 H new