USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 1 MET N :NH3+ -145:sc= -0.621 (180deg=-2.59!) USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0141 (180deg=-0.26) USER MOD Single : A 28 MET CE :methyl 155:sc= -0.165 (180deg=-1.02) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0786) USER MOD Single : A 33 GLN : amide:sc= -0.697 K(o=-0.7,f=-3.8!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0734 (180deg=-0.586) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -68:sc= 0.916 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 150:sc= -0.429 USER MOD Single : A 64 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.6) USER MOD Single : A 70 SER OG : rot 180:sc= -0.245 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.718 1.068 -10.292 1.00 0.00 N ATOM 2 CA MET A 1 71.508 0.260 -10.605 1.00 0.00 C ATOM 3 C MET A 1 71.764 -1.197 -10.238 1.00 0.00 C ATOM 4 O MET A 1 72.251 -1.978 -11.054 1.00 0.00 O ATOM 5 CB MET A 1 71.196 0.380 -12.098 1.00 0.00 C ATOM 6 CG MET A 1 69.922 -0.403 -12.424 1.00 0.00 C ATOM 7 SD MET A 1 69.496 -0.157 -14.165 1.00 0.00 S ATOM 8 CE MET A 1 68.030 -1.216 -14.197 1.00 0.00 C ATOM 0 H1 MET A 1 72.430 2.012 -9.966 1.00 0.00 H new ATOM 0 H2 MET A 1 73.267 0.596 -9.545 1.00 0.00 H new ATOM 0 H3 MET A 1 73.304 1.161 -11.146 1.00 0.00 H new ATOM 0 HA MET A 1 70.657 0.626 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.070 1.428 -12.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.030 -0.003 -12.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.071 -1.463 -12.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.103 -0.069 -11.787 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.599 -1.210 -15.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.311 -2.234 -13.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.296 -0.842 -13.484 1.00 0.00 H new ATOM 20 N TYR A 2 71.428 -1.558 -9.000 1.00 0.00 N ATOM 21 CA TYR A 2 71.620 -2.927 -8.516 1.00 0.00 C ATOM 22 C TYR A 2 70.308 -3.462 -7.949 1.00 0.00 C ATOM 23 O TYR A 2 69.491 -2.706 -7.427 1.00 0.00 O ATOM 24 CB TYR A 2 72.721 -2.950 -7.433 1.00 0.00 C ATOM 25 CG TYR A 2 73.501 -4.256 -7.492 1.00 0.00 C ATOM 26 CD1 TYR A 2 73.066 -5.390 -6.777 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.667 -4.344 -8.276 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.787 -6.588 -6.844 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.382 -5.547 -8.343 1.00 0.00 C ATOM 30 CZ TYR A 2 74.943 -6.666 -7.628 1.00 0.00 C ATOM 31 OH TYR A 2 75.648 -7.851 -7.701 1.00 0.00 O ATOM 0 H TYR A 2 71.022 -0.923 -8.313 1.00 0.00 H new ATOM 0 HA TYR A 2 71.930 -3.563 -9.345 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.398 -2.108 -7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.272 -2.832 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 2 72.172 -5.334 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.011 -3.482 -8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 2 73.451 -7.452 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.274 -5.610 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 2 76.424 -7.735 -8.289 1.00 0.00 H new ATOM 41 N GLU A 3 70.112 -4.773 -8.067 1.00 0.00 N ATOM 42 CA GLU A 3 68.892 -5.414 -7.572 1.00 0.00 C ATOM 43 C GLU A 3 69.241 -6.536 -6.603 1.00 0.00 C ATOM 44 O GLU A 3 70.141 -7.339 -6.860 1.00 0.00 O ATOM 45 CB GLU A 3 68.081 -5.981 -8.743 1.00 0.00 C ATOM 46 CG GLU A 3 67.510 -4.835 -9.586 1.00 0.00 C ATOM 47 CD GLU A 3 66.819 -5.402 -10.822 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.786 -6.615 -10.951 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.341 -4.617 -11.625 1.00 0.00 O ATOM 0 H GLU A 3 70.779 -5.412 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 3 68.295 -4.665 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.714 -6.618 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.271 -6.606 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.801 -4.254 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.309 -4.156 -9.883 1.00 0.00 H new ATOM 56 N PHE A 4 68.521 -6.591 -5.484 1.00 0.00 N ATOM 57 CA PHE A 4 68.752 -7.630 -4.475 1.00 0.00 C ATOM 58 C PHE A 4 67.694 -8.718 -4.625 1.00 0.00 C ATOM 59 O PHE A 4 66.496 -8.452 -4.520 1.00 0.00 O ATOM 60 CB PHE A 4 68.721 -7.011 -3.056 1.00 0.00 C ATOM 61 CG PHE A 4 68.418 -8.054 -1.982 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.281 -9.145 -1.768 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.260 -7.925 -1.191 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.983 -10.090 -0.777 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.970 -8.868 -0.207 1.00 0.00 C ATOM 66 CZ PHE A 4 67.829 -9.951 0.003 1.00 0.00 C ATOM 0 H PHE A 4 67.776 -5.934 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 4 69.736 -8.076 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.682 -6.542 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.967 -6.224 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.173 -9.254 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.593 -7.090 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.645 -10.928 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.080 -8.762 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.602 -10.680 0.767 1.00 0.00 H new ATOM 76 N LYS A 5 68.151 -9.939 -4.894 1.00 0.00 N ATOM 77 CA LYS A 5 67.248 -11.072 -5.087 1.00 0.00 C ATOM 78 C LYS A 5 67.591 -12.209 -4.134 1.00 0.00 C ATOM 79 O LYS A 5 68.753 -12.416 -3.787 1.00 0.00 O ATOM 80 CB LYS A 5 67.354 -11.572 -6.531 1.00 0.00 C ATOM 81 CG LYS A 5 66.822 -10.503 -7.485 1.00 0.00 C ATOM 82 CD LYS A 5 66.885 -11.024 -8.921 1.00 0.00 C ATOM 83 CE LYS A 5 66.330 -9.962 -9.872 1.00 0.00 C ATOM 84 NZ LYS A 5 66.419 -10.448 -11.279 1.00 0.00 N ATOM 0 H LYS A 5 69.141 -10.169 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 5 66.231 -10.740 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.392 -11.804 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.786 -12.495 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.795 -10.247 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.412 -9.591 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.914 -11.264 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.309 -11.945 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.293 -9.740 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.890 -9.034 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.041 -9.723 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.413 -10.638 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.865 -11.323 -11.380 1.00 0.00 H new ATOM 98 N LEU A 6 66.567 -12.941 -3.714 1.00 0.00 N ATOM 99 CA LEU A 6 66.773 -14.060 -2.798 1.00 0.00 C ATOM 100 C LEU A 6 67.354 -15.259 -3.567 1.00 0.00 C ATOM 101 O LEU A 6 66.704 -15.779 -4.472 1.00 0.00 O ATOM 102 CB LEU A 6 65.442 -14.451 -2.121 1.00 0.00 C ATOM 103 CG LEU A 6 65.674 -15.564 -1.061 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.761 -15.331 0.151 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.353 -16.947 -1.651 1.00 0.00 C ATOM 0 H LEU A 6 65.597 -12.785 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 6 67.478 -13.760 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.998 -13.576 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.734 -14.799 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 6 66.720 -15.529 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.929 -16.115 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.985 -14.361 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.719 -15.352 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.521 -17.713 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.311 -16.974 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.999 -17.136 -2.508 1.00 0.00 H new ATOM 117 N PRO A 7 68.561 -15.707 -3.259 1.00 0.00 N ATOM 118 CA PRO A 7 69.186 -16.858 -3.981 1.00 0.00 C ATOM 119 C PRO A 7 68.602 -18.206 -3.564 1.00 0.00 C ATOM 120 O PRO A 7 68.071 -18.355 -2.465 1.00 0.00 O ATOM 121 CB PRO A 7 70.671 -16.740 -3.616 1.00 0.00 C ATOM 122 CG PRO A 7 70.672 -16.143 -2.247 1.00 0.00 C ATOM 123 CD PRO A 7 69.469 -15.193 -2.201 1.00 0.00 C ATOM 0 HA PRO A 7 69.005 -16.819 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.161 -17.714 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.205 -16.108 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.588 -16.917 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.601 -15.606 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.988 -15.205 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.767 -14.163 -2.397 1.00 0.00 H new ATOM 131 N ASP A 8 68.707 -19.179 -4.466 1.00 0.00 N ATOM 132 CA ASP A 8 68.192 -20.520 -4.214 1.00 0.00 C ATOM 133 C ASP A 8 69.215 -21.344 -3.436 1.00 0.00 C ATOM 134 O ASP A 8 70.071 -22.003 -4.026 1.00 0.00 O ATOM 135 CB ASP A 8 67.882 -21.207 -5.546 1.00 0.00 C ATOM 136 CG ASP A 8 69.142 -21.290 -6.399 1.00 0.00 C ATOM 137 OD1 ASP A 8 70.114 -20.640 -6.055 1.00 0.00 O ATOM 138 OD2 ASP A 8 69.117 -22.010 -7.385 1.00 0.00 O ATOM 0 H ASP A 8 69.145 -19.062 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 8 67.280 -20.443 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.490 -22.208 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 8 67.109 -20.653 -6.078 1.00 0.00 H new ATOM 143 N ILE A 9 69.119 -21.304 -2.106 1.00 0.00 N ATOM 144 CA ILE A 9 70.043 -22.053 -1.251 1.00 0.00 C ATOM 145 C ILE A 9 69.414 -23.374 -0.821 1.00 0.00 C ATOM 146 O ILE A 9 70.024 -24.162 -0.098 1.00 0.00 O ATOM 147 CB ILE A 9 70.414 -21.236 -0.010 1.00 0.00 C ATOM 148 CG1 ILE A 9 69.153 -20.683 0.664 1.00 0.00 C ATOM 149 CG2 ILE A 9 71.328 -20.068 -0.403 1.00 0.00 C ATOM 150 CD1 ILE A 9 69.536 -20.009 1.985 1.00 0.00 C ATOM 0 H ILE A 9 68.416 -20.765 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 9 70.947 -22.255 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 9 70.936 -21.891 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.661 -19.966 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 9 68.442 -21.489 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 71.586 -19.493 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 9 72.238 -20.456 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 9 70.810 -19.424 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.640 -19.615 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.009 -20.739 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.231 -19.193 1.789 1.00 0.00 H new ATOM 162 N GLY A 10 68.186 -23.611 -1.272 1.00 0.00 N ATOM 163 CA GLY A 10 67.466 -24.842 -0.933 1.00 0.00 C ATOM 164 C GLY A 10 66.771 -25.422 -2.161 1.00 0.00 C ATOM 165 O GLY A 10 66.017 -24.730 -2.848 1.00 0.00 O ATOM 0 H GLY A 10 67.666 -22.971 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 10 68.162 -25.574 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 10 66.729 -24.635 -0.157 1.00 0.00 H new ATOM 169 N GLU A 11 67.027 -26.698 -2.429 1.00 0.00 N ATOM 170 CA GLU A 11 66.418 -27.364 -3.577 1.00 0.00 C ATOM 171 C GLU A 11 64.908 -27.474 -3.393 1.00 0.00 C ATOM 172 O GLU A 11 64.144 -27.341 -4.348 1.00 0.00 O ATOM 173 CB GLU A 11 67.016 -28.761 -3.754 1.00 0.00 C ATOM 174 CG GLU A 11 66.461 -29.397 -5.030 1.00 0.00 C ATOM 175 CD GLU A 11 67.130 -30.746 -5.269 1.00 0.00 C ATOM 176 OE1 GLU A 11 67.820 -31.207 -4.377 1.00 0.00 O ATOM 177 OE2 GLU A 11 66.941 -31.298 -6.341 1.00 0.00 O ATOM 0 H GLU A 11 67.646 -27.288 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 11 66.623 -26.769 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 68.103 -28.698 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.776 -29.383 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 65.382 -29.526 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 11 66.636 -28.739 -5.881 1.00 0.00 H new ATOM 184 N GLY A 12 64.488 -27.709 -2.152 1.00 0.00 N ATOM 185 CA GLY A 12 63.063 -27.831 -1.840 1.00 0.00 C ATOM 186 C GLY A 12 62.485 -26.480 -1.437 1.00 0.00 C ATOM 187 O GLY A 12 62.304 -26.202 -0.251 1.00 0.00 O ATOM 0 H GLY A 12 65.108 -27.818 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 12 62.527 -28.218 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 12 62.922 -28.549 -1.032 1.00 0.00 H new ATOM 191 N VAL A 13 62.195 -25.642 -2.434 1.00 0.00 N ATOM 192 CA VAL A 13 61.629 -24.311 -2.180 1.00 0.00 C ATOM 193 C VAL A 13 60.389 -24.095 -3.045 1.00 0.00 C ATOM 194 O VAL A 13 60.409 -24.349 -4.248 1.00 0.00 O ATOM 195 CB VAL A 13 62.691 -23.234 -2.474 1.00 0.00 C ATOM 196 CG1 VAL A 13 62.045 -21.843 -2.524 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.746 -23.250 -1.359 1.00 0.00 C ATOM 0 H VAL A 13 62.341 -25.857 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 13 61.333 -24.237 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 13 63.152 -23.449 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 13 62.809 -21.094 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 13 61.290 -21.820 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 13 61.576 -21.625 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.501 -22.490 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 13 63.267 -23.041 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 13 64.220 -24.231 -1.321 1.00 0.00 H new ATOM 207 N THR A 14 59.301 -23.639 -2.418 1.00 0.00 N ATOM 208 CA THR A 14 58.042 -23.403 -3.133 1.00 0.00 C ATOM 209 C THR A 14 57.524 -21.990 -2.885 1.00 0.00 C ATOM 210 O THR A 14 56.722 -21.474 -3.665 1.00 0.00 O ATOM 211 CB THR A 14 56.998 -24.431 -2.680 1.00 0.00 C ATOM 212 OG1 THR A 14 57.606 -25.713 -2.621 1.00 0.00 O ATOM 213 CG2 THR A 14 55.835 -24.467 -3.676 1.00 0.00 C ATOM 0 H THR A 14 59.266 -23.426 -1.421 1.00 0.00 H new ATOM 0 HA THR A 14 58.225 -23.511 -4.202 1.00 0.00 H new ATOM 0 HB THR A 14 56.618 -24.153 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 14 56.945 -26.376 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 14 55.097 -25.199 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.370 -23.482 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.208 -24.745 -4.662 1.00 0.00 H new ATOM 221 N GLU A 15 57.987 -21.358 -1.808 1.00 0.00 N ATOM 222 CA GLU A 15 57.555 -19.997 -1.498 1.00 0.00 C ATOM 223 C GLU A 15 58.371 -19.402 -0.357 1.00 0.00 C ATOM 224 O GLU A 15 58.774 -20.113 0.564 1.00 0.00 O ATOM 225 CB GLU A 15 56.056 -19.959 -1.158 1.00 0.00 C ATOM 226 CG GLU A 15 55.781 -20.567 0.229 1.00 0.00 C ATOM 227 CD GLU A 15 54.285 -20.537 0.524 1.00 0.00 C ATOM 228 OE1 GLU A 15 53.514 -20.811 -0.381 1.00 0.00 O ATOM 229 OE2 GLU A 15 53.935 -20.252 1.659 1.00 0.00 O ATOM 0 H GLU A 15 58.651 -21.759 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 15 57.724 -19.391 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.702 -18.929 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 55.495 -20.507 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.147 -21.593 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.322 -20.009 0.993 1.00 0.00 H new ATOM 236 N GLY A 16 58.609 -18.088 -0.415 1.00 0.00 N ATOM 237 CA GLY A 16 59.376 -17.405 0.631 1.00 0.00 C ATOM 238 C GLY A 16 58.459 -16.534 1.482 1.00 0.00 C ATOM 239 O GLY A 16 57.306 -16.301 1.121 1.00 0.00 O ATOM 0 H GLY A 16 58.285 -17.481 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 16 59.877 -18.140 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.154 -16.790 0.178 1.00 0.00 H new ATOM 243 N GLU A 17 58.971 -16.047 2.608 1.00 0.00 N ATOM 244 CA GLU A 17 58.175 -15.196 3.488 1.00 0.00 C ATOM 245 C GLU A 17 59.082 -14.325 4.352 1.00 0.00 C ATOM 246 O GLU A 17 60.155 -14.756 4.775 1.00 0.00 O ATOM 247 CB GLU A 17 57.272 -16.056 4.376 1.00 0.00 C ATOM 248 CG GLU A 17 56.351 -15.150 5.195 1.00 0.00 C ATOM 249 CD GLU A 17 55.390 -15.991 6.029 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.623 -17.183 6.147 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.427 -15.432 6.527 1.00 0.00 O ATOM 0 H GLU A 17 59.922 -16.224 2.931 1.00 0.00 H new ATOM 0 HA GLU A 17 57.553 -14.547 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.680 -16.735 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.878 -16.673 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.945 -14.510 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.789 -14.494 4.530 1.00 0.00 H new ATOM 258 N ILE A 18 58.654 -13.087 4.587 1.00 0.00 N ATOM 259 CA ILE A 18 59.445 -12.138 5.385 1.00 0.00 C ATOM 260 C ILE A 18 58.885 -11.995 6.802 1.00 0.00 C ATOM 261 O ILE A 18 57.726 -11.622 6.984 1.00 0.00 O ATOM 262 CB ILE A 18 59.440 -10.770 4.688 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.201 -10.851 3.348 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.079 -9.704 5.585 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.722 -10.752 3.560 1.00 0.00 C ATOM 0 H ILE A 18 57.770 -12.714 4.241 1.00 0.00 H new ATOM 0 HA ILE A 18 60.463 -12.519 5.464 1.00 0.00 H new ATOM 0 HB ILE A 18 58.405 -10.489 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.962 -11.790 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.870 -10.047 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.066 -8.742 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.517 -9.627 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.109 -9.984 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.228 -10.812 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.962 -9.802 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.055 -11.572 4.197 1.00 0.00 H new ATOM 277 N VAL A 19 59.717 -12.296 7.807 1.00 0.00 N ATOM 278 CA VAL A 19 59.288 -12.191 9.205 1.00 0.00 C ATOM 279 C VAL A 19 59.623 -10.818 9.791 1.00 0.00 C ATOM 280 O VAL A 19 58.784 -10.213 10.461 1.00 0.00 O ATOM 281 CB VAL A 19 59.947 -13.270 10.065 1.00 0.00 C ATOM 282 CG1 VAL A 19 59.495 -14.655 9.597 1.00 0.00 C ATOM 283 CG2 VAL A 19 61.471 -13.153 9.967 1.00 0.00 C ATOM 0 H VAL A 19 60.679 -12.610 7.680 1.00 0.00 H new ATOM 0 HA VAL A 19 58.207 -12.329 9.214 1.00 0.00 H new ATOM 0 HB VAL A 19 59.648 -13.133 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.968 -15.420 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 19 58.412 -14.734 9.688 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.783 -14.799 8.556 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.935 -13.924 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.780 -13.281 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.784 -12.170 10.320 1.00 0.00 H new ATOM 293 N ARG A 20 60.844 -10.323 9.553 1.00 0.00 N ATOM 294 CA ARG A 20 61.243 -9.018 10.094 1.00 0.00 C ATOM 295 C ARG A 20 62.057 -8.206 9.091 1.00 0.00 C ATOM 296 O ARG A 20 62.840 -8.751 8.314 1.00 0.00 O ATOM 297 CB ARG A 20 62.081 -9.214 11.359 1.00 0.00 C ATOM 298 CG ARG A 20 61.198 -9.755 12.487 1.00 0.00 C ATOM 299 CD ARG A 20 62.053 -9.975 13.737 1.00 0.00 C ATOM 300 NE ARG A 20 61.239 -10.502 14.826 1.00 0.00 N ATOM 301 CZ ARG A 20 60.531 -9.699 15.614 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.542 -8.409 15.415 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.826 -10.204 16.589 1.00 0.00 N ATOM 0 H ARG A 20 61.560 -10.795 9.001 1.00 0.00 H new ATOM 0 HA ARG A 20 60.328 -8.470 10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.899 -9.907 11.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.531 -8.267 11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.392 -9.053 12.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.732 -10.692 12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.864 -10.668 13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.512 -9.034 14.041 1.00 0.00 H new ATOM 0 HE ARG A 20 61.212 -11.509 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.095 -8.015 14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 20 59.998 -7.795 16.021 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.819 -11.212 16.745 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.282 -9.591 17.196 1.00 0.00 H new ATOM 317 N TRP A 21 61.882 -6.883 9.153 1.00 0.00 N ATOM 318 CA TRP A 21 62.619 -5.952 8.288 1.00 0.00 C ATOM 319 C TRP A 21 63.543 -5.083 9.151 1.00 0.00 C ATOM 320 O TRP A 21 63.175 -4.699 10.263 1.00 0.00 O ATOM 321 CB TRP A 21 61.644 -5.035 7.507 1.00 0.00 C ATOM 322 CG TRP A 21 61.212 -5.656 6.208 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.926 -5.921 5.888 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.013 -6.062 5.051 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.882 -6.474 4.624 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.137 -6.577 4.065 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.392 -6.040 4.756 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.607 -7.050 2.837 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.866 -6.513 3.518 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.975 -7.015 2.562 1.00 0.00 C ATOM 0 H TRP A 21 61.233 -6.429 9.796 1.00 0.00 H new ATOM 0 HA TRP A 21 63.203 -6.531 7.573 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.767 -4.830 8.121 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.125 -4.077 7.309 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.071 -5.731 6.519 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.024 -6.771 4.160 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.090 -5.657 5.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.916 -7.440 2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.924 -6.488 3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.345 -7.375 1.613 1.00 0.00 H new ATOM 341 N ASP A 22 64.736 -4.775 8.635 1.00 0.00 N ATOM 342 CA ASP A 22 65.700 -3.942 9.372 1.00 0.00 C ATOM 343 C ASP A 22 66.008 -2.651 8.623 1.00 0.00 C ATOM 344 O ASP A 22 66.915 -1.912 9.005 1.00 0.00 O ATOM 345 CB ASP A 22 67.007 -4.705 9.586 1.00 0.00 C ATOM 346 CG ASP A 22 67.935 -3.899 10.488 1.00 0.00 C ATOM 347 OD1 ASP A 22 67.548 -3.638 11.615 1.00 0.00 O ATOM 348 OD2 ASP A 22 69.019 -3.561 10.042 1.00 0.00 O ATOM 0 H ASP A 22 65.059 -5.085 7.718 1.00 0.00 H new ATOM 0 HA ASP A 22 65.247 -3.696 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.802 -5.677 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.490 -4.893 8.627 1.00 0.00 H new ATOM 353 N VAL A 23 65.268 -2.383 7.549 1.00 0.00 N ATOM 354 CA VAL A 23 65.498 -1.174 6.755 1.00 0.00 C ATOM 355 C VAL A 23 64.173 -0.490 6.414 1.00 0.00 C ATOM 356 O VAL A 23 63.122 -1.129 6.391 1.00 0.00 O ATOM 357 CB VAL A 23 66.245 -1.556 5.467 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.360 -2.550 5.812 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.278 -2.204 4.459 1.00 0.00 C ATOM 0 H VAL A 23 64.512 -2.978 7.210 1.00 0.00 H new ATOM 0 HA VAL A 23 66.099 -0.473 7.335 1.00 0.00 H new ATOM 0 HB VAL A 23 66.669 -0.657 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.895 -2.826 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.053 -2.089 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.925 -3.442 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.822 -2.469 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.844 -3.103 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.483 -1.500 4.213 1.00 0.00 H new ATOM 369 N LYS A 24 64.234 0.813 6.149 1.00 0.00 N ATOM 370 CA LYS A 24 63.036 1.581 5.804 1.00 0.00 C ATOM 371 C LYS A 24 63.348 2.575 4.689 1.00 0.00 C ATOM 372 O LYS A 24 64.456 3.104 4.610 1.00 0.00 O ATOM 373 CB LYS A 24 62.523 2.337 7.030 1.00 0.00 C ATOM 374 CG LYS A 24 62.073 1.337 8.099 1.00 0.00 C ATOM 375 CD LYS A 24 61.595 2.092 9.339 1.00 0.00 C ATOM 376 CE LYS A 24 61.233 1.086 10.433 1.00 0.00 C ATOM 377 NZ LYS A 24 60.026 0.314 10.021 1.00 0.00 N ATOM 0 H LYS A 24 65.095 1.359 6.166 1.00 0.00 H new ATOM 0 HA LYS A 24 62.269 0.887 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.308 2.981 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.692 2.984 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.270 0.711 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.897 0.673 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.375 2.766 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.729 2.707 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 62.068 0.408 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.042 1.607 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.621 -0.165 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.320 0.962 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.294 -0.394 9.308 1.00 0.00 H new ATOM 391 N GLU A 25 62.360 2.817 3.834 1.00 0.00 N ATOM 392 CA GLU A 25 62.531 3.747 2.720 1.00 0.00 C ATOM 393 C GLU A 25 62.843 5.153 3.227 1.00 0.00 C ATOM 394 O GLU A 25 62.252 5.621 4.200 1.00 0.00 O ATOM 395 CB GLU A 25 61.266 3.763 1.847 1.00 0.00 C ATOM 396 CG GLU A 25 60.021 3.648 2.730 1.00 0.00 C ATOM 397 CD GLU A 25 58.776 3.986 1.918 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.875 4.822 1.036 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.743 3.392 2.181 1.00 0.00 O ATOM 0 H GLU A 25 61.437 2.386 3.889 1.00 0.00 H new ATOM 0 HA GLU A 25 63.374 3.409 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.226 4.684 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.295 2.938 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.941 2.638 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.105 4.323 3.582 1.00 0.00 H new ATOM 406 N GLY A 26 63.779 5.822 2.550 1.00 0.00 N ATOM 407 CA GLY A 26 64.170 7.179 2.925 1.00 0.00 C ATOM 408 C GLY A 26 65.307 7.175 3.946 1.00 0.00 C ATOM 409 O GLY A 26 65.659 8.224 4.488 1.00 0.00 O ATOM 0 H GLY A 26 64.277 5.447 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.481 7.728 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.310 7.705 3.340 1.00 0.00 H new ATOM 413 N ASP A 27 65.874 5.995 4.214 1.00 0.00 N ATOM 414 CA ASP A 27 66.971 5.874 5.187 1.00 0.00 C ATOM 415 C ASP A 27 68.225 5.298 4.531 1.00 0.00 C ATOM 416 O ASP A 27 68.141 4.497 3.600 1.00 0.00 O ATOM 417 CB ASP A 27 66.530 4.974 6.343 1.00 0.00 C ATOM 418 CG ASP A 27 67.553 5.006 7.472 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.586 5.632 7.301 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.283 4.408 8.500 1.00 0.00 O ATOM 0 H ASP A 27 65.597 5.116 3.777 1.00 0.00 H new ATOM 0 HA ASP A 27 67.211 6.868 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.560 5.302 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.406 3.951 5.987 1.00 0.00 H new ATOM 425 N MET A 28 69.385 5.723 5.026 1.00 0.00 N ATOM 426 CA MET A 28 70.667 5.257 4.494 1.00 0.00 C ATOM 427 C MET A 28 71.060 3.925 5.131 1.00 0.00 C ATOM 428 O MET A 28 70.699 3.646 6.274 1.00 0.00 O ATOM 429 CB MET A 28 71.756 6.301 4.771 1.00 0.00 C ATOM 430 CG MET A 28 71.462 7.568 3.964 1.00 0.00 C ATOM 431 SD MET A 28 72.647 8.864 4.410 1.00 0.00 S ATOM 432 CE MET A 28 74.134 8.074 3.747 1.00 0.00 C ATOM 0 H MET A 28 69.466 6.389 5.794 1.00 0.00 H new ATOM 0 HA MET A 28 70.564 5.115 3.418 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.790 6.534 5.835 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.734 5.903 4.501 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.526 7.354 2.897 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.445 7.908 4.160 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.876 8.836 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.544 7.389 4.489 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.880 7.520 2.843 1.00 0.00 H new ATOM 442 N VAL A 29 71.797 3.101 4.381 1.00 0.00 N ATOM 443 CA VAL A 29 72.237 1.789 4.872 1.00 0.00 C ATOM 444 C VAL A 29 73.763 1.711 4.883 1.00 0.00 C ATOM 445 O VAL A 29 74.420 2.084 3.912 1.00 0.00 O ATOM 446 CB VAL A 29 71.667 0.681 3.974 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.319 -0.663 4.317 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.158 0.580 4.189 1.00 0.00 C ATOM 0 H VAL A 29 72.102 3.318 3.432 1.00 0.00 H new ATOM 0 HA VAL A 29 71.871 1.654 5.890 1.00 0.00 H new ATOM 0 HB VAL A 29 71.877 0.924 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.908 -1.441 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.396 -0.595 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.118 -0.909 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.752 -0.206 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.954 0.343 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.690 1.531 3.935 1.00 0.00 H new ATOM 458 N GLU A 30 74.321 1.217 5.990 1.00 0.00 N ATOM 459 CA GLU A 30 75.772 1.084 6.125 1.00 0.00 C ATOM 460 C GLU A 30 76.198 -0.368 5.905 1.00 0.00 C ATOM 461 O GLU A 30 75.406 -1.292 6.092 1.00 0.00 O ATOM 462 CB GLU A 30 76.205 1.529 7.525 1.00 0.00 C ATOM 463 CG GLU A 30 75.953 3.035 7.702 1.00 0.00 C ATOM 464 CD GLU A 30 74.486 3.292 8.045 1.00 0.00 C ATOM 465 OE1 GLU A 30 73.720 2.343 8.042 1.00 0.00 O ATOM 466 OE2 GLU A 30 74.155 4.435 8.309 1.00 0.00 O ATOM 0 H GLU A 30 73.792 0.903 6.803 1.00 0.00 H new ATOM 0 HA GLU A 30 76.249 1.714 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.653 0.969 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.262 1.309 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.592 3.427 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.217 3.565 6.787 1.00 0.00 H new ATOM 473 N LYS A 31 77.450 -0.561 5.500 1.00 0.00 N ATOM 474 CA LYS A 31 77.969 -1.903 5.253 1.00 0.00 C ATOM 475 C LYS A 31 78.164 -2.667 6.566 1.00 0.00 C ATOM 476 O LYS A 31 78.619 -2.104 7.559 1.00 0.00 O ATOM 477 CB LYS A 31 79.302 -1.813 4.490 1.00 0.00 C ATOM 478 CG LYS A 31 79.942 -3.203 4.306 1.00 0.00 C ATOM 479 CD LYS A 31 79.027 -4.098 3.458 1.00 0.00 C ATOM 480 CE LYS A 31 79.819 -5.307 2.954 1.00 0.00 C ATOM 481 NZ LYS A 31 80.218 -6.161 4.108 1.00 0.00 N ATOM 0 H LYS A 31 78.121 0.190 5.337 1.00 0.00 H new ATOM 0 HA LYS A 31 77.243 -2.448 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.134 -1.357 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.990 -1.163 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 31 80.914 -3.103 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 31 80.115 -3.664 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.175 -4.430 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 78.629 -3.534 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.215 -5.884 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.704 -4.974 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.604 -7.060 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.942 -5.669 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 79.387 -6.350 4.704 1.00 0.00 H new ATOM 495 N ASP A 32 77.836 -3.962 6.536 1.00 0.00 N ATOM 496 CA ASP A 32 77.989 -4.835 7.708 1.00 0.00 C ATOM 497 C ASP A 32 76.829 -4.673 8.691 1.00 0.00 C ATOM 498 O ASP A 32 77.024 -4.241 9.827 1.00 0.00 O ATOM 499 CB ASP A 32 79.322 -4.557 8.433 1.00 0.00 C ATOM 500 CG ASP A 32 79.757 -5.785 9.234 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.561 -6.887 8.749 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.286 -5.602 10.319 1.00 0.00 O ATOM 0 H ASP A 32 77.462 -4.432 5.712 1.00 0.00 H new ATOM 0 HA ASP A 32 77.987 -5.861 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 32 80.092 -4.297 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.210 -3.701 9.099 1.00 0.00 H new ATOM 507 N GLN A 33 75.621 -5.035 8.257 1.00 0.00 N ATOM 508 CA GLN A 33 74.437 -4.937 9.118 1.00 0.00 C ATOM 509 C GLN A 33 73.531 -6.150 8.910 1.00 0.00 C ATOM 510 O GLN A 33 72.626 -6.113 8.076 1.00 0.00 O ATOM 511 CB GLN A 33 73.661 -3.662 8.778 1.00 0.00 C ATOM 512 CG GLN A 33 74.492 -2.439 9.173 1.00 0.00 C ATOM 513 CD GLN A 33 73.750 -1.160 8.801 1.00 0.00 C ATOM 514 OE1 GLN A 33 73.507 -0.904 7.621 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.393 -0.329 9.741 1.00 0.00 N ATOM 0 H GLN A 33 75.435 -5.397 7.322 1.00 0.00 H new ATOM 0 HA GLN A 33 74.759 -4.907 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 33 73.436 -3.634 7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 33 72.707 -3.653 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 33 74.691 -2.455 10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.458 -2.468 8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.596 -0.545 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.911 0.537 9.500 1.00 0.00 H new ATOM 524 N ASP A 34 73.775 -7.238 9.653 1.00 0.00 N ATOM 525 CA ASP A 34 72.964 -8.449 9.505 1.00 0.00 C ATOM 526 C ASP A 34 71.878 -8.524 10.573 1.00 0.00 C ATOM 527 O ASP A 34 72.086 -9.097 11.642 1.00 0.00 O ATOM 528 CB ASP A 34 73.851 -9.690 9.608 1.00 0.00 C ATOM 529 CG ASP A 34 73.077 -10.920 9.151 1.00 0.00 C ATOM 530 OD1 ASP A 34 71.888 -10.790 8.910 1.00 0.00 O ATOM 531 OD2 ASP A 34 73.681 -11.976 9.061 1.00 0.00 O ATOM 0 H ASP A 34 74.516 -7.303 10.351 1.00 0.00 H new ATOM 0 HA ASP A 34 72.488 -8.410 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.743 -9.562 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.188 -9.823 10.636 1.00 0.00 H new ATOM 536 N LEU A 35 70.715 -7.952 10.274 1.00 0.00 N ATOM 537 CA LEU A 35 69.586 -7.967 11.212 1.00 0.00 C ATOM 538 C LEU A 35 68.281 -8.180 10.451 1.00 0.00 C ATOM 539 O LEU A 35 67.215 -7.758 10.894 1.00 0.00 O ATOM 540 CB LEU A 35 69.519 -6.654 12.003 1.00 0.00 C ATOM 541 CG LEU A 35 70.740 -6.525 12.927 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.771 -5.121 13.538 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.687 -7.586 14.049 1.00 0.00 C ATOM 0 H LEU A 35 70.525 -7.473 9.394 1.00 0.00 H new ATOM 0 HA LEU A 35 69.733 -8.787 11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.484 -5.809 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.603 -6.623 12.593 1.00 0.00 H new ATOM 0 HG LEU A 35 71.645 -6.688 12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.637 -5.029 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.838 -4.379 12.742 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.861 -4.955 14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.560 -7.479 14.693 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.781 -7.446 14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.682 -8.583 13.607 1.00 0.00 H new ATOM 555 N VAL A 36 68.381 -8.846 9.299 1.00 0.00 N ATOM 556 CA VAL A 36 67.212 -9.128 8.454 1.00 0.00 C ATOM 557 C VAL A 36 67.026 -10.643 8.380 1.00 0.00 C ATOM 558 O VAL A 36 67.994 -11.387 8.210 1.00 0.00 O ATOM 559 CB VAL A 36 67.401 -8.498 7.030 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.702 -7.686 7.000 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.481 -9.576 5.936 1.00 0.00 C ATOM 0 H VAL A 36 69.261 -9.202 8.926 1.00 0.00 H new ATOM 0 HA VAL A 36 66.316 -8.679 8.884 1.00 0.00 H new ATOM 0 HB VAL A 36 66.537 -7.863 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.835 -7.248 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.653 -6.892 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.545 -8.341 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.612 -9.099 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.327 -10.234 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.561 -10.160 5.933 1.00 0.00 H new ATOM 571 N GLU A 37 65.787 -11.099 8.516 1.00 0.00 N ATOM 572 CA GLU A 37 65.494 -12.533 8.467 1.00 0.00 C ATOM 573 C GLU A 37 64.482 -12.836 7.370 1.00 0.00 C ATOM 574 O GLU A 37 63.401 -12.245 7.333 1.00 0.00 O ATOM 575 CB GLU A 37 64.920 -12.986 9.809 1.00 0.00 C ATOM 576 CG GLU A 37 66.005 -12.926 10.884 1.00 0.00 C ATOM 577 CD GLU A 37 65.403 -13.249 12.248 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.221 -13.550 12.296 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.133 -13.194 13.223 1.00 0.00 O ATOM 0 H GLU A 37 64.971 -10.504 8.660 1.00 0.00 H new ATOM 0 HA GLU A 37 66.421 -13.067 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.082 -12.349 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.534 -14.002 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.800 -13.634 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.457 -11.934 10.902 1.00 0.00 H new ATOM 586 N VAL A 38 64.831 -13.766 6.478 1.00 0.00 N ATOM 587 CA VAL A 38 63.945 -14.154 5.385 1.00 0.00 C ATOM 588 C VAL A 38 63.714 -15.665 5.395 1.00 0.00 C ATOM 589 O VAL A 38 64.528 -16.427 5.927 1.00 0.00 O ATOM 590 CB VAL A 38 64.543 -13.716 4.042 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.072 -12.284 4.150 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.691 -14.645 3.636 1.00 0.00 C ATOM 0 H VAL A 38 65.722 -14.263 6.494 1.00 0.00 H new ATOM 0 HA VAL A 38 62.984 -13.657 5.521 1.00 0.00 H new ATOM 0 HB VAL A 38 63.760 -13.764 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.495 -11.979 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.255 -11.613 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.843 -12.238 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.103 -14.319 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.471 -14.614 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.318 -15.665 3.541 1.00 0.00 H new ATOM 602 N MET A 39 62.588 -16.084 4.816 1.00 0.00 N ATOM 603 CA MET A 39 62.227 -17.504 4.760 1.00 0.00 C ATOM 604 C MET A 39 62.407 -18.048 3.349 1.00 0.00 C ATOM 605 O MET A 39 61.846 -17.512 2.394 1.00 0.00 O ATOM 606 CB MET A 39 60.764 -17.684 5.180 1.00 0.00 C ATOM 607 CG MET A 39 60.495 -19.158 5.507 1.00 0.00 C ATOM 608 SD MET A 39 61.075 -19.498 7.188 1.00 0.00 S ATOM 609 CE MET A 39 59.556 -19.026 8.050 1.00 0.00 C ATOM 0 H MET A 39 61.909 -15.461 4.379 1.00 0.00 H new ATOM 0 HA MET A 39 62.880 -18.051 5.440 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.547 -17.064 6.049 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.103 -17.353 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.430 -19.375 5.424 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.008 -19.803 4.793 1.00 0.00 H new ATOM 0 HE1 MET A 39 59.690 -19.159 9.123 1.00 0.00 H new ATOM 0 HE2 MET A 39 59.328 -17.981 7.840 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.733 -19.653 7.707 1.00 0.00 H new ATOM 619 N THR A 40 63.182 -19.124 3.221 1.00 0.00 N ATOM 620 CA THR A 40 63.418 -19.745 1.916 1.00 0.00 C ATOM 621 C THR A 40 62.571 -21.011 1.776 1.00 0.00 C ATOM 622 O THR A 40 61.864 -21.193 0.787 1.00 0.00 O ATOM 623 CB THR A 40 64.907 -20.086 1.755 1.00 0.00 C ATOM 624 OG1 THR A 40 65.051 -21.185 0.866 1.00 0.00 O ATOM 625 CG2 THR A 40 65.509 -20.446 3.114 1.00 0.00 C ATOM 0 H THR A 40 63.655 -19.583 3.999 1.00 0.00 H new ATOM 0 HA THR A 40 63.132 -19.041 1.134 1.00 0.00 H new ATOM 0 HB THR A 40 65.430 -19.219 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 40 66.002 -21.400 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.565 -20.687 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.406 -19.600 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.986 -21.309 3.527 1.00 0.00 H new ATOM 633 N ASP A 41 62.638 -21.874 2.788 1.00 0.00 N ATOM 634 CA ASP A 41 61.863 -23.126 2.796 1.00 0.00 C ATOM 635 C ASP A 41 61.306 -23.369 4.197 1.00 0.00 C ATOM 636 O ASP A 41 61.479 -24.452 4.751 1.00 0.00 O ATOM 637 CB ASP A 41 62.769 -24.301 2.418 1.00 0.00 C ATOM 638 CG ASP A 41 63.938 -24.390 3.395 1.00 0.00 C ATOM 639 OD1 ASP A 41 64.067 -23.501 4.219 1.00 0.00 O ATOM 640 OD2 ASP A 41 64.683 -25.353 3.306 1.00 0.00 O ATOM 0 H ASP A 41 63.219 -21.735 3.615 1.00 0.00 H new ATOM 0 HA ASP A 41 61.048 -23.044 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.199 -25.230 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.142 -24.172 1.402 1.00 0.00 H new ATOM 645 N LYS A 42 60.667 -22.351 4.775 1.00 0.00 N ATOM 646 CA LYS A 42 60.125 -22.465 6.126 1.00 0.00 C ATOM 647 C LYS A 42 61.269 -22.452 7.142 1.00 0.00 C ATOM 648 O LYS A 42 61.130 -22.949 8.260 1.00 0.00 O ATOM 649 CB LYS A 42 59.299 -23.758 6.290 1.00 0.00 C ATOM 650 CG LYS A 42 58.305 -23.600 7.449 1.00 0.00 C ATOM 651 CD LYS A 42 57.380 -24.816 7.509 1.00 0.00 C ATOM 652 CE LYS A 42 56.368 -24.631 8.640 1.00 0.00 C ATOM 653 NZ LYS A 42 57.091 -24.540 9.940 1.00 0.00 N ATOM 0 H LYS A 42 60.514 -21.445 4.331 1.00 0.00 H new ATOM 0 HA LYS A 42 59.465 -21.615 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.763 -23.977 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.962 -24.602 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.844 -23.495 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.718 -22.691 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.861 -24.939 6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.963 -25.722 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.781 -23.728 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.669 -25.467 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.435 -24.753 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.874 -25.224 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.470 -23.579 10.060 1.00 0.00 H new ATOM 667 N VAL A 43 62.401 -21.871 6.742 1.00 0.00 N ATOM 668 CA VAL A 43 63.574 -21.780 7.615 1.00 0.00 C ATOM 669 C VAL A 43 63.994 -20.325 7.762 1.00 0.00 C ATOM 670 O VAL A 43 64.041 -19.579 6.784 1.00 0.00 O ATOM 671 CB VAL A 43 64.737 -22.589 7.039 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.914 -22.531 8.013 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.308 -24.045 6.829 1.00 0.00 C ATOM 0 H VAL A 43 62.531 -21.456 5.819 1.00 0.00 H new ATOM 0 HA VAL A 43 63.311 -22.187 8.591 1.00 0.00 H new ATOM 0 HB VAL A 43 65.034 -22.169 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.748 -23.105 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.221 -21.494 8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.613 -22.952 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.142 -24.614 6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.008 -24.477 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.468 -24.080 6.135 1.00 0.00 H new ATOM 683 N THR A 44 64.274 -19.924 8.994 1.00 0.00 N ATOM 684 CA THR A 44 64.669 -18.539 9.274 1.00 0.00 C ATOM 685 C THR A 44 66.189 -18.411 9.318 1.00 0.00 C ATOM 686 O THR A 44 66.854 -19.041 10.142 1.00 0.00 O ATOM 687 CB THR A 44 64.079 -18.093 10.621 1.00 0.00 C ATOM 688 OG1 THR A 44 62.730 -18.530 10.708 1.00 0.00 O ATOM 689 CG2 THR A 44 64.122 -16.568 10.732 1.00 0.00 C ATOM 0 H THR A 44 64.237 -20.529 9.815 1.00 0.00 H new ATOM 0 HA THR A 44 64.286 -17.903 8.476 1.00 0.00 H new ATOM 0 HB THR A 44 64.665 -18.528 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.350 -18.249 11.567 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.702 -16.261 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.155 -16.227 10.663 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.540 -16.128 9.923 1.00 0.00 H new ATOM 697 N VAL A 45 66.736 -17.595 8.417 1.00 0.00 N ATOM 698 CA VAL A 45 68.187 -17.386 8.347 1.00 0.00 C ATOM 699 C VAL A 45 68.528 -15.901 8.244 1.00 0.00 C ATOM 700 O VAL A 45 67.726 -15.097 7.765 1.00 0.00 O ATOM 701 CB VAL A 45 68.763 -18.108 7.125 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.538 -19.616 7.262 1.00 0.00 C ATOM 703 CG2 VAL A 45 68.066 -17.595 5.862 1.00 0.00 C ATOM 0 H VAL A 45 66.201 -17.068 7.727 1.00 0.00 H new ATOM 0 HA VAL A 45 68.623 -17.787 9.262 1.00 0.00 H new ATOM 0 HB VAL A 45 69.833 -17.913 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.949 -20.126 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.035 -19.978 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.469 -19.820 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.472 -18.106 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.996 -17.791 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.233 -16.522 5.765 1.00 0.00 H new ATOM 713 N LYS A 46 69.740 -15.555 8.683 1.00 0.00 N ATOM 714 CA LYS A 46 70.228 -14.174 8.636 1.00 0.00 C ATOM 715 C LYS A 46 71.328 -14.052 7.584 1.00 0.00 C ATOM 716 O LYS A 46 72.215 -14.903 7.511 1.00 0.00 O ATOM 717 CB LYS A 46 70.801 -13.792 10.002 1.00 0.00 C ATOM 718 CG LYS A 46 69.658 -13.655 11.014 1.00 0.00 C ATOM 719 CD LYS A 46 70.207 -13.208 12.377 1.00 0.00 C ATOM 720 CE LYS A 46 71.009 -14.340 13.029 1.00 0.00 C ATOM 721 NZ LYS A 46 71.201 -14.038 14.476 1.00 0.00 N ATOM 0 H LYS A 46 70.407 -16.218 9.078 1.00 0.00 H new ATOM 0 HA LYS A 46 69.402 -13.510 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.509 -14.551 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.351 -12.854 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.928 -12.931 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.138 -14.607 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.841 -12.331 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 46 69.384 -12.915 13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.484 -15.288 12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.976 -14.447 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.745 -14.804 14.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.718 -13.142 14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.274 -13.957 14.940 1.00 0.00 H new ATOM 735 N ILE A 47 71.266 -12.999 6.765 1.00 0.00 N ATOM 736 CA ILE A 47 72.268 -12.789 5.706 1.00 0.00 C ATOM 737 C ILE A 47 72.725 -11.313 5.676 1.00 0.00 C ATOM 738 O ILE A 47 72.010 -10.435 6.157 1.00 0.00 O ATOM 739 CB ILE A 47 71.687 -13.200 4.323 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.172 -13.398 4.434 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.325 -14.510 3.831 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.596 -13.744 3.058 1.00 0.00 C ATOM 0 H ILE A 47 70.542 -12.282 6.810 1.00 0.00 H new ATOM 0 HA ILE A 47 73.134 -13.415 5.923 1.00 0.00 H new ATOM 0 HB ILE A 47 71.909 -12.405 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 47 69.951 -14.196 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.704 -12.491 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.904 -14.778 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.402 -14.376 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.122 -15.305 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 47 68.518 -13.884 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.804 -12.932 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.055 -14.662 2.692 1.00 0.00 H new ATOM 754 N PRO A 48 73.895 -11.021 5.129 1.00 0.00 N ATOM 755 CA PRO A 48 74.409 -9.609 5.057 1.00 0.00 C ATOM 756 C PRO A 48 73.421 -8.660 4.364 1.00 0.00 C ATOM 757 O PRO A 48 72.703 -9.058 3.448 1.00 0.00 O ATOM 758 CB PRO A 48 75.706 -9.726 4.227 1.00 0.00 C ATOM 759 CG PRO A 48 76.133 -11.150 4.348 1.00 0.00 C ATOM 760 CD PRO A 48 74.853 -11.972 4.520 1.00 0.00 C ATOM 0 HA PRO A 48 74.563 -9.190 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.530 -9.457 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.475 -9.053 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.682 -11.467 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.799 -11.285 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.489 -12.348 3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 48 75.018 -12.838 5.161 1.00 0.00 H new ATOM 768 N SER A 49 73.403 -7.397 4.804 1.00 0.00 N ATOM 769 CA SER A 49 72.519 -6.394 4.213 1.00 0.00 C ATOM 770 C SER A 49 72.624 -6.426 2.677 1.00 0.00 C ATOM 771 O SER A 49 73.380 -7.225 2.124 1.00 0.00 O ATOM 772 CB SER A 49 72.912 -5.006 4.761 1.00 0.00 C ATOM 773 OG SER A 49 73.777 -5.178 5.876 1.00 0.00 O ATOM 0 H SER A 49 73.988 -7.049 5.563 1.00 0.00 H new ATOM 0 HA SER A 49 71.484 -6.609 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.408 -4.422 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.021 -4.452 5.057 1.00 0.00 H new ATOM 0 HG SER A 49 73.276 -5.569 6.622 1.00 0.00 H new ATOM 779 N PRO A 50 71.885 -5.580 1.989 1.00 0.00 N ATOM 780 CA PRO A 50 71.894 -5.516 0.501 1.00 0.00 C ATOM 781 C PRO A 50 72.957 -4.549 -0.055 1.00 0.00 C ATOM 782 O PRO A 50 72.677 -3.776 -0.969 1.00 0.00 O ATOM 783 CB PRO A 50 70.477 -5.023 0.183 1.00 0.00 C ATOM 784 CG PRO A 50 70.100 -4.139 1.340 1.00 0.00 C ATOM 785 CD PRO A 50 70.952 -4.582 2.548 1.00 0.00 C ATOM 0 HA PRO A 50 72.148 -6.473 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.453 -4.473 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.783 -5.857 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.286 -3.092 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 50 69.037 -4.231 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 50 71.487 -3.740 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 50 70.333 -5.013 3.335 1.00 0.00 H new ATOM 793 N VAL A 51 74.180 -4.605 0.485 1.00 0.00 N ATOM 794 CA VAL A 51 75.264 -3.731 0.002 1.00 0.00 C ATOM 795 C VAL A 51 74.941 -2.245 0.228 1.00 0.00 C ATOM 796 O VAL A 51 73.977 -1.720 -0.329 1.00 0.00 O ATOM 797 CB VAL A 51 75.497 -3.987 -1.497 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.844 -3.398 -1.929 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.509 -5.499 -1.752 1.00 0.00 C ATOM 0 H VAL A 51 74.445 -5.233 1.244 1.00 0.00 H new ATOM 0 HA VAL A 51 76.165 -3.966 0.569 1.00 0.00 H new ATOM 0 HB VAL A 51 74.698 -3.514 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.999 -3.585 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.847 -2.324 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.646 -3.866 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.674 -5.688 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.310 -5.959 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.552 -5.926 -1.452 1.00 0.00 H new ATOM 809 N ARG A 52 75.764 -1.574 1.044 1.00 0.00 N ATOM 810 CA ARG A 52 75.577 -0.153 1.338 1.00 0.00 C ATOM 811 C ARG A 52 75.139 0.630 0.095 1.00 0.00 C ATOM 812 O ARG A 52 75.544 0.309 -1.023 1.00 0.00 O ATOM 813 CB ARG A 52 76.902 0.439 1.852 1.00 0.00 C ATOM 814 CG ARG A 52 78.004 0.224 0.805 1.00 0.00 C ATOM 815 CD ARG A 52 79.291 0.912 1.262 1.00 0.00 C ATOM 816 NE ARG A 52 80.335 0.743 0.259 1.00 0.00 N ATOM 817 CZ ARG A 52 81.531 1.304 0.409 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.797 1.997 1.482 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.441 1.152 -0.513 1.00 0.00 N ATOM 0 H ARG A 52 76.566 -1.996 1.512 1.00 0.00 H new ATOM 0 HA ARG A 52 74.795 -0.068 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.782 1.503 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.183 -0.035 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.181 -0.842 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.688 0.626 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 79.105 1.973 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.619 0.492 2.213 1.00 0.00 H new ATOM 0 HE ARG A 52 80.145 0.184 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 52 81.087 2.108 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.715 2.427 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.235 0.603 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.359 1.582 -0.399 1.00 0.00 H new ATOM 833 N GLY A 53 74.326 1.664 0.298 1.00 0.00 N ATOM 834 CA GLY A 53 73.863 2.487 -0.817 1.00 0.00 C ATOM 835 C GLY A 53 72.640 3.312 -0.420 1.00 0.00 C ATOM 836 O GLY A 53 72.509 3.714 0.736 1.00 0.00 O ATOM 0 H GLY A 53 73.977 1.950 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.664 3.151 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.616 1.849 -1.666 1.00 0.00 H new ATOM 840 N LYS A 54 71.733 3.556 -1.379 1.00 0.00 N ATOM 841 CA LYS A 54 70.516 4.329 -1.101 1.00 0.00 C ATOM 842 C LYS A 54 69.279 3.473 -1.343 1.00 0.00 C ATOM 843 O LYS A 54 69.214 2.716 -2.311 1.00 0.00 O ATOM 844 CB LYS A 54 70.459 5.569 -2.003 1.00 0.00 C ATOM 845 CG LYS A 54 71.538 6.568 -1.582 1.00 0.00 C ATOM 846 CD LYS A 54 71.482 7.792 -2.496 1.00 0.00 C ATOM 847 CE LYS A 54 72.569 8.782 -2.075 1.00 0.00 C ATOM 848 NZ LYS A 54 72.526 9.993 -2.943 1.00 0.00 N ATOM 0 H LYS A 54 71.819 3.233 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 54 70.538 4.641 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.605 5.280 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.475 6.033 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.387 6.868 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.522 6.103 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.628 7.493 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.501 8.263 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.427 9.067 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.549 8.309 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.269 10.658 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.683 9.716 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 71.596 10.451 -2.855 1.00 0.00 H new ATOM 862 N ILE A 55 68.296 3.602 -0.454 1.00 0.00 N ATOM 863 CA ILE A 55 67.056 2.836 -0.567 1.00 0.00 C ATOM 864 C ILE A 55 65.956 3.751 -1.103 1.00 0.00 C ATOM 865 O ILE A 55 65.646 4.774 -0.493 1.00 0.00 O ATOM 866 CB ILE A 55 66.680 2.313 0.829 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.953 1.892 1.587 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.749 1.107 0.715 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.785 0.894 0.771 1.00 0.00 C ATOM 0 H ILE A 55 68.334 4.228 0.351 1.00 0.00 H new ATOM 0 HA ILE A 55 67.181 1.995 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 55 66.171 3.110 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.554 2.773 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.678 1.444 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.493 0.750 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.840 1.398 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.249 0.312 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.676 0.617 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.191 0.002 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.080 1.352 -0.173 1.00 0.00 H new ATOM 881 N VAL A 56 65.395 3.413 -2.267 1.00 0.00 N ATOM 882 CA VAL A 56 64.362 4.259 -2.878 1.00 0.00 C ATOM 883 C VAL A 56 62.934 3.835 -2.511 1.00 0.00 C ATOM 884 O VAL A 56 62.128 4.678 -2.119 1.00 0.00 O ATOM 885 CB VAL A 56 64.535 4.264 -4.414 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.267 4.797 -5.100 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.719 5.163 -4.788 1.00 0.00 C ATOM 0 H VAL A 56 65.632 2.575 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 56 64.498 5.264 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 56 64.716 3.242 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.409 4.793 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.420 4.162 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.072 5.815 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.844 5.169 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.529 6.178 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.627 4.782 -4.320 1.00 0.00 H new ATOM 897 N LYS A 57 62.592 2.554 -2.689 1.00 0.00 N ATOM 898 CA LYS A 57 61.213 2.116 -2.416 1.00 0.00 C ATOM 899 C LYS A 57 61.126 0.686 -1.891 1.00 0.00 C ATOM 900 O LYS A 57 62.015 -0.130 -2.115 1.00 0.00 O ATOM 901 CB LYS A 57 60.407 2.215 -3.712 1.00 0.00 C ATOM 902 CG LYS A 57 60.985 1.257 -4.759 1.00 0.00 C ATOM 903 CD LYS A 57 60.251 1.445 -6.087 1.00 0.00 C ATOM 904 CE LYS A 57 60.851 0.507 -7.137 1.00 0.00 C ATOM 905 NZ LYS A 57 60.126 0.675 -8.427 1.00 0.00 N ATOM 0 H LYS A 57 63.225 1.821 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 57 60.814 2.766 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 57 59.362 1.971 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.432 3.238 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 57 62.050 1.446 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 57 60.884 0.226 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 57 59.189 1.235 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 57 60.335 2.480 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 57 61.910 0.726 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 57 60.779 -0.527 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 60.534 0.037 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 59.121 0.446 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 60.216 1.659 -8.750 1.00 0.00 H new ATOM 919 N ILE A 58 60.018 0.397 -1.201 1.00 0.00 N ATOM 920 CA ILE A 58 59.764 -0.929 -0.645 1.00 0.00 C ATOM 921 C ILE A 58 58.514 -1.525 -1.302 1.00 0.00 C ATOM 922 O ILE A 58 57.447 -0.910 -1.288 1.00 0.00 O ATOM 923 CB ILE A 58 59.553 -0.788 0.872 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.703 -2.158 1.551 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.162 -0.193 1.156 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.046 -2.150 2.940 1.00 0.00 C ATOM 0 H ILE A 58 59.278 1.074 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 58 60.608 -1.591 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 58 60.308 -0.114 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.245 -2.929 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.759 -2.410 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.020 -0.096 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.084 0.789 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.395 -0.850 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.163 -3.129 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.523 -1.394 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.985 -1.921 2.839 1.00 0.00 H new ATOM 938 N LEU A 59 58.644 -2.714 -1.893 1.00 0.00 N ATOM 939 CA LEU A 59 57.507 -3.362 -2.561 1.00 0.00 C ATOM 940 C LEU A 59 56.934 -4.508 -1.720 1.00 0.00 C ATOM 941 O LEU A 59 55.826 -4.976 -1.977 1.00 0.00 O ATOM 942 CB LEU A 59 57.946 -3.908 -3.924 1.00 0.00 C ATOM 943 CG LEU A 59 58.408 -2.760 -4.834 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.983 -3.341 -6.131 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.223 -1.832 -5.171 1.00 0.00 C ATOM 0 H LEU A 59 59.514 -3.245 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 59 56.729 -2.610 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.756 -4.625 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.120 -4.443 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 59 59.172 -2.182 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.312 -2.529 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.831 -3.984 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.215 -3.924 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.566 -1.023 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.449 -2.402 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.815 -1.414 -4.251 1.00 0.00 H new ATOM 957 N TYR A 60 57.702 -4.972 -0.730 1.00 0.00 N ATOM 958 CA TYR A 60 57.269 -6.086 0.130 1.00 0.00 C ATOM 959 C TYR A 60 56.955 -5.616 1.551 1.00 0.00 C ATOM 960 O TYR A 60 57.594 -4.704 2.079 1.00 0.00 O ATOM 961 CB TYR A 60 58.374 -7.167 0.156 1.00 0.00 C ATOM 962 CG TYR A 60 58.200 -8.096 -1.039 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.258 -7.577 -2.350 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.956 -9.472 -0.849 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.083 -8.423 -3.450 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.780 -10.311 -1.958 1.00 0.00 C ATOM 967 CZ TYR A 60 57.845 -9.788 -3.253 1.00 0.00 C ATOM 968 OH TYR A 60 57.678 -10.619 -4.341 1.00 0.00 O ATOM 0 H TYR A 60 58.623 -4.598 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 60 56.351 -6.503 -0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.358 -6.698 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.320 -7.736 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.438 -6.523 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.905 -9.879 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.132 -8.023 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.594 -11.365 -1.812 1.00 0.00 H new ATOM 0 HH TYR A 60 57.993 -11.519 -4.116 1.00 0.00 H new ATOM 978 N ARG A 61 55.956 -6.258 2.159 1.00 0.00 N ATOM 979 CA ARG A 61 55.529 -5.933 3.523 1.00 0.00 C ATOM 980 C ARG A 61 55.564 -7.183 4.400 1.00 0.00 C ATOM 981 O ARG A 61 55.596 -8.306 3.898 1.00 0.00 O ATOM 982 CB ARG A 61 54.110 -5.359 3.508 1.00 0.00 C ATOM 983 CG ARG A 61 54.119 -3.987 2.834 1.00 0.00 C ATOM 984 CD ARG A 61 52.698 -3.425 2.798 1.00 0.00 C ATOM 985 NE ARG A 61 52.682 -2.125 2.138 1.00 0.00 N ATOM 986 CZ ARG A 61 51.635 -1.314 2.249 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.598 -1.684 2.947 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.651 -0.144 1.673 1.00 0.00 N ATOM 0 H ARG A 61 55.423 -7.012 1.725 1.00 0.00 H new ATOM 0 HA ARG A 61 56.214 -5.190 3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.440 -6.033 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.731 -5.273 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.776 -3.308 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.514 -4.070 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.040 -4.116 2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.312 -3.329 3.813 1.00 0.00 H new ATOM 0 HE ARG A 61 53.486 -1.834 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.591 -2.594 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.793 -1.063 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.468 0.149 1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.847 0.478 1.759 1.00 0.00 H new ATOM 1002 N GLU A 62 55.569 -6.979 5.711 1.00 0.00 N ATOM 1003 CA GLU A 62 55.619 -8.096 6.653 1.00 0.00 C ATOM 1004 C GLU A 62 54.482 -9.088 6.436 1.00 0.00 C ATOM 1005 O GLU A 62 53.329 -8.711 6.230 1.00 0.00 O ATOM 1006 CB GLU A 62 55.561 -7.584 8.095 1.00 0.00 C ATOM 1007 CG GLU A 62 56.870 -6.876 8.446 1.00 0.00 C ATOM 1008 CD GLU A 62 58.016 -7.881 8.517 1.00 0.00 C ATOM 1009 OE1 GLU A 62 57.738 -9.069 8.484 1.00 0.00 O ATOM 1010 OE2 GLU A 62 59.153 -7.448 8.612 1.00 0.00 O ATOM 0 H GLU A 62 55.539 -6.057 6.147 1.00 0.00 H new ATOM 0 HA GLU A 62 56.562 -8.612 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.723 -6.898 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.392 -8.415 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.091 -6.115 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.768 -6.363 9.402 1.00 0.00 H new ATOM 1017 N GLY A 63 54.830 -10.365 6.527 1.00 0.00 N ATOM 1018 CA GLY A 63 53.842 -11.440 6.380 1.00 0.00 C ATOM 1019 C GLY A 63 53.532 -11.742 4.917 1.00 0.00 C ATOM 1020 O GLY A 63 52.636 -12.533 4.619 1.00 0.00 O ATOM 0 H GLY A 63 55.782 -10.686 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.215 -12.342 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.923 -11.159 6.894 1.00 0.00 H new ATOM 1024 N GLN A 64 54.252 -11.106 4.000 1.00 0.00 N ATOM 1025 CA GLN A 64 54.004 -11.330 2.577 1.00 0.00 C ATOM 1026 C GLN A 64 54.689 -12.610 2.101 1.00 0.00 C ATOM 1027 O GLN A 64 55.862 -12.851 2.394 1.00 0.00 O ATOM 1028 CB GLN A 64 54.509 -10.137 1.760 1.00 0.00 C ATOM 1029 CG GLN A 64 53.907 -10.180 0.352 1.00 0.00 C ATOM 1030 CD GLN A 64 52.412 -9.882 0.410 1.00 0.00 C ATOM 1031 OE1 GLN A 64 51.991 -8.939 1.078 1.00 0.00 O ATOM 1032 NE2 GLN A 64 51.577 -10.644 -0.243 1.00 0.00 N ATOM 0 H GLN A 64 54.999 -10.443 4.208 1.00 0.00 H new ATOM 0 HA GLN A 64 52.929 -11.437 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.236 -9.205 2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.597 -10.159 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.406 -9.452 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.073 -11.161 -0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 64 51.926 -11.426 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 64 50.575 -10.457 -0.199 1.00 0.00 H new ATOM 1041 N VAL A 65 53.943 -13.418 1.349 1.00 0.00 N ATOM 1042 CA VAL A 65 54.458 -14.677 0.801 1.00 0.00 C ATOM 1043 C VAL A 65 54.423 -14.611 -0.727 1.00 0.00 C ATOM 1044 O VAL A 65 53.390 -14.279 -1.307 1.00 0.00 O ATOM 1045 CB VAL A 65 53.577 -15.842 1.258 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.107 -17.157 0.682 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.541 -15.927 2.788 1.00 0.00 C ATOM 0 H VAL A 65 52.973 -13.223 1.103 1.00 0.00 H new ATOM 0 HA VAL A 65 55.479 -14.828 1.152 1.00 0.00 H new ATOM 0 HB VAL A 65 52.564 -15.669 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.474 -17.980 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 65 54.098 -17.107 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.127 -17.322 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 52.909 -16.762 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.551 -16.080 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.137 -15.000 3.195 1.00 0.00 H new ATOM 1057 N VAL A 66 55.547 -14.916 -1.378 1.00 0.00 N ATOM 1058 CA VAL A 66 55.606 -14.862 -2.847 1.00 0.00 C ATOM 1059 C VAL A 66 56.608 -15.887 -3.410 1.00 0.00 C ATOM 1060 O VAL A 66 57.699 -16.025 -2.859 1.00 0.00 O ATOM 1061 CB VAL A 66 56.066 -13.467 -3.278 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.926 -13.321 -4.795 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.206 -12.400 -2.599 1.00 0.00 C ATOM 0 H VAL A 66 56.416 -15.199 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 66 54.612 -15.090 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 66 57.109 -13.338 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.255 -12.326 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.541 -14.072 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.883 -13.460 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.540 -11.411 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.163 -12.538 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.301 -12.490 -1.517 1.00 0.00 H new ATOM 1073 N PRO A 67 56.307 -16.577 -4.506 1.00 0.00 N ATOM 1074 CA PRO A 67 57.282 -17.538 -5.109 1.00 0.00 C ATOM 1075 C PRO A 67 58.617 -16.863 -5.433 1.00 0.00 C ATOM 1076 O PRO A 67 58.653 -15.707 -5.856 1.00 0.00 O ATOM 1077 CB PRO A 67 56.594 -18.027 -6.396 1.00 0.00 C ATOM 1078 CG PRO A 67 55.137 -17.770 -6.194 1.00 0.00 C ATOM 1079 CD PRO A 67 55.035 -16.557 -5.264 1.00 0.00 C ATOM 0 HA PRO A 67 57.523 -18.351 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.969 -17.492 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.786 -19.087 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.642 -17.573 -7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.647 -18.639 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.921 -15.631 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.174 -16.634 -4.600 1.00 0.00 H new ATOM 1087 N VAL A 68 59.707 -17.599 -5.240 1.00 0.00 N ATOM 1088 CA VAL A 68 61.043 -17.069 -5.521 1.00 0.00 C ATOM 1089 C VAL A 68 61.191 -16.722 -7.003 1.00 0.00 C ATOM 1090 O VAL A 68 60.880 -17.532 -7.876 1.00 0.00 O ATOM 1091 CB VAL A 68 62.109 -18.120 -5.143 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.491 -17.688 -5.658 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.176 -18.288 -3.617 1.00 0.00 C ATOM 0 H VAL A 68 59.696 -18.558 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 68 61.182 -16.164 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 68 61.828 -19.068 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.232 -18.439 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.460 -17.588 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 63.762 -16.731 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.932 -19.032 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.438 -17.335 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.206 -18.616 -3.244 1.00 0.00 H new ATOM 1103 N GLY A 69 61.689 -15.512 -7.273 1.00 0.00 N ATOM 1104 CA GLY A 69 61.904 -15.062 -8.652 1.00 0.00 C ATOM 1105 C GLY A 69 61.514 -13.593 -8.843 1.00 0.00 C ATOM 1106 O GLY A 69 60.777 -13.265 -9.772 1.00 0.00 O ATOM 0 H GLY A 69 61.949 -14.830 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.952 -15.196 -8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.321 -15.683 -9.331 1.00 0.00 H new ATOM 1110 N SER A 70 62.007 -12.708 -7.972 1.00 0.00 N ATOM 1111 CA SER A 70 61.684 -11.286 -8.098 1.00 0.00 C ATOM 1112 C SER A 70 62.594 -10.427 -7.223 1.00 0.00 C ATOM 1113 O SER A 70 63.256 -10.931 -6.318 1.00 0.00 O ATOM 1114 CB SER A 70 60.229 -11.039 -7.705 1.00 0.00 C ATOM 1115 OG SER A 70 59.960 -9.645 -7.774 1.00 0.00 O ATOM 0 H SER A 70 62.617 -12.944 -7.189 1.00 0.00 H new ATOM 0 HA SER A 70 61.839 -11.005 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.561 -11.584 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.044 -11.408 -6.696 1.00 0.00 H new ATOM 0 HG SER A 70 59.027 -9.479 -7.525 1.00 0.00 H new ATOM 1121 N THR A 71 62.619 -9.118 -7.497 1.00 0.00 N ATOM 1122 CA THR A 71 63.448 -8.193 -6.721 1.00 0.00 C ATOM 1123 C THR A 71 62.613 -7.568 -5.606 1.00 0.00 C ATOM 1124 O THR A 71 61.648 -6.846 -5.860 1.00 0.00 O ATOM 1125 CB THR A 71 64.017 -7.104 -7.642 1.00 0.00 C ATOM 1126 OG1 THR A 71 65.053 -6.406 -6.962 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.919 -6.115 -8.051 1.00 0.00 C ATOM 0 H THR A 71 62.080 -8.680 -8.243 1.00 0.00 H new ATOM 0 HA THR A 71 64.279 -8.738 -6.274 1.00 0.00 H new ATOM 0 HB THR A 71 64.414 -7.577 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.419 -5.711 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.342 -5.351 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.129 -6.647 -8.580 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.505 -5.643 -7.160 1.00 0.00 H new ATOM 1135 N LEU A 72 62.976 -7.887 -4.373 1.00 0.00 N ATOM 1136 CA LEU A 72 62.256 -7.398 -3.200 1.00 0.00 C ATOM 1137 C LEU A 72 62.350 -5.879 -3.052 1.00 0.00 C ATOM 1138 O LEU A 72 61.380 -5.228 -2.663 1.00 0.00 O ATOM 1139 CB LEU A 72 62.828 -8.076 -1.945 1.00 0.00 C ATOM 1140 CG LEU A 72 62.290 -9.515 -1.810 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.823 -9.509 -1.354 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.408 -10.249 -3.154 1.00 0.00 C ATOM 0 H LEU A 72 63.771 -8.487 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 72 61.202 -7.645 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.917 -8.093 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.562 -7.498 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 72 62.887 -10.033 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.465 -10.535 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.745 -9.013 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 72 60.217 -8.975 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 72 62.026 -11.264 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.828 -9.719 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.454 -10.285 -3.458 1.00 0.00 H new ATOM 1154 N LEU A 73 63.529 -5.328 -3.321 1.00 0.00 N ATOM 1155 CA LEU A 73 63.758 -3.889 -3.172 1.00 0.00 C ATOM 1156 C LEU A 73 64.675 -3.398 -4.296 1.00 0.00 C ATOM 1157 O LEU A 73 65.547 -4.138 -4.753 1.00 0.00 O ATOM 1158 CB LEU A 73 64.414 -3.665 -1.797 1.00 0.00 C ATOM 1159 CG LEU A 73 64.155 -2.254 -1.250 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.759 -2.179 0.157 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.803 -1.184 -2.154 1.00 0.00 C ATOM 0 H LEU A 73 64.342 -5.853 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 73 62.823 -3.333 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.032 -4.402 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.489 -3.829 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 73 63.083 -2.061 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.590 -1.186 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.286 -2.925 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.830 -2.373 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.605 -0.193 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.879 -1.349 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.383 -1.253 -3.157 1.00 0.00 H new ATOM 1173 N GLN A 74 64.492 -2.154 -4.741 1.00 0.00 N ATOM 1174 CA GLN A 74 65.340 -1.605 -5.809 1.00 0.00 C ATOM 1175 C GLN A 74 66.376 -0.664 -5.196 1.00 0.00 C ATOM 1176 O GLN A 74 66.038 0.192 -4.379 1.00 0.00 O ATOM 1177 CB GLN A 74 64.491 -0.832 -6.821 1.00 0.00 C ATOM 1178 CG GLN A 74 65.364 -0.412 -8.007 1.00 0.00 C ATOM 1179 CD GLN A 74 64.547 0.421 -8.989 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.803 1.314 -8.581 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.626 0.173 -10.266 1.00 0.00 N ATOM 0 H GLN A 74 63.779 -1.515 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 74 65.839 -2.427 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.664 -1.452 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.054 0.048 -6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.219 0.164 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.760 -1.295 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.242 -0.566 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.072 0.718 -10.927 1.00 0.00 H new ATOM 1190 N ILE A 75 67.647 -0.852 -5.569 1.00 0.00 N ATOM 1191 CA ILE A 75 68.739 -0.034 -5.025 1.00 0.00 C ATOM 1192 C ILE A 75 69.593 0.558 -6.137 1.00 0.00 C ATOM 1193 O ILE A 75 70.082 -0.158 -7.009 1.00 0.00 O ATOM 1194 CB ILE A 75 69.609 -0.910 -4.117 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.784 -1.384 -2.920 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.813 -0.123 -3.603 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.541 -2.474 -2.163 1.00 0.00 C ATOM 0 H ILE A 75 67.945 -1.559 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 75 68.309 0.791 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 75 69.960 -1.764 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.577 -0.545 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.822 -1.767 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.418 -0.762 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.414 0.216 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.468 0.740 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.946 -2.806 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.725 -3.318 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.492 -2.077 -1.808 1.00 0.00 H new ATOM 1209 N ASP A 76 69.779 1.874 -6.077 1.00 0.00 N ATOM 1210 CA ASP A 76 70.594 2.583 -7.070 1.00 0.00 C ATOM 1211 C ASP A 76 72.018 2.770 -6.556 1.00 0.00 C ATOM 1212 O ASP A 76 72.240 3.454 -5.556 1.00 0.00 O ATOM 1213 CB ASP A 76 69.990 3.955 -7.373 1.00 0.00 C ATOM 1214 CG ASP A 76 70.802 4.649 -8.462 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.828 4.110 -8.844 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.390 5.714 -8.893 1.00 0.00 O ATOM 0 H ASP A 76 69.379 2.473 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 76 70.613 1.984 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 76 68.954 3.843 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 76 69.980 4.565 -6.470 1.00 0.00 H new ATOM 1221 N THR A 77 72.978 2.159 -7.241 1.00 0.00 N ATOM 1222 CA THR A 77 74.376 2.263 -6.841 1.00 0.00 C ATOM 1223 C THR A 77 74.894 3.686 -7.020 1.00 0.00 C ATOM 1224 O THR A 77 75.417 4.231 -6.062 1.00 0.00 O ATOM 1225 CB THR A 77 75.222 1.303 -7.679 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.618 0.018 -7.681 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.629 1.203 -7.090 1.00 0.00 C ATOM 1228 OXT THR A 77 74.771 4.208 -8.117 1.00 0.00 O ATOM 0 H THR A 77 72.815 1.590 -8.071 1.00 0.00 H new ATOM 0 HA THR A 77 74.450 2.000 -5.786 1.00 0.00 H new ATOM 0 HB THR A 77 75.286 1.679 -8.700 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.159 -0.597 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.227 0.518 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.095 2.188 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.570 0.831 -6.067 1.00 0.00 H new TER 1236 THR A 77