USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 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 4 GLN : amide:sc= 0.716 K(o=-0.56,f=-3.2) USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= -1.28 F(o=-2.2,f=-0.56) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.0176 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -134:sc= -0.0125 (180deg=-1.24) USER MOD Single : A 10 LYS NZ :NH3+ -125:sc= -1.21 (180deg=-4.66!) USER MOD Single : A 13 TYR OH : rot 180:sc= -3.96! USER MOD Single : A 14 TYR OH : rot 111:sc= 0.77 USER MOD Single : A 15 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.23) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.93! C(o=-8.4!,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.107 USER MOD Single : A 24 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.9!) USER MOD Single : A 29 ASN : amide:sc= -1.42! C(o=-1.4!,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 34:sc= -5.64! USER MOD Single : A 39 SER OG : rot 160:sc= -0.447! USER MOD Single : A 46 ASN :FLIP amide:sc= -0.305 F(o=-2.8,f=-0.31) USER MOD Single : A 57 THR OG1 : rot -67:sc= -7.94! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -128:sc= -10.2! (180deg=-15.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.662 -8.888 4.501 1.00 0.00 N ATOM 2 CA SER A 1 15.743 -9.959 4.967 1.00 0.00 C ATOM 3 C SER A 1 14.541 -10.097 4.038 1.00 0.00 C ATOM 4 O SER A 1 14.065 -9.115 3.470 1.00 0.00 O ATOM 5 CB SER A 1 15.277 -9.617 6.384 1.00 0.00 C ATOM 6 OG SER A 1 16.311 -9.834 7.328 1.00 0.00 O ATOM 0 H1 SER A 1 17.541 -9.315 4.146 1.00 0.00 H new ATOM 0 H2 SER A 1 16.207 -8.348 3.738 1.00 0.00 H new ATOM 0 H3 SER A 1 16.882 -8.250 5.293 1.00 0.00 H new ATOM 0 HA SER A 1 16.272 -10.912 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.957 -8.576 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.411 -10.226 6.642 1.00 0.00 H new ATOM 0 HG SER A 1 15.988 -9.606 8.225 1.00 0.00 H new ATOM 14 N ALA A 2 14.055 -11.325 3.889 1.00 0.00 N ATOM 15 CA ALA A 2 12.909 -11.594 3.031 1.00 0.00 C ATOM 16 C ALA A 2 11.934 -12.553 3.704 1.00 0.00 C ATOM 17 O ALA A 2 11.998 -13.766 3.500 1.00 0.00 O ATOM 18 CB ALA A 2 13.371 -12.160 1.696 1.00 0.00 C ATOM 0 H ALA A 2 14.438 -12.149 4.352 1.00 0.00 H new ATOM 0 HA ALA A 2 12.389 -10.652 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.504 -12.356 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.024 -11.440 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.916 -13.089 1.864 1.00 0.00 H new ATOM 24 N ASP A 3 11.033 -12.003 4.512 1.00 0.00 N ATOM 25 CA ASP A 3 10.045 -12.811 5.217 1.00 0.00 C ATOM 26 C ASP A 3 8.629 -12.331 4.914 1.00 0.00 C ATOM 27 O ASP A 3 7.897 -12.968 4.155 1.00 0.00 O ATOM 28 CB ASP A 3 10.299 -12.764 6.725 1.00 0.00 C ATOM 29 CG ASP A 3 10.963 -11.473 7.159 1.00 0.00 C ATOM 30 OD1 ASP A 3 10.369 -10.397 6.938 1.00 0.00 O ATOM 31 OD2 ASP A 3 12.077 -11.538 7.719 1.00 0.00 O ATOM 0 H ASP A 3 10.967 -11.002 4.695 1.00 0.00 H new ATOM 0 HA ASP A 3 10.142 -13.840 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.353 -12.878 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.928 -13.607 7.011 1.00 0.00 H new ATOM 36 N GLN A 4 8.248 -11.208 5.512 1.00 0.00 N ATOM 37 CA GLN A 4 6.919 -10.646 5.307 1.00 0.00 C ATOM 38 C GLN A 4 6.860 -9.194 5.771 1.00 0.00 C ATOM 39 O GLN A 4 6.907 -8.912 6.968 1.00 0.00 O ATOM 40 CB GLN A 4 5.873 -11.474 6.055 1.00 0.00 C ATOM 41 CG GLN A 4 5.015 -12.340 5.148 1.00 0.00 C ATOM 42 CD GLN A 4 3.555 -12.338 5.552 1.00 0.00 C ATOM 43 OE1 GLN A 4 3.015 -11.313 5.970 1.00 0.00 O ATOM 44 NE2 GLN A 4 2.906 -13.490 5.432 1.00 0.00 N ATOM 0 H GLN A 4 8.841 -10.669 6.143 1.00 0.00 H new ATOM 0 HA GLN A 4 6.703 -10.674 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.378 -12.112 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.226 -10.802 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.105 -11.985 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.392 -13.363 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.392 -14.315 5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.921 -13.550 5.691 1.00 0.00 H new ATOM 53 N PRO A 5 6.755 -8.254 4.820 1.00 0.00 N ATOM 54 CA PRO A 5 6.686 -6.818 5.120 1.00 0.00 C ATOM 55 C PRO A 5 5.482 -6.467 5.990 1.00 0.00 C ATOM 56 O PRO A 5 4.579 -5.752 5.555 1.00 0.00 O ATOM 57 CB PRO A 5 6.549 -6.167 3.738 1.00 0.00 C ATOM 58 CG PRO A 5 7.066 -7.186 2.784 1.00 0.00 C ATOM 59 CD PRO A 5 6.695 -8.514 3.374 1.00 0.00 C ATOM 0 HA PRO A 5 7.557 -6.479 5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.511 -5.913 3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.123 -5.242 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.624 -7.058 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.146 -7.098 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.701 -8.833 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.390 -9.298 3.075 1.00 0.00 H new ATOM 67 N LYS A 6 5.475 -6.974 7.218 1.00 0.00 N ATOM 68 CA LYS A 6 4.380 -6.713 8.145 1.00 0.00 C ATOM 69 C LYS A 6 4.890 -6.065 9.426 1.00 0.00 C ATOM 70 O LYS A 6 4.393 -6.343 10.517 1.00 0.00 O ATOM 71 CB LYS A 6 3.643 -8.013 8.475 1.00 0.00 C ATOM 72 CG LYS A 6 2.172 -7.814 8.802 1.00 0.00 C ATOM 73 CD LYS A 6 1.596 -9.014 9.532 1.00 0.00 C ATOM 74 CE LYS A 6 0.075 -9.005 9.509 1.00 0.00 C ATOM 75 NZ LYS A 6 -0.495 -10.306 9.953 1.00 0.00 N ATOM 0 H LYS A 6 6.214 -7.567 7.594 1.00 0.00 H new ATOM 0 HA LYS A 6 3.688 -6.022 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.729 -8.694 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.133 -8.493 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.052 -6.922 9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.613 -7.644 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.962 -9.931 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.945 -9.015 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.293 -8.208 10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.271 -8.783 8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.533 -10.258 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.165 -11.063 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.186 -10.507 10.925 1.00 0.00 H new ATOM 89 N GLU A 7 5.886 -5.199 9.284 1.00 0.00 N ATOM 90 CA GLU A 7 6.467 -4.508 10.428 1.00 0.00 C ATOM 91 C GLU A 7 6.636 -3.019 10.137 1.00 0.00 C ATOM 92 O GLU A 7 7.471 -2.349 10.745 1.00 0.00 O ATOM 93 CB GLU A 7 7.815 -5.141 10.791 1.00 0.00 C ATOM 94 CG GLU A 7 9.019 -4.441 10.177 1.00 0.00 C ATOM 95 CD GLU A 7 10.143 -5.402 9.840 1.00 0.00 C ATOM 96 OE1 GLU A 7 10.790 -5.910 10.780 1.00 0.00 O ATOM 97 OE2 GLU A 7 10.377 -5.645 8.638 1.00 0.00 O ATOM 0 H GLU A 7 6.308 -4.959 8.387 1.00 0.00 H new ATOM 0 HA GLU A 7 5.789 -4.609 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.923 -5.141 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.812 -6.183 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.709 -3.919 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.388 -3.685 10.870 1.00 0.00 H new ATOM 104 N GLU A 8 5.841 -2.508 9.202 1.00 0.00 N ATOM 105 CA GLU A 8 5.907 -1.099 8.831 1.00 0.00 C ATOM 106 C GLU A 8 4.527 -0.559 8.471 1.00 0.00 C ATOM 107 O GLU A 8 3.980 -0.881 7.418 1.00 0.00 O ATOM 108 CB GLU A 8 6.864 -0.907 7.652 1.00 0.00 C ATOM 109 CG GLU A 8 8.094 -1.797 7.717 1.00 0.00 C ATOM 110 CD GLU A 8 9.162 -1.389 6.721 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.868 -1.379 5.507 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.291 -1.080 7.155 1.00 0.00 O ATOM 0 H GLU A 8 5.145 -3.048 8.688 1.00 0.00 H new ATOM 0 HA GLU A 8 6.279 -0.542 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.329 -1.108 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.181 0.135 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.510 -1.763 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.801 -2.830 7.528 1.00 0.00 H new ATOM 119 N LYS A 9 3.974 0.273 9.349 1.00 0.00 N ATOM 120 CA LYS A 9 2.664 0.867 9.117 1.00 0.00 C ATOM 121 C LYS A 9 2.792 2.366 8.872 1.00 0.00 C ATOM 122 O LYS A 9 3.324 3.102 9.703 1.00 0.00 O ATOM 123 CB LYS A 9 1.724 0.585 10.300 1.00 0.00 C ATOM 124 CG LYS A 9 1.577 1.744 11.276 1.00 0.00 C ATOM 125 CD LYS A 9 0.613 2.799 10.755 1.00 0.00 C ATOM 126 CE LYS A 9 1.240 4.184 10.774 1.00 0.00 C ATOM 127 NZ LYS A 9 0.279 5.222 11.240 1.00 0.00 N ATOM 0 H LYS A 9 4.414 0.550 10.227 1.00 0.00 H new ATOM 0 HA LYS A 9 2.233 0.412 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.739 0.325 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.093 -0.286 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.222 1.369 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.552 2.197 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.313 2.548 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.291 2.799 11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.113 4.178 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.591 4.437 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.324 6.046 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.685 4.831 11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.526 5.514 12.207 1.00 0.00 H new ATOM 141 N LYS A 10 2.301 2.807 7.724 1.00 0.00 N ATOM 142 CA LYS A 10 2.356 4.213 7.354 1.00 0.00 C ATOM 143 C LYS A 10 1.010 4.662 6.816 1.00 0.00 C ATOM 144 O LYS A 10 0.000 3.988 7.012 1.00 0.00 O ATOM 145 CB LYS A 10 3.438 4.441 6.296 1.00 0.00 C ATOM 146 CG LYS A 10 4.573 5.332 6.767 1.00 0.00 C ATOM 147 CD LYS A 10 4.909 5.076 8.226 1.00 0.00 C ATOM 148 CE LYS A 10 6.340 5.474 8.550 1.00 0.00 C ATOM 149 NZ LYS A 10 6.528 6.951 8.509 1.00 0.00 N ATOM 0 H LYS A 10 1.857 2.207 7.029 1.00 0.00 H new ATOM 0 HA LYS A 10 2.600 4.797 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.846 3.477 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.981 4.886 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.456 5.155 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.296 6.378 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.223 5.636 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.764 4.020 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.605 5.101 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.018 5.002 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.303 7.184 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.651 7.404 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.762 7.298 9.461 1.00 0.00 H new ATOM 163 N GLU A 11 0.998 5.790 6.121 1.00 0.00 N ATOM 164 CA GLU A 11 -0.233 6.297 5.544 1.00 0.00 C ATOM 165 C GLU A 11 -0.436 5.696 4.166 1.00 0.00 C ATOM 166 O GLU A 11 0.439 5.791 3.304 1.00 0.00 O ATOM 167 CB GLU A 11 -0.209 7.820 5.447 1.00 0.00 C ATOM 168 CG GLU A 11 -0.241 8.518 6.795 1.00 0.00 C ATOM 169 CD GLU A 11 0.455 9.865 6.771 1.00 0.00 C ATOM 170 OE1 GLU A 11 0.259 10.616 5.792 1.00 0.00 O ATOM 171 OE2 GLU A 11 1.197 10.168 7.728 1.00 0.00 O ATOM 0 H GLU A 11 1.821 6.366 5.945 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.060 6.011 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.689 8.127 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.063 8.151 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.277 8.654 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.234 7.881 7.541 1.00 0.00 H new ATOM 178 N CYS A 12 -1.588 5.080 3.953 1.00 0.00 N ATOM 179 CA CYS A 12 -1.880 4.476 2.669 1.00 0.00 C ATOM 180 C CYS A 12 -2.314 5.550 1.690 1.00 0.00 C ATOM 181 O CYS A 12 -2.989 6.508 2.065 1.00 0.00 O ATOM 182 CB CYS A 12 -2.965 3.402 2.797 1.00 0.00 C ATOM 183 SG CYS A 12 -3.332 2.552 1.233 1.00 0.00 S ATOM 0 H CYS A 12 -2.329 4.987 4.648 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.976 3.992 2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.651 2.666 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.878 3.862 3.174 1.00 0.00 H new ATOM 188 N TYR A 13 -1.920 5.394 0.437 1.00 0.00 N ATOM 189 CA TYR A 13 -2.273 6.365 -0.580 1.00 0.00 C ATOM 190 C TYR A 13 -3.284 5.792 -1.558 1.00 0.00 C ATOM 191 O TYR A 13 -3.207 4.626 -1.944 1.00 0.00 O ATOM 192 CB TYR A 13 -1.029 6.845 -1.326 1.00 0.00 C ATOM 193 CG TYR A 13 -0.416 8.074 -0.699 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.039 8.060 0.635 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.243 9.254 -1.419 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.497 9.178 1.240 1.00 0.00 C ATOM 197 CE2 TYR A 13 0.284 10.381 -0.819 1.00 0.00 C ATOM 198 CZ TYR A 13 0.654 10.338 0.508 1.00 0.00 C ATOM 199 OH TYR A 13 1.164 11.465 1.108 1.00 0.00 O ATOM 0 H TYR A 13 -1.360 4.610 0.103 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.730 7.218 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.290 6.044 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.292 7.062 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.167 7.156 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.525 9.288 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.792 9.146 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.406 11.292 -1.387 1.00 0.00 H new ATOM 0 HH TYR A 13 1.210 12.192 0.453 1.00 0.00 H new ATOM 209 N TYR A 14 -4.234 6.629 -1.943 1.00 0.00 N ATOM 210 CA TYR A 14 -5.278 6.240 -2.873 1.00 0.00 C ATOM 211 C TYR A 14 -5.444 7.318 -3.948 1.00 0.00 C ATOM 212 O TYR A 14 -6.347 7.249 -4.783 1.00 0.00 O ATOM 213 CB TYR A 14 -6.581 6.041 -2.105 1.00 0.00 C ATOM 214 CG TYR A 14 -7.302 4.742 -2.390 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.794 4.457 -3.653 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.517 3.815 -1.379 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.476 3.283 -3.906 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.200 2.641 -1.620 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.678 2.379 -2.886 1.00 0.00 C ATOM 220 OH TYR A 14 -9.362 1.210 -3.131 1.00 0.00 O ATOM 0 H TYR A 14 -4.302 7.594 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.008 5.305 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.367 6.093 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.251 6.869 -2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.642 5.165 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.143 4.017 -0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.849 3.075 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.359 1.931 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.744 0.451 -3.073 1.00 0.00 H new ATOM 230 N ASN A 15 -4.553 8.312 -3.912 1.00 0.00 N ATOM 231 CA ASN A 15 -4.568 9.416 -4.865 1.00 0.00 C ATOM 232 C ASN A 15 -3.163 9.994 -5.011 1.00 0.00 C ATOM 233 O ASN A 15 -2.981 11.202 -5.132 1.00 0.00 O ATOM 234 CB ASN A 15 -5.540 10.505 -4.406 1.00 0.00 C ATOM 235 CG ASN A 15 -6.164 11.252 -5.570 1.00 0.00 C ATOM 236 OD1 ASN A 15 -5.887 12.431 -5.786 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.013 10.565 -6.327 1.00 0.00 N ATOM 0 H ASN A 15 -3.804 8.371 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.901 9.040 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.328 10.054 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.013 11.212 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.464 11.014 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.214 9.588 -6.111 1.00 0.00 H new ATOM 244 N LEU A 16 -2.172 9.102 -4.955 1.00 0.00 N ATOM 245 CA LEU A 16 -0.751 9.454 -5.021 1.00 0.00 C ATOM 246 C LEU A 16 -0.322 9.665 -6.455 1.00 0.00 C ATOM 247 O LEU A 16 -1.071 10.266 -7.212 1.00 0.00 O ATOM 248 CB LEU A 16 0.071 8.315 -4.429 1.00 0.00 C ATOM 249 CG LEU A 16 0.203 7.033 -5.249 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.072 5.891 -4.335 1.00 0.00 C ATOM 251 CD2 LEU A 16 -0.725 6.972 -6.459 1.00 0.00 C ATOM 0 H LEU A 16 -2.336 8.100 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.592 10.375 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.075 8.692 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.365 8.053 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 16 1.212 6.996 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.013 4.955 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.649 5.897 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.080 5.983 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.571 6.032 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.761 7.036 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.507 7.805 -7.127 1.00 0.00 H new ATOM 263 N ASN A 17 0.860 9.157 -6.822 1.00 0.00 N ATOM 264 CA ASN A 17 1.346 9.246 -8.193 1.00 0.00 C ATOM 265 C ASN A 17 2.872 9.215 -8.320 1.00 0.00 C ATOM 266 O ASN A 17 3.398 9.223 -9.432 1.00 0.00 O ATOM 267 CB ASN A 17 0.762 10.452 -8.918 1.00 0.00 C ATOM 268 CG ASN A 17 -0.485 10.071 -9.703 1.00 0.00 C ATOM 269 OD1 ASN A 17 -1.169 9.015 -9.252 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -0.829 10.711 -10.697 1.00 0.00 N flip ATOM 0 H ASN A 17 1.495 8.680 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 17 0.989 8.339 -8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.516 11.230 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.508 10.869 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.276 11.511 -11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.667 10.441 -11.212 1.00 0.00 H new ATOM 277 N ASP A 18 3.571 9.157 -7.192 1.00 0.00 N ATOM 278 CA ASP A 18 5.031 9.103 -7.182 1.00 0.00 C ATOM 279 C ASP A 18 5.573 9.693 -5.889 1.00 0.00 C ATOM 280 O ASP A 18 5.199 10.800 -5.517 1.00 0.00 O ATOM 281 CB ASP A 18 5.609 9.863 -8.375 1.00 0.00 C ATOM 282 CG ASP A 18 6.026 8.939 -9.502 1.00 0.00 C ATOM 283 OD1 ASP A 18 6.463 7.806 -9.211 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.912 9.347 -10.678 1.00 0.00 O ATOM 0 H ASP A 18 3.147 9.146 -6.264 1.00 0.00 H new ATOM 0 HA ASP A 18 5.331 8.058 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.868 10.571 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.471 10.445 -8.048 1.00 0.00 H new ATOM 289 N ALA A 19 6.444 8.941 -5.210 1.00 0.00 N ATOM 290 CA ALA A 19 7.038 9.385 -3.948 1.00 0.00 C ATOM 291 C ALA A 19 7.729 10.743 -4.086 1.00 0.00 C ATOM 292 O ALA A 19 8.950 10.848 -3.977 1.00 0.00 O ATOM 293 CB ALA A 19 8.022 8.343 -3.439 1.00 0.00 C ATOM 0 H ALA A 19 6.754 8.018 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 19 6.229 9.503 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.458 8.683 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.501 7.399 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.813 8.199 -4.175 1.00 0.00 H new ATOM 299 N SER A 20 6.928 11.775 -4.319 1.00 0.00 N ATOM 300 CA SER A 20 7.419 13.136 -4.470 1.00 0.00 C ATOM 301 C SER A 20 6.246 14.071 -4.745 1.00 0.00 C ATOM 302 O SER A 20 6.139 15.152 -4.166 1.00 0.00 O ATOM 303 CB SER A 20 8.444 13.213 -5.600 1.00 0.00 C ATOM 304 OG SER A 20 7.820 13.083 -6.866 1.00 0.00 O ATOM 0 H SER A 20 5.916 11.690 -4.409 1.00 0.00 H new ATOM 0 HA SER A 20 7.911 13.444 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.975 14.164 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.187 12.426 -5.475 1.00 0.00 H new ATOM 0 HG SER A 20 8.498 13.137 -7.572 1.00 0.00 H new ATOM 310 N LEU A 21 5.358 13.620 -5.624 1.00 0.00 N ATOM 311 CA LEU A 21 4.160 14.369 -5.989 1.00 0.00 C ATOM 312 C LEU A 21 2.930 13.653 -5.443 1.00 0.00 C ATOM 313 O LEU A 21 1.897 14.263 -5.166 1.00 0.00 O ATOM 314 CB LEU A 21 4.058 14.471 -7.509 1.00 0.00 C ATOM 315 CG LEU A 21 4.382 13.171 -8.247 1.00 0.00 C ATOM 316 CD1 LEU A 21 3.342 12.103 -7.935 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.459 13.410 -9.746 1.00 0.00 C ATOM 0 H LEU A 21 5.448 12.725 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 21 4.218 15.372 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.048 14.784 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.735 15.251 -7.856 1.00 0.00 H new ATOM 0 HG LEU A 21 5.354 12.819 -7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.590 11.186 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.332 11.907 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.358 12.451 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.690 12.473 -10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.502 13.789 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.240 14.140 -9.958 1.00 0.00 H new ATOM 329 N CYS A 22 3.077 12.342 -5.296 1.00 0.00 N ATOM 330 CA CYS A 22 2.030 11.470 -4.788 1.00 0.00 C ATOM 331 C CYS A 22 0.983 12.177 -3.944 1.00 0.00 C ATOM 332 O CYS A 22 1.271 12.640 -2.841 1.00 0.00 O ATOM 333 CB CYS A 22 2.626 10.333 -3.963 1.00 0.00 C ATOM 334 SG CYS A 22 4.113 10.780 -3.024 1.00 0.00 S ATOM 0 H CYS A 22 3.939 11.850 -5.530 1.00 0.00 H new ATOM 0 HA CYS A 22 1.528 11.089 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.869 9.970 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.869 9.506 -4.630 1.00 0.00 H new ATOM 339 N ASP A 23 -0.255 12.210 -4.428 1.00 0.00 N ATOM 340 CA ASP A 23 -1.322 12.812 -3.642 1.00 0.00 C ATOM 341 C ASP A 23 -2.084 11.747 -2.826 1.00 0.00 C ATOM 342 O ASP A 23 -1.968 10.536 -3.063 1.00 0.00 O ATOM 343 CB ASP A 23 -2.287 13.605 -4.532 1.00 0.00 C ATOM 344 CG ASP A 23 -1.848 13.643 -5.985 1.00 0.00 C ATOM 345 OD1 ASP A 23 -2.183 12.700 -6.732 1.00 0.00 O ATOM 346 OD2 ASP A 23 -1.171 14.617 -6.374 1.00 0.00 O ATOM 0 H ASP A 23 -0.538 11.838 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.860 13.507 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.281 13.162 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.368 14.624 -4.155 1.00 0.00 H new ATOM 351 N ASN A 24 -2.865 12.204 -1.853 1.00 0.00 N ATOM 352 CA ASN A 24 -3.637 11.298 -1.007 1.00 0.00 C ATOM 353 C ASN A 24 -5.047 11.833 -0.791 1.00 0.00 C ATOM 354 O ASN A 24 -5.246 13.043 -0.683 1.00 0.00 O ATOM 355 CB ASN A 24 -2.938 11.107 0.341 1.00 0.00 C ATOM 356 CG ASN A 24 -3.758 10.271 1.304 1.00 0.00 C ATOM 357 OD1 ASN A 24 -3.624 9.049 1.354 1.00 0.00 O ATOM 358 ND2 ASN A 24 -4.614 10.930 2.078 1.00 0.00 N ATOM 0 H ASN A 24 -2.981 13.193 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.705 10.334 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.971 10.629 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.742 12.082 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.192 10.422 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.693 11.944 2.003 1.00 0.00 H new ATOM 365 N VAL A 25 -6.028 10.934 -0.737 1.00 0.00 N ATOM 366 CA VAL A 25 -7.410 11.353 -0.541 1.00 0.00 C ATOM 367 C VAL A 25 -8.383 10.174 -0.539 1.00 0.00 C ATOM 368 O VAL A 25 -9.538 10.319 -0.940 1.00 0.00 O ATOM 369 CB VAL A 25 -7.832 12.351 -1.635 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.248 11.623 -2.907 1.00 0.00 C ATOM 371 CG2 VAL A 25 -8.950 13.255 -1.136 1.00 0.00 C ATOM 0 H VAL A 25 -5.893 9.927 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.454 11.830 0.438 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.971 12.975 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.541 12.351 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.411 11.031 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.090 10.965 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.233 13.952 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.813 12.649 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.606 13.812 -0.265 1.00 0.00 H new ATOM 381 N LEU A 26 -7.925 9.009 -0.091 1.00 0.00 N ATOM 382 CA LEU A 26 -8.790 7.832 -0.054 1.00 0.00 C ATOM 383 C LEU A 26 -8.089 6.614 0.542 1.00 0.00 C ATOM 384 O LEU A 26 -8.481 5.484 0.263 1.00 0.00 O ATOM 385 CB LEU A 26 -9.288 7.502 -1.462 1.00 0.00 C ATOM 386 CG LEU A 26 -10.780 7.747 -1.696 1.00 0.00 C ATOM 387 CD1 LEU A 26 -10.987 8.716 -2.850 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.499 6.434 -1.965 1.00 0.00 C ATOM 0 H LEU A 26 -6.975 8.854 0.247 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.634 8.074 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.721 8.095 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.070 6.455 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.202 8.192 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.054 8.878 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.505 9.666 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.551 8.299 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.559 6.627 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.075 5.962 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.379 5.771 -1.108 1.00 0.00 H new ATOM 400 N ALA A 27 -7.062 6.828 1.361 1.00 0.00 N ATOM 401 CA ALA A 27 -6.345 5.715 1.961 1.00 0.00 C ATOM 402 C ALA A 27 -5.920 6.019 3.397 1.00 0.00 C ATOM 403 O ALA A 27 -5.379 7.086 3.688 1.00 0.00 O ATOM 404 CB ALA A 27 -5.143 5.363 1.103 1.00 0.00 C ATOM 0 H ALA A 27 -6.714 7.751 1.620 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.018 4.859 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.606 4.528 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.478 5.082 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.480 6.226 1.034 1.00 0.00 H new ATOM 410 N PRO A 28 -6.170 5.070 4.316 1.00 0.00 N ATOM 411 CA PRO A 28 -5.830 5.205 5.737 1.00 0.00 C ATOM 412 C PRO A 28 -4.407 4.749 6.043 1.00 0.00 C ATOM 413 O PRO A 28 -3.709 4.249 5.165 1.00 0.00 O ATOM 414 CB PRO A 28 -6.829 4.255 6.384 1.00 0.00 C ATOM 415 CG PRO A 28 -6.935 3.138 5.402 1.00 0.00 C ATOM 416 CD PRO A 28 -6.820 3.774 4.037 1.00 0.00 C ATOM 0 HA PRO A 28 -5.876 6.237 6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.478 3.904 7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.793 4.737 6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.145 2.404 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.884 2.612 5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.224 3.164 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.797 3.906 3.572 1.00 0.00 H new ATOM 424 N ASN A 29 -3.985 4.900 7.297 1.00 0.00 N ATOM 425 CA ASN A 29 -2.646 4.478 7.696 1.00 0.00 C ATOM 426 C ASN A 29 -2.665 3.028 8.152 1.00 0.00 C ATOM 427 O ASN A 29 -3.314 2.682 9.138 1.00 0.00 O ATOM 428 CB ASN A 29 -2.098 5.365 8.816 1.00 0.00 C ATOM 429 CG ASN A 29 -2.730 6.742 8.829 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.256 7.206 7.817 1.00 0.00 O ATOM 431 ND2 ASN A 29 -2.682 7.405 9.978 1.00 0.00 N ATOM 0 H ASN A 29 -4.545 5.307 8.046 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.992 4.575 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.272 4.880 9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.019 5.465 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.091 8.337 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.236 6.983 10.792 1.00 0.00 H new ATOM 438 N VAL A 30 -1.961 2.181 7.414 1.00 0.00 N ATOM 439 CA VAL A 30 -1.908 0.763 7.727 1.00 0.00 C ATOM 440 C VAL A 30 -0.587 0.148 7.285 1.00 0.00 C ATOM 441 O VAL A 30 0.393 0.855 7.053 1.00 0.00 O ATOM 442 CB VAL A 30 -3.063 0.014 7.042 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.374 0.753 7.259 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.778 -0.150 5.556 1.00 0.00 C ATOM 0 H VAL A 30 -1.419 2.453 6.594 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.999 0.667 8.809 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.150 -0.977 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.183 0.211 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.580 0.823 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.301 1.755 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.604 -0.682 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.668 0.832 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.857 -0.718 5.423 1.00 0.00 H new ATOM 454 N THR A 31 -0.574 -1.173 7.161 1.00 0.00 N ATOM 455 CA THR A 31 0.620 -1.887 6.734 1.00 0.00 C ATOM 456 C THR A 31 0.570 -2.151 5.233 1.00 0.00 C ATOM 457 O THR A 31 -0.408 -2.697 4.723 1.00 0.00 O ATOM 458 CB THR A 31 0.756 -3.204 7.497 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.513 -3.679 7.911 1.00 0.00 O ATOM 460 CG2 THR A 31 1.630 -3.094 8.728 1.00 0.00 C ATOM 0 H THR A 31 -1.378 -1.771 7.351 1.00 0.00 H new ATOM 0 HA THR A 31 1.490 -1.267 6.952 1.00 0.00 H new ATOM 0 HB THR A 31 1.226 -3.895 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.404 -4.524 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.685 -4.063 9.223 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.632 -2.779 8.436 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.204 -2.360 9.412 1.00 0.00 H new ATOM 468 N LYS A 32 1.628 -1.750 4.534 1.00 0.00 N ATOM 469 CA LYS A 32 1.718 -1.927 3.087 1.00 0.00 C ATOM 470 C LYS A 32 0.948 -3.159 2.622 1.00 0.00 C ATOM 471 O LYS A 32 0.337 -3.155 1.553 1.00 0.00 O ATOM 472 CB LYS A 32 3.182 -2.044 2.670 1.00 0.00 C ATOM 473 CG LYS A 32 3.389 -2.072 1.166 1.00 0.00 C ATOM 474 CD LYS A 32 4.737 -2.671 0.801 1.00 0.00 C ATOM 475 CE LYS A 32 5.832 -2.188 1.739 1.00 0.00 C ATOM 476 NZ LYS A 32 7.152 -2.105 1.055 1.00 0.00 N ATOM 0 H LYS A 32 2.441 -1.297 4.950 1.00 0.00 H new ATOM 0 HA LYS A 32 1.269 -1.054 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.738 -1.205 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.602 -2.952 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.593 -2.652 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.320 -1.059 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.676 -3.759 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.990 -2.403 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.565 -1.208 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.906 -2.865 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.871 -1.772 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.419 -3.045 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.089 -1.439 0.258 1.00 0.00 H new ATOM 490 N GLN A 33 0.983 -4.213 3.429 1.00 0.00 N ATOM 491 CA GLN A 33 0.290 -5.451 3.099 1.00 0.00 C ATOM 492 C GLN A 33 -1.210 -5.221 2.966 1.00 0.00 C ATOM 493 O GLN A 33 -1.803 -5.514 1.927 1.00 0.00 O ATOM 494 CB GLN A 33 0.566 -6.505 4.170 1.00 0.00 C ATOM 495 CG GLN A 33 1.975 -6.436 4.728 1.00 0.00 C ATOM 496 CD GLN A 33 2.599 -7.806 4.914 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.671 -8.074 4.179 1.00 0.00 O flip ATOM 498 NE2 GLN A 33 2.121 -8.615 5.710 1.00 0.00 N flip ATOM 0 H GLN A 33 1.484 -4.234 4.317 1.00 0.00 H new ATOM 0 HA GLN A 33 0.665 -5.806 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.147 -6.381 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.398 -7.496 3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.599 -5.845 4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.957 -5.916 5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.295 -8.367 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.551 -9.533 5.824 1.00 0.00 H new ATOM 507 N GLU A 34 -1.819 -4.696 4.023 1.00 0.00 N ATOM 508 CA GLU A 34 -3.252 -4.429 4.021 1.00 0.00 C ATOM 509 C GLU A 34 -3.602 -3.339 3.014 1.00 0.00 C ATOM 510 O GLU A 34 -4.498 -3.509 2.188 1.00 0.00 O ATOM 511 CB GLU A 34 -3.717 -4.011 5.417 1.00 0.00 C ATOM 512 CG GLU A 34 -2.993 -4.732 6.543 1.00 0.00 C ATOM 513 CD GLU A 34 -3.003 -6.238 6.372 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.997 -6.875 6.780 1.00 0.00 O ATOM 515 OE2 GLU A 34 -2.018 -6.780 5.830 1.00 0.00 O ATOM 0 H GLU A 34 -1.344 -4.447 4.891 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.764 -5.347 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.572 -2.937 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.787 -4.199 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.962 -4.382 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.460 -4.475 7.494 1.00 0.00 H new ATOM 522 N CYS A 35 -2.893 -2.220 3.088 1.00 0.00 N ATOM 523 CA CYS A 35 -3.137 -1.102 2.185 1.00 0.00 C ATOM 524 C CYS A 35 -2.990 -1.530 0.727 1.00 0.00 C ATOM 525 O CYS A 35 -3.982 -1.736 0.027 1.00 0.00 O ATOM 526 CB CYS A 35 -2.181 0.053 2.501 1.00 0.00 C ATOM 527 SG CYS A 35 -1.856 1.168 1.094 1.00 0.00 S ATOM 0 H CYS A 35 -2.145 -2.062 3.763 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.162 -0.763 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.595 0.637 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.234 -0.360 2.848 1.00 0.00 H new ATOM 532 N CYS A 36 -1.747 -1.655 0.271 1.00 0.00 N ATOM 533 CA CYS A 36 -1.477 -2.049 -1.108 1.00 0.00 C ATOM 534 C CYS A 36 -2.408 -3.170 -1.549 1.00 0.00 C ATOM 535 O CYS A 36 -2.850 -3.202 -2.699 1.00 0.00 O ATOM 536 CB CYS A 36 -0.020 -2.490 -1.258 1.00 0.00 C ATOM 537 SG CYS A 36 1.202 -1.208 -0.822 1.00 0.00 S ATOM 0 H CYS A 36 -0.913 -1.490 0.834 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.656 -1.184 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.149 -3.365 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.149 -2.800 -2.289 1.00 0.00 H new ATOM 542 N CYS A 37 -2.712 -4.087 -0.637 1.00 0.00 N ATOM 543 CA CYS A 37 -3.599 -5.196 -0.957 1.00 0.00 C ATOM 544 C CYS A 37 -4.968 -4.669 -1.365 1.00 0.00 C ATOM 545 O CYS A 37 -5.484 -5.004 -2.429 1.00 0.00 O ATOM 546 CB CYS A 37 -3.733 -6.147 0.234 1.00 0.00 C ATOM 547 SG CYS A 37 -4.955 -7.477 -0.013 1.00 0.00 S ATOM 0 H CYS A 37 -2.361 -4.084 0.321 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.168 -5.751 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.761 -6.595 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.012 -5.571 1.116 1.00 0.00 H new ATOM 552 N THR A 38 -5.541 -3.828 -0.512 1.00 0.00 N ATOM 553 CA THR A 38 -6.844 -3.235 -0.780 1.00 0.00 C ATOM 554 C THR A 38 -6.689 -1.919 -1.529 1.00 0.00 C ATOM 555 O THR A 38 -7.083 -1.805 -2.687 1.00 0.00 O ATOM 556 CB THR A 38 -7.594 -2.987 0.527 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.711 -3.047 1.635 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.713 -3.975 0.769 1.00 0.00 C ATOM 0 H THR A 38 -5.122 -3.541 0.373 1.00 0.00 H new ATOM 0 HA THR A 38 -7.412 -3.932 -1.396 1.00 0.00 H new ATOM 0 HB THR A 38 -8.028 -1.992 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.835 -2.694 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.205 -3.743 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.437 -3.910 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.304 -4.985 0.811 1.00 0.00 H new ATOM 566 N SER A 39 -6.112 -0.939 -0.832 1.00 0.00 N ATOM 567 CA SER A 39 -5.875 0.405 -1.364 1.00 0.00 C ATOM 568 C SER A 39 -6.069 0.484 -2.882 1.00 0.00 C ATOM 569 O SER A 39 -7.192 0.381 -3.372 1.00 0.00 O ATOM 570 CB SER A 39 -4.469 0.865 -0.970 1.00 0.00 C ATOM 571 OG SER A 39 -3.482 0.267 -1.792 1.00 0.00 O ATOM 0 H SER A 39 -5.792 -1.057 0.129 1.00 0.00 H new ATOM 0 HA SER A 39 -6.618 1.072 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.403 1.950 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.280 0.610 0.073 1.00 0.00 H new ATOM 0 HG SER A 39 -2.657 0.794 -1.749 1.00 0.00 H new ATOM 577 N GLY A 40 -4.984 0.676 -3.627 1.00 0.00 N ATOM 578 CA GLY A 40 -5.098 0.770 -5.069 1.00 0.00 C ATOM 579 C GLY A 40 -4.334 1.945 -5.651 1.00 0.00 C ATOM 580 O GLY A 40 -4.669 2.439 -6.726 1.00 0.00 O ATOM 0 H GLY A 40 -4.036 0.767 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.730 -0.153 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.150 0.859 -5.339 1.00 0.00 H new ATOM 584 N ALA A 41 -3.306 2.392 -4.938 1.00 0.00 N ATOM 585 CA ALA A 41 -2.495 3.512 -5.385 1.00 0.00 C ATOM 586 C ALA A 41 -1.056 3.366 -4.880 1.00 0.00 C ATOM 587 O ALA A 41 -0.132 3.177 -5.671 1.00 0.00 O ATOM 588 CB ALA A 41 -3.122 4.816 -4.918 1.00 0.00 C ATOM 0 H ALA A 41 -3.016 1.992 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.459 3.522 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.512 5.654 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.125 4.907 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.179 4.823 -3.830 1.00 0.00 H new ATOM 594 N GLY A 42 -0.868 3.448 -3.557 1.00 0.00 N ATOM 595 CA GLY A 42 0.467 3.316 -2.981 1.00 0.00 C ATOM 596 C GLY A 42 0.468 3.299 -1.468 1.00 0.00 C ATOM 597 O GLY A 42 -0.573 3.466 -0.836 1.00 0.00 O ATOM 0 H GLY A 42 -1.613 3.603 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.924 2.397 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.088 4.142 -3.328 1.00 0.00 H new ATOM 601 N TRP A 43 1.648 3.093 -0.890 1.00 0.00 N ATOM 602 CA TRP A 43 1.797 3.055 0.562 1.00 0.00 C ATOM 603 C TRP A 43 3.128 3.670 0.990 1.00 0.00 C ATOM 604 O TRP A 43 4.181 3.320 0.457 1.00 0.00 O ATOM 605 CB TRP A 43 1.703 1.614 1.065 1.00 0.00 C ATOM 606 CG TRP A 43 1.803 1.493 2.556 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.782 1.595 3.456 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.989 1.246 3.319 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.259 1.424 4.733 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.612 1.209 4.676 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.335 1.050 2.990 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.530 0.984 5.698 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.243 0.828 4.009 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.837 0.796 5.346 1.00 0.00 C ATOM 0 H TRP A 43 2.516 2.950 -1.406 1.00 0.00 H new ATOM 0 HA TRP A 43 0.990 3.641 1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.757 1.184 0.736 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.497 1.025 0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.251 1.783 3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.698 1.452 5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.658 1.072 1.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.220 0.959 6.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.285 0.677 3.767 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.572 0.619 6.117 1.00 0.00 H new ATOM 625 N GLY A 44 3.074 4.591 1.954 1.00 0.00 N ATOM 626 CA GLY A 44 4.282 5.235 2.432 1.00 0.00 C ATOM 627 C GLY A 44 4.008 6.361 3.411 1.00 0.00 C ATOM 628 O GLY A 44 2.886 6.520 3.894 1.00 0.00 O ATOM 0 H GLY A 44 2.215 4.899 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.918 4.491 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.838 5.628 1.581 1.00 0.00 H new ATOM 632 N ASP A 45 5.042 7.148 3.695 1.00 0.00 N ATOM 633 CA ASP A 45 4.921 8.280 4.609 1.00 0.00 C ATOM 634 C ASP A 45 4.727 9.555 3.806 1.00 0.00 C ATOM 635 O ASP A 45 5.477 9.814 2.865 1.00 0.00 O ATOM 636 CB ASP A 45 6.164 8.396 5.492 1.00 0.00 C ATOM 637 CG ASP A 45 7.450 8.219 4.707 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.664 7.118 4.161 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.242 9.183 4.641 1.00 0.00 O ATOM 0 H ASP A 45 5.976 7.022 3.304 1.00 0.00 H new ATOM 0 HA ASP A 45 4.059 8.123 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.170 9.371 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.117 7.646 6.281 1.00 0.00 H new ATOM 644 N ASN A 46 3.703 10.336 4.143 1.00 0.00 N ATOM 645 CA ASN A 46 3.427 11.552 3.392 1.00 0.00 C ATOM 646 C ASN A 46 3.567 11.234 1.909 1.00 0.00 C ATOM 647 O ASN A 46 3.065 10.207 1.456 1.00 0.00 O ATOM 648 CB ASN A 46 4.376 12.680 3.802 1.00 0.00 C ATOM 649 CG ASN A 46 3.792 14.059 3.546 1.00 0.00 C ATOM 650 OD1 ASN A 46 2.928 14.177 2.536 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 4.113 15.016 4.250 1.00 0.00 N flip ATOM 0 H ASN A 46 3.064 10.152 4.916 1.00 0.00 H new ATOM 0 HA ASN A 46 2.415 11.896 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.615 12.582 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.313 12.579 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.777 14.887 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.715 15.938 4.070 1.00 0.00 H new ATOM 658 N CYS A 47 4.259 12.071 1.148 1.00 0.00 N ATOM 659 CA CYS A 47 4.430 11.781 -0.263 1.00 0.00 C ATOM 660 C CYS A 47 5.664 10.914 -0.500 1.00 0.00 C ATOM 661 O CYS A 47 6.401 11.107 -1.466 1.00 0.00 O ATOM 662 CB CYS A 47 4.500 13.048 -1.103 1.00 0.00 C ATOM 663 SG CYS A 47 3.973 12.791 -2.802 1.00 0.00 S ATOM 0 H CYS A 47 4.699 12.932 1.474 1.00 0.00 H new ATOM 0 HA CYS A 47 3.548 11.225 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.875 13.816 -0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.523 13.425 -1.098 1.00 0.00 H new ATOM 668 N GLU A 48 5.847 9.930 0.371 1.00 0.00 N ATOM 669 CA GLU A 48 6.946 8.983 0.263 1.00 0.00 C ATOM 670 C GLU A 48 6.341 7.598 0.113 1.00 0.00 C ATOM 671 O GLU A 48 6.506 6.726 0.969 1.00 0.00 O ATOM 672 CB GLU A 48 7.847 9.044 1.499 1.00 0.00 C ATOM 673 CG GLU A 48 8.225 10.458 1.906 1.00 0.00 C ATOM 674 CD GLU A 48 8.887 11.231 0.782 1.00 0.00 C ATOM 675 OE1 GLU A 48 9.663 10.620 0.018 1.00 0.00 O ATOM 676 OE2 GLU A 48 8.629 12.448 0.666 1.00 0.00 O ATOM 0 H GLU A 48 5.237 9.767 1.172 1.00 0.00 H new ATOM 0 HA GLU A 48 7.568 9.226 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.340 8.558 2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.756 8.475 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.331 10.990 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.900 10.418 2.761 1.00 0.00 H new ATOM 683 N ILE A 49 5.575 7.446 -0.960 1.00 0.00 N ATOM 684 CA ILE A 49 4.851 6.217 -1.241 1.00 0.00 C ATOM 685 C ILE A 49 5.508 5.365 -2.324 1.00 0.00 C ATOM 686 O ILE A 49 6.396 5.810 -3.052 1.00 0.00 O ATOM 687 CB ILE A 49 3.400 6.570 -1.666 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.512 6.674 -0.435 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.812 5.571 -2.659 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.828 7.870 0.425 1.00 0.00 C ATOM 0 H ILE A 49 5.439 8.175 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 49 4.858 5.622 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 49 3.441 7.532 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.470 6.726 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.620 5.768 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.797 5.871 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.425 5.549 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.793 4.578 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.160 7.886 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.861 7.809 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.693 8.782 -0.156 1.00 0.00 H new ATOM 702 N PHE A 50 5.001 4.143 -2.430 1.00 0.00 N ATOM 703 CA PHE A 50 5.440 3.181 -3.424 1.00 0.00 C ATOM 704 C PHE A 50 4.221 2.717 -4.219 1.00 0.00 C ATOM 705 O PHE A 50 3.202 2.339 -3.635 1.00 0.00 O ATOM 706 CB PHE A 50 6.126 1.988 -2.756 1.00 0.00 C ATOM 707 CG PHE A 50 6.695 2.305 -1.403 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.609 3.333 -1.245 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.315 1.573 -0.289 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.135 3.628 -0.001 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.837 1.863 0.958 1.00 0.00 C ATOM 712 CZ PHE A 50 7.748 2.891 1.102 1.00 0.00 C ATOM 0 H PHE A 50 4.264 3.791 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 50 6.164 3.648 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.408 1.174 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.927 1.630 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.915 3.912 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.604 0.768 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.847 4.433 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.533 1.286 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.157 3.119 2.075 1.00 0.00 H new ATOM 722 N PRO A 51 4.298 2.768 -5.557 1.00 0.00 N ATOM 723 CA PRO A 51 3.190 2.377 -6.438 1.00 0.00 C ATOM 724 C PRO A 51 2.673 0.968 -6.161 1.00 0.00 C ATOM 725 O PRO A 51 3.281 -0.018 -6.573 1.00 0.00 O ATOM 726 CB PRO A 51 3.793 2.458 -7.848 1.00 0.00 C ATOM 727 CG PRO A 51 5.271 2.558 -7.647 1.00 0.00 C ATOM 728 CD PRO A 51 5.464 3.228 -6.319 1.00 0.00 C ATOM 0 HA PRO A 51 2.325 3.024 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.536 1.577 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.411 3.324 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.734 1.571 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.735 3.136 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.400 2.930 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.485 4.314 -6.412 1.00 0.00 H new ATOM 736 N CYS A 52 1.539 0.884 -5.468 1.00 0.00 N ATOM 737 CA CYS A 52 0.933 -0.405 -5.146 1.00 0.00 C ATOM 738 C CYS A 52 -0.579 -0.295 -5.036 1.00 0.00 C ATOM 739 O CYS A 52 -1.118 0.744 -4.642 1.00 0.00 O ATOM 740 CB CYS A 52 1.493 -0.952 -3.838 1.00 0.00 C ATOM 741 SG CYS A 52 1.136 0.088 -2.385 1.00 0.00 S ATOM 0 H CYS A 52 1.023 1.692 -5.120 1.00 0.00 H new ATOM 0 HA CYS A 52 1.176 -1.088 -5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.084 -1.948 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.573 -1.063 -3.936 1.00 0.00 H new ATOM 746 N PRO A 53 -1.287 -1.378 -5.374 1.00 0.00 N ATOM 747 CA PRO A 53 -0.685 -2.621 -5.842 1.00 0.00 C ATOM 748 C PRO A 53 -0.557 -2.661 -7.361 1.00 0.00 C ATOM 749 O PRO A 53 -0.672 -1.636 -8.032 1.00 0.00 O ATOM 750 CB PRO A 53 -1.695 -3.658 -5.368 1.00 0.00 C ATOM 751 CG PRO A 53 -3.016 -2.962 -5.459 1.00 0.00 C ATOM 752 CD PRO A 53 -2.747 -1.478 -5.335 1.00 0.00 C ATOM 0 HA PRO A 53 0.329 -2.770 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.672 -4.550 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.485 -3.979 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.505 -3.187 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.685 -3.300 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.207 -0.920 -6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.150 -1.076 -4.406 1.00 0.00 H new ATOM 760 N VAL A 54 -0.326 -3.853 -7.898 1.00 0.00 N ATOM 761 CA VAL A 54 -0.192 -4.032 -9.337 1.00 0.00 C ATOM 762 C VAL A 54 -1.181 -5.073 -9.859 1.00 0.00 C ATOM 763 O VAL A 54 -1.327 -5.253 -11.068 1.00 0.00 O ATOM 764 CB VAL A 54 1.239 -4.456 -9.718 1.00 0.00 C ATOM 765 CG1 VAL A 54 1.449 -4.348 -11.220 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.261 -3.614 -8.969 1.00 0.00 C ATOM 0 H VAL A 54 -0.228 -4.712 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.411 -3.069 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 54 1.377 -5.498 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.466 -4.652 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.741 -4.998 -11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.291 -3.317 -11.536 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.267 -3.927 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.124 -2.563 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.126 -3.748 -7.896 1.00 0.00 H new ATOM 776 N LEU A 55 -1.860 -5.753 -8.937 1.00 0.00 N ATOM 777 CA LEU A 55 -2.839 -6.775 -9.299 1.00 0.00 C ATOM 778 C LEU A 55 -2.211 -7.854 -10.174 1.00 0.00 C ATOM 779 O LEU A 55 -1.607 -7.560 -11.205 1.00 0.00 O ATOM 780 CB LEU A 55 -4.028 -6.142 -10.026 1.00 0.00 C ATOM 781 CG LEU A 55 -5.349 -6.167 -9.254 1.00 0.00 C ATOM 782 CD1 LEU A 55 -5.099 -6.038 -7.759 1.00 0.00 C ATOM 783 CD2 LEU A 55 -6.269 -5.057 -9.740 1.00 0.00 C ATOM 0 H LEU A 55 -1.750 -5.614 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.190 -7.241 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.781 -5.106 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.170 -6.658 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.836 -7.125 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.051 -6.058 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.477 -6.867 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.589 -5.096 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.204 -5.089 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.787 -4.092 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.476 -5.195 -10.801 1.00 0.00 H new ATOM 795 N GLY A 56 -2.360 -9.107 -9.756 1.00 0.00 N ATOM 796 CA GLY A 56 -1.802 -10.210 -10.513 1.00 0.00 C ATOM 797 C GLY A 56 -0.413 -9.908 -11.038 1.00 0.00 C ATOM 798 O GLY A 56 -0.077 -10.265 -12.167 1.00 0.00 O ATOM 0 H GLY A 56 -2.857 -9.377 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.763 -11.097 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.461 -10.443 -11.350 1.00 0.00 H new ATOM 802 N THR A 57 0.396 -9.247 -10.218 1.00 0.00 N ATOM 803 CA THR A 57 1.755 -8.896 -10.606 1.00 0.00 C ATOM 804 C THR A 57 2.734 -9.159 -9.468 1.00 0.00 C ATOM 805 O THR A 57 2.433 -9.903 -8.535 1.00 0.00 O ATOM 806 CB THR A 57 1.826 -7.428 -11.029 1.00 0.00 C ATOM 807 OG1 THR A 57 0.569 -6.799 -10.858 1.00 0.00 O ATOM 808 CG2 THR A 57 2.240 -7.242 -12.473 1.00 0.00 C ATOM 0 H THR A 57 0.133 -8.944 -9.280 1.00 0.00 H new ATOM 0 HA THR A 57 2.036 -9.523 -11.452 1.00 0.00 H new ATOM 0 HB THR A 57 2.585 -6.977 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.076 -7.180 -11.490 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.271 -6.178 -12.709 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.228 -7.677 -12.627 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.520 -7.737 -13.125 1.00 0.00 H new ATOM 816 N ALA A 58 3.907 -8.547 -9.558 1.00 0.00 N ATOM 817 CA ALA A 58 4.939 -8.714 -8.542 1.00 0.00 C ATOM 818 C ALA A 58 4.550 -8.040 -7.230 1.00 0.00 C ATOM 819 O ALA A 58 4.224 -8.708 -6.250 1.00 0.00 O ATOM 820 CB ALA A 58 6.261 -8.159 -9.047 1.00 0.00 C ATOM 0 H ALA A 58 4.169 -7.929 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 58 5.047 -9.781 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.026 -8.288 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.558 -8.692 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.148 -7.098 -9.272 1.00 0.00 H new ATOM 826 N GLU A 59 4.600 -6.711 -7.216 1.00 0.00 N ATOM 827 CA GLU A 59 4.267 -5.949 -6.017 1.00 0.00 C ATOM 828 C GLU A 59 3.126 -6.600 -5.239 1.00 0.00 C ATOM 829 O GLU A 59 3.363 -7.256 -4.224 1.00 0.00 O ATOM 830 CB GLU A 59 3.911 -4.506 -6.379 1.00 0.00 C ATOM 831 CG GLU A 59 4.192 -3.518 -5.259 1.00 0.00 C ATOM 832 CD GLU A 59 4.504 -2.127 -5.773 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.674 -1.972 -7.001 1.00 0.00 O ATOM 834 OE2 GLU A 59 4.579 -1.192 -4.948 1.00 0.00 O ATOM 0 H GLU A 59 4.867 -6.141 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 59 5.147 -5.943 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.475 -4.211 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.855 -4.455 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.328 -3.471 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.031 -3.878 -4.664 1.00 0.00 H new ATOM 841 N PHE A 60 1.891 -6.412 -5.705 1.00 0.00 N ATOM 842 CA PHE A 60 0.730 -6.983 -5.032 1.00 0.00 C ATOM 843 C PHE A 60 1.061 -8.333 -4.414 1.00 0.00 C ATOM 844 O PHE A 60 1.124 -8.471 -3.193 1.00 0.00 O ATOM 845 CB PHE A 60 -0.438 -7.150 -6.000 1.00 0.00 C ATOM 846 CG PHE A 60 -1.650 -7.740 -5.341 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.237 -7.105 -4.259 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.194 -8.931 -5.793 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.344 -7.648 -3.639 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.305 -9.476 -5.177 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.879 -8.832 -4.098 1.00 0.00 C ATOM 0 H PHE A 60 1.672 -5.871 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 60 0.445 -6.289 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.695 -6.180 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.131 -7.789 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.824 -6.175 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.746 -9.439 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.791 -7.145 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.724 -10.404 -5.539 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.747 -9.256 -3.615 1.00 0.00 H new ATOM 861 N THR A 61 1.269 -9.328 -5.267 1.00 0.00 N ATOM 862 CA THR A 61 1.592 -10.674 -4.808 1.00 0.00 C ATOM 863 C THR A 61 2.462 -10.631 -3.555 1.00 0.00 C ATOM 864 O THR A 61 2.396 -11.524 -2.711 1.00 0.00 O ATOM 865 CB THR A 61 2.291 -11.464 -5.920 1.00 0.00 C ATOM 866 OG1 THR A 61 2.031 -12.850 -5.788 1.00 0.00 O ATOM 867 CG2 THR A 61 3.794 -11.282 -5.946 1.00 0.00 C ATOM 0 H THR A 61 1.220 -9.229 -6.281 1.00 0.00 H new ATOM 0 HA THR A 61 0.660 -11.179 -4.554 1.00 0.00 H new ATOM 0 HB THR A 61 1.882 -11.067 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.484 -13.338 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.218 -11.871 -6.759 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.030 -10.229 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.217 -11.614 -4.998 1.00 0.00 H new ATOM 875 N GLU A 62 3.277 -9.584 -3.439 1.00 0.00 N ATOM 876 CA GLU A 62 4.157 -9.426 -2.287 1.00 0.00 C ATOM 877 C GLU A 62 3.377 -8.984 -1.052 1.00 0.00 C ATOM 878 O GLU A 62 3.401 -9.652 -0.018 1.00 0.00 O ATOM 879 CB GLU A 62 5.258 -8.412 -2.595 1.00 0.00 C ATOM 880 CG GLU A 62 5.828 -8.537 -3.998 1.00 0.00 C ATOM 881 CD GLU A 62 7.341 -8.427 -4.025 1.00 0.00 C ATOM 882 OE1 GLU A 62 8.014 -9.428 -3.702 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.851 -7.340 -4.367 1.00 0.00 O ATOM 0 H GLU A 62 3.345 -8.835 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 62 4.609 -10.395 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.861 -7.406 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.065 -8.534 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.529 -9.495 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.400 -7.760 -4.631 1.00 0.00 H new ATOM 890 N MET A 63 2.696 -7.849 -1.164 1.00 0.00 N ATOM 891 CA MET A 63 1.919 -7.310 -0.053 1.00 0.00 C ATOM 892 C MET A 63 0.736 -8.210 0.295 1.00 0.00 C ATOM 893 O MET A 63 0.468 -8.469 1.468 1.00 0.00 O ATOM 894 CB MET A 63 1.425 -5.899 -0.382 1.00 0.00 C ATOM 895 CG MET A 63 0.896 -5.738 -1.798 1.00 0.00 C ATOM 896 SD MET A 63 2.129 -5.043 -2.916 1.00 0.00 S ATOM 897 CE MET A 63 2.717 -3.653 -1.951 1.00 0.00 C ATOM 0 H MET A 63 2.666 -7.284 -2.013 1.00 0.00 H new ATOM 0 HA MET A 63 2.575 -7.267 0.816 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.637 -5.629 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.243 -5.195 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.573 -6.708 -2.175 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.017 -5.093 -1.784 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.669 -2.746 -2.553 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.092 -3.534 -1.066 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.748 -3.832 -1.646 1.00 0.00 H new ATOM 907 N CYS A 64 0.027 -8.678 -0.725 1.00 0.00 N ATOM 908 CA CYS A 64 -1.128 -9.542 -0.516 1.00 0.00 C ATOM 909 C CYS A 64 -0.971 -10.859 -1.268 1.00 0.00 C ATOM 910 O CYS A 64 -1.485 -11.021 -2.375 1.00 0.00 O ATOM 911 CB CYS A 64 -2.406 -8.831 -0.963 1.00 0.00 C ATOM 912 SG CYS A 64 -3.853 -9.179 0.089 1.00 0.00 S ATOM 0 H CYS A 64 0.231 -8.474 -1.703 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.196 -9.764 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.227 -7.756 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.635 -9.126 -1.987 1.00 0.00 H new ATOM 917 N PRO A 65 -0.254 -11.820 -0.668 1.00 0.00 N ATOM 918 CA PRO A 65 -0.024 -13.133 -1.276 1.00 0.00 C ATOM 919 C PRO A 65 -1.277 -14.000 -1.265 1.00 0.00 C ATOM 920 O PRO A 65 -1.288 -15.102 -1.816 1.00 0.00 O ATOM 921 CB PRO A 65 1.060 -13.747 -0.389 1.00 0.00 C ATOM 922 CG PRO A 65 0.875 -13.094 0.938 1.00 0.00 C ATOM 923 CD PRO A 65 0.389 -11.699 0.652 1.00 0.00 C ATOM 0 HA PRO A 65 0.259 -13.055 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.948 -14.829 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.055 -13.556 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.154 -13.641 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.811 -13.074 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.314 -11.356 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.211 -10.984 0.633 1.00 0.00 H new ATOM 931 N LYS A 66 -2.334 -13.497 -0.635 1.00 0.00 N ATOM 932 CA LYS A 66 -3.594 -14.225 -0.553 1.00 0.00 C ATOM 933 C LYS A 66 -4.557 -13.775 -1.646 1.00 0.00 C ATOM 934 O LYS A 66 -4.693 -14.433 -2.678 1.00 0.00 O ATOM 935 CB LYS A 66 -4.234 -14.025 0.822 1.00 0.00 C ATOM 936 CG LYS A 66 -4.460 -15.321 1.582 1.00 0.00 C ATOM 937 CD LYS A 66 -3.865 -15.257 2.978 1.00 0.00 C ATOM 938 CE LYS A 66 -4.934 -15.008 4.030 1.00 0.00 C ATOM 939 NZ LYS A 66 -4.537 -13.936 4.984 1.00 0.00 N ATOM 0 H LYS A 66 -2.342 -12.587 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.382 -15.284 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.598 -13.370 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.189 -13.515 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.529 -15.523 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.013 -16.149 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.348 -16.191 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.120 -14.463 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.867 -14.730 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.124 -15.930 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.293 -13.797 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.660 -14.212 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.380 -13.049 4.464 1.00 0.00 H new ATOM 953 N GLY A 67 -5.225 -12.650 -1.412 1.00 0.00 N ATOM 954 CA GLY A 67 -6.168 -12.131 -2.386 1.00 0.00 C ATOM 955 C GLY A 67 -6.392 -10.640 -2.235 1.00 0.00 C ATOM 956 O GLY A 67 -6.113 -10.066 -1.183 1.00 0.00 O ATOM 0 H GLY A 67 -5.130 -12.089 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.801 -12.341 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.120 -12.651 -2.279 1.00 0.00 H new ATOM 960 N LYS A 68 -6.895 -10.011 -3.292 1.00 0.00 N ATOM 961 CA LYS A 68 -7.153 -8.577 -3.274 1.00 0.00 C ATOM 962 C LYS A 68 -8.521 -8.275 -2.668 1.00 0.00 C ATOM 963 O LYS A 68 -9.554 -8.556 -3.276 1.00 0.00 O ATOM 964 CB LYS A 68 -7.073 -8.007 -4.692 1.00 0.00 C ATOM 965 CG LYS A 68 -6.967 -6.492 -4.734 1.00 0.00 C ATOM 966 CD LYS A 68 -8.312 -5.846 -5.018 1.00 0.00 C ATOM 967 CE LYS A 68 -8.163 -4.607 -5.886 1.00 0.00 C ATOM 968 NZ LYS A 68 -9.482 -4.020 -6.247 1.00 0.00 N ATOM 0 H LYS A 68 -7.132 -10.472 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.391 -8.104 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.210 -8.437 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.957 -8.317 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.581 -6.127 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.252 -6.198 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.964 -6.564 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.793 -5.577 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.567 -3.863 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.619 -4.864 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.337 -3.177 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.041 -4.721 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.991 -3.751 -5.381 1.00 0.00 H new ATOM 982 N GLY A 69 -8.520 -7.699 -1.469 1.00 0.00 N ATOM 983 CA GLY A 69 -9.768 -7.366 -0.807 1.00 0.00 C ATOM 984 C GLY A 69 -9.829 -7.871 0.623 1.00 0.00 C ATOM 985 O GLY A 69 -10.909 -8.168 1.136 1.00 0.00 O ATOM 0 H GLY A 69 -7.679 -7.458 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.899 -6.284 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.598 -7.789 -1.373 1.00 0.00 H new ATOM 989 N PHE A 70 -8.672 -7.964 1.271 1.00 0.00 N ATOM 990 CA PHE A 70 -8.604 -8.432 2.652 1.00 0.00 C ATOM 991 C PHE A 70 -8.647 -7.254 3.622 1.00 0.00 C ATOM 992 O PHE A 70 -8.271 -7.379 4.787 1.00 0.00 O ATOM 993 CB PHE A 70 -7.329 -9.247 2.876 1.00 0.00 C ATOM 994 CG PHE A 70 -7.530 -10.728 2.728 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.394 -11.339 1.491 1.00 0.00 C ATOM 996 CD2 PHE A 70 -7.853 -11.509 3.826 1.00 0.00 C ATOM 997 CE1 PHE A 70 -7.578 -12.701 1.353 1.00 0.00 C ATOM 998 CE2 PHE A 70 -8.038 -12.873 3.693 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.901 -13.470 2.455 1.00 0.00 C ATOM 0 H PHE A 70 -7.769 -7.722 0.863 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.468 -9.069 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.569 -8.919 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.945 -9.039 3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.141 -10.744 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.961 -11.047 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.469 -13.165 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.289 -13.471 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.046 -14.535 2.348 1.00 0.00 H new ATOM 1009 N VAL A 71 -9.104 -6.109 3.125 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.196 -4.896 3.932 1.00 0.00 C ATOM 1011 C VAL A 71 -10.239 -3.945 3.337 1.00 0.00 C ATOM 1012 O VAL A 71 -10.944 -4.312 2.397 1.00 0.00 O ATOM 1013 CB VAL A 71 -7.827 -4.184 4.034 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.466 -3.932 5.491 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -6.733 -4.997 3.354 1.00 0.00 C ATOM 0 H VAL A 71 -9.418 -5.995 2.161 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.503 -5.184 4.938 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.908 -3.226 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.500 -3.430 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.228 -3.303 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.411 -4.882 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.782 -4.472 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.654 -5.973 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.979 -5.129 2.300 1.00 0.00 H new ATOM 1025 N PRO A 72 -10.369 -2.715 3.871 1.00 0.00 N ATOM 1026 CA PRO A 72 -11.346 -1.747 3.371 1.00 0.00 C ATOM 1027 C PRO A 72 -10.838 -0.971 2.161 1.00 0.00 C ATOM 1028 O PRO A 72 -9.647 -0.992 1.852 1.00 0.00 O ATOM 1029 CB PRO A 72 -11.537 -0.818 4.564 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.210 -0.809 5.241 1.00 0.00 C ATOM 1031 CD PRO A 72 -9.591 -2.166 5.000 1.00 0.00 C ATOM 0 HA PRO A 72 -12.262 -2.225 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.828 0.183 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.320 -1.181 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.576 -0.018 4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.321 -0.618 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.532 -2.084 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.665 -2.801 5.883 1.00 0.00 H new ATOM 1039 N ALA A 73 -11.752 -0.286 1.480 1.00 0.00 N ATOM 1040 CA ALA A 73 -11.400 0.498 0.302 1.00 0.00 C ATOM 1041 C ALA A 73 -11.225 -0.394 -0.920 1.00 0.00 C ATOM 1042 O ALA A 73 -11.824 -0.155 -1.969 1.00 0.00 O ATOM 1043 CB ALA A 73 -10.134 1.301 0.560 1.00 0.00 C ATOM 0 H ALA A 73 -12.742 -0.258 1.724 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.218 1.189 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.884 1.881 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.296 1.976 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.314 0.622 0.793 1.00 0.00 H new ATOM 1049 N GLY A 74 -10.401 -1.424 -0.775 1.00 0.00 N ATOM 1050 CA GLY A 74 -10.159 -2.341 -1.873 1.00 0.00 C ATOM 1051 C GLY A 74 -11.187 -3.455 -1.934 1.00 0.00 C ATOM 1052 O GLY A 74 -11.479 -3.982 -3.008 1.00 0.00 O ATOM 0 H GLY A 74 -9.895 -1.641 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.169 -1.789 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.164 -2.774 -1.769 1.00 0.00 H new ATOM 1056 N GLU A 75 -11.737 -3.814 -0.778 1.00 0.00 N ATOM 1057 CA GLU A 75 -12.737 -4.872 -0.704 1.00 0.00 C ATOM 1058 C GLU A 75 -13.695 -4.800 -1.888 1.00 0.00 C ATOM 1059 O GLU A 75 -14.336 -5.828 -2.193 1.00 0.00 O ATOM 1060 CB GLU A 75 -13.521 -4.773 0.607 1.00 0.00 C ATOM 1061 CG GLU A 75 -14.443 -3.566 0.675 1.00 0.00 C ATOM 1062 CD GLU A 75 -15.840 -3.872 0.170 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -16.658 -4.388 0.961 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -16.116 -3.596 -1.016 1.00 0.00 O ATOM 1065 OXT GLU A 75 -13.798 -3.716 -2.500 1.00 0.00 O ATOM 0 H GLU A 75 -11.507 -3.388 0.120 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.217 -5.830 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.113 -5.679 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.818 -4.730 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.502 -3.215 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.017 -2.754 0.086 1.00 0.00 H new TER 1072 GLU A 75