USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 616 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 59 MET CE :methyl 159:sc= -1.22 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -5.39! C(o=-6.6!,f=-8!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -0.0583 (180deg=-0.348) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -145:sc= -2.62! (180deg=-4.86!) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.154 USER MOD Single : A 14 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-9.1!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.236 (180deg=-0.813) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -130:sc= -1.89 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 0.837 (180deg=0.527) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0386) USER MOD Single : A 51 SER OG : rot 150:sc= -1.26 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.53! C(o=-3.5!,f=-6!) USER MOD Single : A 74 GLN : amide:sc= -0.442 K(o=-0.44,f=-3.5!) USER MOD Single : A 78 SER OG : rot 89:sc=0.000536 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 62.214 -11.015 7.547 1.00 0.00 N ATOM 18 CA GLU A 2 62.444 -9.660 8.123 1.00 0.00 C ATOM 19 C GLU A 2 63.124 -9.794 9.487 1.00 0.00 C ATOM 20 O GLU A 2 62.784 -10.648 10.282 1.00 0.00 O ATOM 21 CB GLU A 2 61.105 -8.940 8.286 1.00 0.00 C ATOM 22 CG GLU A 2 61.304 -7.437 8.076 1.00 0.00 C ATOM 23 CD GLU A 2 60.975 -6.692 9.372 1.00 0.00 C ATOM 24 OE1 GLU A 2 60.879 -7.344 10.399 1.00 0.00 O ATOM 25 OE2 GLU A 2 60.826 -5.483 9.315 1.00 0.00 O ATOM 0 HA GLU A 2 63.084 -9.085 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.383 -9.326 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.697 -9.128 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 2 62.333 -7.234 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.663 -7.084 7.268 1.00 0.00 H new ATOM 32 N GLN A 3 64.085 -8.957 9.761 1.00 0.00 N ATOM 33 CA GLN A 3 64.791 -9.031 11.070 1.00 0.00 C ATOM 34 C GLN A 3 66.016 -8.120 11.032 1.00 0.00 C ATOM 35 O GLN A 3 66.277 -7.373 11.954 1.00 0.00 O ATOM 36 CB GLN A 3 65.229 -10.474 11.336 1.00 0.00 C ATOM 37 CG GLN A 3 64.352 -11.081 12.433 1.00 0.00 C ATOM 38 CD GLN A 3 65.157 -11.189 13.729 1.00 0.00 C ATOM 39 OE1 GLN A 3 65.305 -12.262 14.279 1.00 0.00 O ATOM 40 NE2 GLN A 3 65.687 -10.114 14.246 1.00 0.00 N ATOM 0 H GLN A 3 64.413 -8.223 9.133 1.00 0.00 H new ATOM 0 HA GLN A 3 64.121 -8.708 11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.148 -11.064 10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.276 -10.497 11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 3 63.469 -10.462 12.592 1.00 0.00 H new ATOM 0 HG3 GLN A 3 64.000 -12.066 12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 3 65.564 -9.212 13.785 1.00 0.00 H new ATOM 0 HE22 GLN A 3 66.225 -10.176 15.111 1.00 0.00 H new ATOM 49 N LEU A 4 66.765 -8.168 9.966 1.00 0.00 N ATOM 50 CA LEU A 4 67.967 -7.296 9.864 1.00 0.00 C ATOM 51 C LEU A 4 67.515 -5.841 9.736 1.00 0.00 C ATOM 52 O LEU A 4 68.212 -4.925 10.126 1.00 0.00 O ATOM 53 CB LEU A 4 68.785 -7.683 8.629 1.00 0.00 C ATOM 54 CG LEU A 4 68.906 -9.205 8.543 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.457 -9.673 7.158 1.00 0.00 C ATOM 56 CD2 LEU A 4 70.364 -9.612 8.772 1.00 0.00 C ATOM 0 H LEU A 4 66.597 -8.773 9.162 1.00 0.00 H new ATOM 0 HA LEU A 4 68.583 -7.418 10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 4 68.307 -7.296 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.776 -7.233 8.682 1.00 0.00 H new ATOM 0 HG LEU A 4 68.276 -9.665 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.543 -10.758 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.420 -9.381 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.088 -9.214 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.453 -10.697 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.994 -9.153 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.685 -9.276 9.758 1.00 0.00 H new ATOM 68 N ALA A 5 66.349 -5.623 9.189 1.00 0.00 N ATOM 69 CA ALA A 5 65.844 -4.231 9.032 1.00 0.00 C ATOM 70 C ALA A 5 65.529 -3.646 10.410 1.00 0.00 C ATOM 71 O ALA A 5 65.715 -2.472 10.653 1.00 0.00 O ATOM 72 CB ALA A 5 64.571 -4.243 8.183 1.00 0.00 C ATOM 0 H ALA A 5 65.724 -6.352 8.844 1.00 0.00 H new ATOM 0 HA ALA A 5 66.603 -3.622 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 5 64.201 -3.224 8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.792 -4.662 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.812 -4.851 8.674 1.00 0.00 H new ATOM 78 N LYS A 6 65.056 -4.458 11.315 1.00 0.00 N ATOM 79 CA LYS A 6 64.733 -3.948 12.676 1.00 0.00 C ATOM 80 C LYS A 6 66.029 -3.536 13.379 1.00 0.00 C ATOM 81 O LYS A 6 66.038 -2.662 14.222 1.00 0.00 O ATOM 82 CB LYS A 6 64.040 -5.049 13.483 1.00 0.00 C ATOM 83 CG LYS A 6 62.938 -4.433 14.348 1.00 0.00 C ATOM 84 CD LYS A 6 61.664 -5.273 14.228 1.00 0.00 C ATOM 85 CE LYS A 6 60.477 -4.359 13.922 1.00 0.00 C ATOM 86 NZ LYS A 6 59.640 -4.206 15.146 1.00 0.00 N ATOM 0 H LYS A 6 64.879 -5.452 11.170 1.00 0.00 H new ATOM 0 HA LYS A 6 64.069 -3.087 12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.615 -5.794 12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.765 -5.564 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 6 63.260 -4.388 15.388 1.00 0.00 H new ATOM 0 HG3 LYS A 6 62.742 -3.409 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.778 -6.015 13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.487 -5.819 15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 6 60.832 -3.384 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.881 -4.778 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.832 -3.584 14.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 59.291 -5.138 15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 60.212 -3.788 15.908 1.00 0.00 H new ATOM 100 N GLN A 7 67.123 -4.162 13.041 1.00 0.00 N ATOM 101 CA GLN A 7 68.414 -3.810 13.687 1.00 0.00 C ATOM 102 C GLN A 7 68.909 -2.466 13.153 1.00 0.00 C ATOM 103 O GLN A 7 68.945 -1.479 13.861 1.00 0.00 O ATOM 104 CB GLN A 7 69.450 -4.894 13.379 1.00 0.00 C ATOM 105 CG GLN A 7 69.805 -5.642 14.666 1.00 0.00 C ATOM 106 CD GLN A 7 71.144 -6.359 14.489 1.00 0.00 C ATOM 107 OE1 GLN A 7 71.903 -6.496 15.428 1.00 0.00 O ATOM 108 NE2 GLN A 7 71.470 -6.826 13.314 1.00 0.00 N ATOM 0 H GLN A 7 67.176 -4.904 12.343 1.00 0.00 H new ATOM 0 HA GLN A 7 68.270 -3.738 14.765 1.00 0.00 H new ATOM 0 HB2 GLN A 7 69.055 -5.590 12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 7 70.345 -4.445 12.948 1.00 0.00 H new ATOM 0 HG2 GLN A 7 69.863 -4.943 15.501 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.024 -6.363 14.907 1.00 0.00 H new ATOM 0 HE21 GLN A 7 70.834 -6.712 12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 7 72.361 -7.305 13.185 1.00 0.00 H new ATOM 117 N LYS A 8 69.293 -2.423 11.909 1.00 0.00 N ATOM 118 CA LYS A 8 69.787 -1.145 11.322 1.00 0.00 C ATOM 119 C LYS A 8 68.786 -0.029 11.620 1.00 0.00 C ATOM 120 O LYS A 8 69.142 1.020 12.123 1.00 0.00 O ATOM 121 CB LYS A 8 69.940 -1.305 9.808 1.00 0.00 C ATOM 122 CG LYS A 8 71.210 -2.100 9.503 1.00 0.00 C ATOM 123 CD LYS A 8 70.831 -3.491 8.991 1.00 0.00 C ATOM 124 CE LYS A 8 71.415 -4.554 9.921 1.00 0.00 C ATOM 125 NZ LYS A 8 72.902 -4.455 9.914 1.00 0.00 N ATOM 0 H LYS A 8 69.287 -3.219 11.271 1.00 0.00 H new ATOM 0 HA LYS A 8 70.753 -0.892 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.070 -1.817 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.988 -0.326 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.809 -1.577 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.822 -2.186 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 8 69.746 -3.590 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.208 -3.632 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 8 71.035 -4.416 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 8 71.104 -5.547 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.313 -5.397 10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.221 -4.086 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 73.211 -3.812 10.671 1.00 0.00 H new ATOM 139 N GLY A 9 67.537 -0.245 11.317 1.00 0.00 N ATOM 140 CA GLY A 9 66.510 0.802 11.586 1.00 0.00 C ATOM 141 C GLY A 9 66.036 1.411 10.264 1.00 0.00 C ATOM 142 O GLY A 9 66.080 2.609 10.073 1.00 0.00 O ATOM 0 H GLY A 9 67.181 -1.102 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.665 0.368 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.928 1.579 12.226 1.00 0.00 H new ATOM 146 N CYS A 10 65.579 0.596 9.352 1.00 0.00 N ATOM 147 CA CYS A 10 65.100 1.134 8.046 1.00 0.00 C ATOM 148 C CYS A 10 63.600 1.426 8.136 1.00 0.00 C ATOM 149 O CYS A 10 63.099 2.346 7.524 1.00 0.00 O ATOM 150 CB CYS A 10 65.344 0.101 6.943 1.00 0.00 C ATOM 151 SG CYS A 10 67.038 -0.532 7.053 1.00 0.00 S ATOM 0 H CYS A 10 65.517 -0.417 9.454 1.00 0.00 H new ATOM 0 HA CYS A 10 65.642 2.051 7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.633 -0.720 7.038 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.179 0.554 5.966 1.00 0.00 H new ATOM 0 HG CYS A 10 67.235 -1.410 6.114 1.00 0.00 H new ATOM 156 N MET A 11 62.880 0.642 8.892 1.00 0.00 N ATOM 157 CA MET A 11 61.412 0.866 9.019 1.00 0.00 C ATOM 158 C MET A 11 61.149 2.202 9.717 1.00 0.00 C ATOM 159 O MET A 11 60.060 2.739 9.655 1.00 0.00 O ATOM 160 CB MET A 11 60.795 -0.268 9.839 1.00 0.00 C ATOM 161 CG MET A 11 60.758 -1.545 8.998 1.00 0.00 C ATOM 162 SD MET A 11 59.193 -1.626 8.091 1.00 0.00 S ATOM 163 CE MET A 11 59.862 -2.272 6.538 1.00 0.00 C ATOM 0 H MET A 11 63.246 -0.145 9.428 1.00 0.00 H new ATOM 0 HA MET A 11 60.963 0.886 8.026 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.377 -0.434 10.745 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.787 0.003 10.153 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.596 -1.558 8.301 1.00 0.00 H new ATOM 0 HG3 MET A 11 60.864 -2.419 9.640 1.00 0.00 H new ATOM 0 HE1 MET A 11 59.307 -1.851 5.700 1.00 0.00 H new ATOM 0 HE2 MET A 11 60.913 -1.997 6.452 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.769 -3.358 6.526 1.00 0.00 H new ATOM 173 N ALA A 12 62.132 2.745 10.380 1.00 0.00 N ATOM 174 CA ALA A 12 61.925 4.044 11.077 1.00 0.00 C ATOM 175 C ALA A 12 61.377 5.066 10.079 1.00 0.00 C ATOM 176 O ALA A 12 60.589 5.926 10.421 1.00 0.00 O ATOM 177 CB ALA A 12 63.254 4.544 11.644 1.00 0.00 C ATOM 0 H ALA A 12 63.067 2.347 10.469 1.00 0.00 H new ATOM 0 HA ALA A 12 61.216 3.911 11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.098 5.495 12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.645 3.813 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.968 4.681 10.832 1.00 0.00 H new ATOM 183 N CYS A 13 61.787 4.974 8.844 1.00 0.00 N ATOM 184 CA CYS A 13 61.293 5.933 7.818 1.00 0.00 C ATOM 185 C CYS A 13 60.753 5.152 6.619 1.00 0.00 C ATOM 186 O CYS A 13 60.822 5.603 5.493 1.00 0.00 O ATOM 187 CB CYS A 13 62.448 6.823 7.361 1.00 0.00 C ATOM 188 SG CYS A 13 63.410 7.360 8.797 1.00 0.00 S ATOM 0 H CYS A 13 62.445 4.274 8.501 1.00 0.00 H new ATOM 0 HA CYS A 13 60.501 6.550 8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 13 63.087 6.278 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 13 62.062 7.690 6.825 1.00 0.00 H new ATOM 0 HG CYS A 13 64.392 8.115 8.403 1.00 0.00 H new ATOM 193 N HIS A 14 60.225 3.981 6.846 1.00 0.00 N ATOM 194 CA HIS A 14 59.691 3.178 5.711 1.00 0.00 C ATOM 195 C HIS A 14 58.380 2.506 6.117 1.00 0.00 C ATOM 196 O HIS A 14 57.886 2.686 7.214 1.00 0.00 O ATOM 197 CB HIS A 14 60.711 2.102 5.325 1.00 0.00 C ATOM 198 CG HIS A 14 61.732 2.690 4.391 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.532 2.749 3.020 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.969 3.244 4.614 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.623 3.321 2.476 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.529 3.641 3.403 1.00 0.00 N ATOM 0 H HIS A 14 60.140 3.547 7.765 1.00 0.00 H new ATOM 0 HA HIS A 14 59.509 3.837 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.201 1.713 6.218 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.206 1.262 4.847 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.709 2.419 2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.436 3.355 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.750 3.499 1.418 1.00 0.00 H new ATOM 210 N ASP A 15 57.815 1.730 5.236 1.00 0.00 N ATOM 211 CA ASP A 15 56.538 1.035 5.550 1.00 0.00 C ATOM 212 C ASP A 15 56.160 0.141 4.370 1.00 0.00 C ATOM 213 O ASP A 15 56.419 0.466 3.230 1.00 0.00 O ATOM 214 CB ASP A 15 55.433 2.068 5.787 1.00 0.00 C ATOM 215 CG ASP A 15 54.834 1.863 7.179 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.495 2.211 8.144 1.00 0.00 O ATOM 217 OD2 ASP A 15 53.725 1.359 7.257 1.00 0.00 O ATOM 0 H ASP A 15 58.187 1.546 4.304 1.00 0.00 H new ATOM 0 HA ASP A 15 56.658 0.431 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.838 3.076 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.658 1.968 5.027 1.00 0.00 H new ATOM 222 N LEU A 16 55.558 -0.984 4.629 1.00 0.00 N ATOM 223 CA LEU A 16 55.175 -1.892 3.513 1.00 0.00 C ATOM 224 C LEU A 16 53.820 -1.478 2.955 1.00 0.00 C ATOM 225 O LEU A 16 53.384 -1.971 1.934 1.00 0.00 O ATOM 226 CB LEU A 16 55.078 -3.326 4.027 1.00 0.00 C ATOM 227 CG LEU A 16 56.447 -3.781 4.533 1.00 0.00 C ATOM 228 CD1 LEU A 16 57.521 -3.409 3.511 1.00 0.00 C ATOM 229 CD2 LEU A 16 56.754 -3.088 5.860 1.00 0.00 C ATOM 0 H LEU A 16 55.315 -1.314 5.563 1.00 0.00 H new ATOM 0 HA LEU A 16 55.931 -1.829 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.343 -3.387 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.735 -3.986 3.231 1.00 0.00 H new ATOM 0 HG LEU A 16 56.438 -4.862 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 58.496 -3.734 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.305 -3.899 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.529 -2.328 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.730 -3.411 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.761 -2.008 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.990 -3.350 6.592 1.00 0.00 H new ATOM 241 N LYS A 17 53.139 -0.588 3.616 1.00 0.00 N ATOM 242 CA LYS A 17 51.810 -0.174 3.108 1.00 0.00 C ATOM 243 C LYS A 17 51.767 1.343 2.919 1.00 0.00 C ATOM 244 O LYS A 17 50.794 1.992 3.249 1.00 0.00 O ATOM 245 CB LYS A 17 50.726 -0.598 4.101 1.00 0.00 C ATOM 246 CG LYS A 17 49.918 -1.759 3.516 1.00 0.00 C ATOM 247 CD LYS A 17 48.972 -2.312 4.585 1.00 0.00 C ATOM 248 CE LYS A 17 48.362 -3.632 4.101 1.00 0.00 C ATOM 249 NZ LYS A 17 48.221 -3.605 2.617 1.00 0.00 N ATOM 0 H LYS A 17 53.443 -0.134 4.477 1.00 0.00 H new ATOM 0 HA LYS A 17 51.633 -0.656 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.181 -0.898 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.068 0.243 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 17 49.348 -1.420 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.589 -2.544 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 17 49.514 -2.471 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.182 -1.590 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.994 -4.468 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 17 47.388 -3.786 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 47.548 -4.340 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 47.870 -2.672 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 49.146 -3.784 2.177 1.00 0.00 H new ATOM 263 N ALA A 18 52.807 1.913 2.380 1.00 0.00 N ATOM 264 CA ALA A 18 52.816 3.386 2.158 1.00 0.00 C ATOM 265 C ALA A 18 52.540 4.117 3.471 1.00 0.00 C ATOM 266 O ALA A 18 52.360 3.511 4.508 1.00 0.00 O ATOM 267 CB ALA A 18 51.734 3.750 1.142 1.00 0.00 C ATOM 0 H ALA A 18 53.651 1.424 2.083 1.00 0.00 H new ATOM 0 HA ALA A 18 53.795 3.684 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 18 51.738 4.827 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.932 3.238 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 18 50.760 3.445 1.523 1.00 0.00 H new ATOM 273 N LYS A 19 52.504 5.419 3.423 1.00 0.00 N ATOM 274 CA LYS A 19 52.235 6.216 4.654 1.00 0.00 C ATOM 275 C LYS A 19 53.439 6.133 5.597 1.00 0.00 C ATOM 276 O LYS A 19 53.631 5.157 6.293 1.00 0.00 O ATOM 277 CB LYS A 19 50.988 5.670 5.355 1.00 0.00 C ATOM 278 CG LYS A 19 49.829 6.652 5.175 1.00 0.00 C ATOM 279 CD LYS A 19 48.503 5.931 5.427 1.00 0.00 C ATOM 280 CE LYS A 19 47.957 5.387 4.104 1.00 0.00 C ATOM 281 NZ LYS A 19 46.898 4.374 4.381 1.00 0.00 N ATOM 0 H LYS A 19 52.650 5.970 2.577 1.00 0.00 H new ATOM 0 HA LYS A 19 52.067 7.258 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 19 50.722 4.697 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 19 51.190 5.521 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 19 49.937 7.488 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 19 49.843 7.067 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 19 48.649 5.115 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 19 47.784 6.617 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 47.549 6.201 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 19 48.762 4.937 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 46.527 4.005 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 47.302 3.593 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 46.126 4.817 4.918 1.00 0.00 H new ATOM 295 N LYS A 20 54.248 7.158 5.623 1.00 0.00 N ATOM 296 CA LYS A 20 55.443 7.155 6.517 1.00 0.00 C ATOM 297 C LYS A 20 56.369 8.308 6.120 1.00 0.00 C ATOM 298 O LYS A 20 55.989 9.191 5.376 1.00 0.00 O ATOM 299 CB LYS A 20 56.190 5.825 6.374 1.00 0.00 C ATOM 300 CG LYS A 20 56.309 5.155 7.746 1.00 0.00 C ATOM 301 CD LYS A 20 57.607 5.602 8.423 1.00 0.00 C ATOM 302 CE LYS A 20 57.897 4.696 9.623 1.00 0.00 C ATOM 303 NZ LYS A 20 57.235 5.253 10.837 1.00 0.00 N ATOM 0 H LYS A 20 54.132 8.001 5.061 1.00 0.00 H new ATOM 0 HA LYS A 20 55.126 7.278 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.659 5.170 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.181 5.996 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 20 55.453 5.419 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 20 56.299 4.071 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 20 58.433 5.559 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 20 57.521 6.639 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 57.533 3.687 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 58.972 4.621 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 57.431 4.638 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 57.603 6.207 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 56.208 5.303 10.680 1.00 0.00 H new ATOM 317 N VAL A 21 57.581 8.310 6.605 1.00 0.00 N ATOM 318 CA VAL A 21 58.522 9.409 6.245 1.00 0.00 C ATOM 319 C VAL A 21 59.146 9.110 4.882 1.00 0.00 C ATOM 320 O VAL A 21 58.864 9.767 3.900 1.00 0.00 O ATOM 321 CB VAL A 21 59.629 9.506 7.299 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.562 10.667 6.952 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.009 9.751 8.676 1.00 0.00 C ATOM 0 H VAL A 21 57.959 7.601 7.233 1.00 0.00 H new ATOM 0 HA VAL A 21 57.979 10.353 6.204 1.00 0.00 H new ATOM 0 HB VAL A 21 60.193 8.574 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.350 10.737 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.007 10.495 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 21 59.994 11.597 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 21 59.799 9.820 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.443 10.682 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.343 8.926 8.927 1.00 0.00 H new ATOM 333 N GLY A 22 59.992 8.119 4.816 1.00 0.00 N ATOM 334 CA GLY A 22 60.634 7.770 3.517 1.00 0.00 C ATOM 335 C GLY A 22 59.613 7.070 2.618 1.00 0.00 C ATOM 336 O GLY A 22 58.447 6.998 2.949 1.00 0.00 O ATOM 0 H GLY A 22 60.267 7.535 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 22 61.007 8.671 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.492 7.120 3.686 1.00 0.00 H new ATOM 340 N PRO A 23 60.084 6.572 1.503 1.00 0.00 N ATOM 341 CA PRO A 23 59.232 5.866 0.529 1.00 0.00 C ATOM 342 C PRO A 23 58.937 4.441 1.008 1.00 0.00 C ATOM 343 O PRO A 23 59.803 3.589 1.024 1.00 0.00 O ATOM 344 CB PRO A 23 60.081 5.850 -0.745 1.00 0.00 C ATOM 345 CG PRO A 23 61.550 6.027 -0.292 1.00 0.00 C ATOM 346 CD PRO A 23 61.504 6.666 1.110 1.00 0.00 C ATOM 0 HA PRO A 23 58.262 6.342 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.952 4.913 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.783 6.652 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 23 62.065 5.067 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 23 62.097 6.662 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 23 62.148 6.135 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.843 7.702 1.087 1.00 0.00 H new ATOM 354 N ALA A 24 57.719 4.178 1.395 1.00 0.00 N ATOM 355 CA ALA A 24 57.363 2.812 1.870 1.00 0.00 C ATOM 356 C ALA A 24 57.968 1.773 0.927 1.00 0.00 C ATOM 357 O ALA A 24 58.026 1.971 -0.269 1.00 0.00 O ATOM 358 CB ALA A 24 55.841 2.657 1.877 1.00 0.00 C ATOM 0 H ALA A 24 56.954 4.852 1.403 1.00 0.00 H new ATOM 0 HA ALA A 24 57.752 2.665 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.579 1.658 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.403 3.400 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.456 2.803 0.868 1.00 0.00 H new ATOM 364 N TYR A 25 58.413 0.665 1.452 1.00 0.00 N ATOM 365 CA TYR A 25 59.005 -0.386 0.584 1.00 0.00 C ATOM 366 C TYR A 25 58.003 -0.761 -0.508 1.00 0.00 C ATOM 367 O TYR A 25 58.351 -0.902 -1.664 1.00 0.00 O ATOM 368 CB TYR A 25 59.314 -1.619 1.432 1.00 0.00 C ATOM 369 CG TYR A 25 60.523 -1.371 2.309 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.212 -0.150 2.252 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.958 -2.375 3.185 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.329 0.064 3.068 1.00 0.00 C ATOM 373 CE2 TYR A 25 62.074 -2.160 4.000 1.00 0.00 C ATOM 374 CZ TYR A 25 62.760 -0.941 3.942 1.00 0.00 C ATOM 375 OH TYR A 25 63.861 -0.730 4.745 1.00 0.00 O ATOM 0 H TYR A 25 58.391 0.444 2.447 1.00 0.00 H new ATOM 0 HA TYR A 25 59.922 -0.014 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.452 -1.866 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.497 -2.476 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 25 60.880 0.626 1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 25 60.430 -3.316 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 25 62.858 1.004 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 25 62.407 -2.935 4.675 1.00 0.00 H new ATOM 0 HH TYR A 25 64.479 -1.486 4.658 1.00 0.00 H new ATOM 385 N ALA A 26 56.757 -0.927 -0.150 1.00 0.00 N ATOM 386 CA ALA A 26 55.736 -1.296 -1.167 1.00 0.00 C ATOM 387 C ALA A 26 55.761 -0.276 -2.308 1.00 0.00 C ATOM 388 O ALA A 26 55.816 -0.628 -3.470 1.00 0.00 O ATOM 389 CB ALA A 26 54.350 -1.295 -0.519 1.00 0.00 C ATOM 0 H ALA A 26 56.405 -0.823 0.802 1.00 0.00 H new ATOM 0 HA ALA A 26 55.956 -2.289 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.600 -1.565 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.329 -2.018 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.132 -0.301 -0.128 1.00 0.00 H new ATOM 395 N ASP A 27 55.713 0.985 -1.981 1.00 0.00 N ATOM 396 CA ASP A 27 55.725 2.036 -3.034 1.00 0.00 C ATOM 397 C ASP A 27 57.074 2.044 -3.754 1.00 0.00 C ATOM 398 O ASP A 27 57.179 2.476 -4.886 1.00 0.00 O ATOM 399 CB ASP A 27 55.489 3.396 -2.379 1.00 0.00 C ATOM 400 CG ASP A 27 54.020 3.518 -1.970 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.555 2.657 -1.242 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.385 4.470 -2.393 1.00 0.00 O ATOM 0 H ASP A 27 55.666 1.334 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 27 54.939 1.830 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.131 3.507 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.752 4.196 -3.072 1.00 0.00 H new ATOM 407 N VAL A 28 58.109 1.572 -3.115 1.00 0.00 N ATOM 408 CA VAL A 28 59.443 1.556 -3.770 1.00 0.00 C ATOM 409 C VAL A 28 59.423 0.540 -4.910 1.00 0.00 C ATOM 410 O VAL A 28 59.585 0.881 -6.064 1.00 0.00 O ATOM 411 CB VAL A 28 60.512 1.166 -2.750 1.00 0.00 C ATOM 412 CG1 VAL A 28 61.815 0.824 -3.473 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.752 2.337 -1.796 1.00 0.00 C ATOM 0 H VAL A 28 58.086 1.197 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 28 59.673 2.546 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 28 60.174 0.296 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.575 0.546 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.645 -0.010 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.156 1.691 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.514 2.062 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.088 3.205 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.825 2.580 -1.277 1.00 0.00 H new ATOM 423 N ALA A 29 59.215 -0.707 -4.593 1.00 0.00 N ATOM 424 CA ALA A 29 59.174 -1.744 -5.658 1.00 0.00 C ATOM 425 C ALA A 29 58.130 -1.341 -6.699 1.00 0.00 C ATOM 426 O ALA A 29 58.206 -1.718 -7.851 1.00 0.00 O ATOM 427 CB ALA A 29 58.796 -3.093 -5.043 1.00 0.00 C ATOM 0 H ALA A 29 59.072 -1.052 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 29 60.152 -1.830 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.766 -3.853 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.537 -3.372 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.816 -3.017 -4.573 1.00 0.00 H new ATOM 433 N LYS A 30 57.155 -0.568 -6.300 1.00 0.00 N ATOM 434 CA LYS A 30 56.106 -0.132 -7.262 1.00 0.00 C ATOM 435 C LYS A 30 56.732 0.776 -8.321 1.00 0.00 C ATOM 436 O LYS A 30 56.502 0.620 -9.504 1.00 0.00 O ATOM 437 CB LYS A 30 55.019 0.641 -6.510 1.00 0.00 C ATOM 438 CG LYS A 30 53.656 0.339 -7.133 1.00 0.00 C ATOM 439 CD LYS A 30 52.978 -0.788 -6.354 1.00 0.00 C ATOM 440 CE LYS A 30 53.177 -2.111 -7.095 1.00 0.00 C ATOM 441 NZ LYS A 30 53.505 -3.183 -6.114 1.00 0.00 N ATOM 0 H LYS A 30 57.041 -0.220 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 30 55.668 -1.006 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.020 0.360 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.222 1.711 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.032 1.232 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.777 0.052 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 30 53.398 -0.854 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 51.914 -0.578 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.273 -2.371 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 30 53.980 -2.014 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 53.641 -4.084 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 54.378 -2.934 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.725 -3.281 -5.433 1.00 0.00 H new ATOM 455 N LYS A 31 57.519 1.730 -7.905 1.00 0.00 N ATOM 456 CA LYS A 31 58.156 2.653 -8.884 1.00 0.00 C ATOM 457 C LYS A 31 59.074 1.862 -9.819 1.00 0.00 C ATOM 458 O LYS A 31 59.356 2.281 -10.924 1.00 0.00 O ATOM 459 CB LYS A 31 58.977 3.702 -8.131 1.00 0.00 C ATOM 460 CG LYS A 31 58.034 4.655 -7.395 1.00 0.00 C ATOM 461 CD LYS A 31 58.210 6.073 -7.940 1.00 0.00 C ATOM 462 CE LYS A 31 57.595 6.162 -9.336 1.00 0.00 C ATOM 463 NZ LYS A 31 57.071 7.537 -9.561 1.00 0.00 N ATOM 0 H LYS A 31 57.748 1.910 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 31 57.382 3.146 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.646 3.215 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 31 59.603 4.259 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.001 4.331 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.244 4.637 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 31 57.733 6.792 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 31 59.269 6.330 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 31 58.343 5.918 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 31 56.791 5.434 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 56.652 7.598 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.345 7.753 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 57.849 8.222 -9.481 1.00 0.00 H new ATOM 477 N TYR A 32 59.544 0.724 -9.388 1.00 0.00 N ATOM 478 CA TYR A 32 60.444 -0.084 -10.259 1.00 0.00 C ATOM 479 C TYR A 32 59.666 -1.275 -10.838 1.00 0.00 C ATOM 480 O TYR A 32 58.781 -1.104 -11.653 1.00 0.00 O ATOM 481 CB TYR A 32 61.636 -0.579 -9.437 1.00 0.00 C ATOM 482 CG TYR A 32 62.404 0.603 -8.894 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.748 1.663 -9.741 1.00 0.00 C ATOM 484 CD2 TYR A 32 62.771 0.636 -7.543 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.461 2.757 -9.237 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.483 1.731 -7.039 1.00 0.00 C ATOM 487 CZ TYR A 32 63.828 2.791 -7.886 1.00 0.00 C ATOM 488 OH TYR A 32 64.531 3.869 -7.387 1.00 0.00 O ATOM 0 H TYR A 32 59.345 0.319 -8.473 1.00 0.00 H new ATOM 0 HA TYR A 32 60.810 0.531 -11.081 1.00 0.00 H new ATOM 0 HB2 TYR A 32 61.289 -1.208 -8.617 1.00 0.00 H new ATOM 0 HB3 TYR A 32 62.287 -1.195 -10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 32 62.464 1.637 -10.783 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.505 -0.182 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 32 63.728 3.575 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.766 1.758 -5.997 1.00 0.00 H new ATOM 0 HH TYR A 32 64.704 3.733 -6.432 1.00 0.00 H new ATOM 498 N ALA A 33 59.983 -2.481 -10.434 1.00 0.00 N ATOM 499 CA ALA A 33 59.254 -3.660 -10.975 1.00 0.00 C ATOM 500 C ALA A 33 59.728 -3.936 -12.399 1.00 0.00 C ATOM 501 O ALA A 33 59.395 -3.225 -13.327 1.00 0.00 O ATOM 502 CB ALA A 33 57.751 -3.379 -10.978 1.00 0.00 C ATOM 0 H ALA A 33 60.713 -2.695 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 33 59.454 -4.530 -10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 57.220 -4.244 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 33 57.415 -3.183 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 33 57.545 -2.509 -11.602 1.00 0.00 H new ATOM 508 N GLY A 34 60.513 -4.960 -12.576 1.00 0.00 N ATOM 509 CA GLY A 34 61.025 -5.281 -13.936 1.00 0.00 C ATOM 510 C GLY A 34 62.387 -4.615 -14.124 1.00 0.00 C ATOM 511 O GLY A 34 63.087 -4.866 -15.086 1.00 0.00 O ATOM 0 H GLY A 34 60.823 -5.590 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.113 -6.360 -14.060 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.326 -4.929 -14.694 1.00 0.00 H new ATOM 515 N ARG A 35 62.771 -3.767 -13.207 1.00 0.00 N ATOM 516 CA ARG A 35 64.092 -3.088 -13.332 1.00 0.00 C ATOM 517 C ARG A 35 65.196 -4.146 -13.399 1.00 0.00 C ATOM 518 O ARG A 35 65.400 -4.903 -12.470 1.00 0.00 O ATOM 519 CB ARG A 35 64.320 -2.182 -12.120 1.00 0.00 C ATOM 520 CG ARG A 35 63.409 -0.957 -12.223 1.00 0.00 C ATOM 521 CD ARG A 35 63.866 -0.076 -13.387 1.00 0.00 C ATOM 522 NE ARG A 35 64.504 1.162 -12.858 1.00 0.00 N ATOM 523 CZ ARG A 35 65.060 2.016 -13.676 1.00 0.00 C ATOM 524 NH1 ARG A 35 65.061 1.786 -14.962 1.00 0.00 N ATOM 525 NH2 ARG A 35 65.617 3.099 -13.209 1.00 0.00 N ATOM 0 H ARG A 35 62.229 -3.516 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 35 64.109 -2.483 -14.239 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.111 -2.728 -11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.364 -1.870 -12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 35 62.376 -1.271 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 35 63.437 -0.391 -11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.572 -0.621 -14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 35 63.015 0.182 -14.017 1.00 0.00 H new ATOM 0 HE ARG A 35 64.507 1.344 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 35 64.627 0.939 -15.329 1.00 0.00 H new ATOM 0 HH12 ARG A 35 65.495 2.454 -15.599 1.00 0.00 H new ATOM 0 HH21 ARG A 35 65.619 3.279 -12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 35 66.051 3.765 -13.848 1.00 0.00 H new ATOM 539 N LYS A 36 65.907 -4.207 -14.491 1.00 0.00 N ATOM 540 CA LYS A 36 66.993 -5.221 -14.617 1.00 0.00 C ATOM 541 C LYS A 36 68.091 -4.931 -13.591 1.00 0.00 C ATOM 542 O LYS A 36 68.636 -5.828 -12.982 1.00 0.00 O ATOM 543 CB LYS A 36 67.585 -5.159 -16.027 1.00 0.00 C ATOM 544 CG LYS A 36 67.719 -6.575 -16.589 1.00 0.00 C ATOM 545 CD LYS A 36 66.495 -6.901 -17.448 1.00 0.00 C ATOM 546 CE LYS A 36 66.476 -5.987 -18.675 1.00 0.00 C ATOM 547 NZ LYS A 36 65.638 -6.606 -19.740 1.00 0.00 N ATOM 0 H LYS A 36 65.784 -3.600 -15.301 1.00 0.00 H new ATOM 0 HA LYS A 36 66.583 -6.214 -14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 36 66.946 -4.559 -16.675 1.00 0.00 H new ATOM 0 HB3 LYS A 36 68.560 -4.673 -16.002 1.00 0.00 H new ATOM 0 HG2 LYS A 36 68.627 -6.656 -17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 36 67.807 -7.294 -15.775 1.00 0.00 H new ATOM 0 HD2 LYS A 36 66.523 -7.945 -17.759 1.00 0.00 H new ATOM 0 HD3 LYS A 36 65.583 -6.766 -16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 66.078 -5.008 -18.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 67.491 -5.830 -19.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 65.624 -5.986 -20.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.036 -7.530 -20.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 64.668 -6.734 -19.388 1.00 0.00 H new ATOM 561 N ASP A 37 68.420 -3.684 -13.396 1.00 0.00 N ATOM 562 CA ASP A 37 69.485 -3.342 -12.412 1.00 0.00 C ATOM 563 C ASP A 37 68.861 -2.627 -11.211 1.00 0.00 C ATOM 564 O ASP A 37 69.357 -1.618 -10.751 1.00 0.00 O ATOM 565 CB ASP A 37 70.514 -2.424 -13.075 1.00 0.00 C ATOM 566 CG ASP A 37 71.756 -3.236 -13.447 1.00 0.00 C ATOM 567 OD1 ASP A 37 71.971 -4.268 -12.833 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.469 -2.814 -14.342 1.00 0.00 O ATOM 0 H ASP A 37 67.998 -2.888 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 37 69.976 -4.255 -12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.086 -1.964 -13.966 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.785 -1.614 -12.397 1.00 0.00 H new ATOM 573 N ALA A 38 67.777 -3.143 -10.699 1.00 0.00 N ATOM 574 CA ALA A 38 67.122 -2.492 -9.530 1.00 0.00 C ATOM 575 C ALA A 38 67.855 -2.889 -8.246 1.00 0.00 C ATOM 576 O ALA A 38 67.742 -2.235 -7.229 1.00 0.00 O ATOM 577 CB ALA A 38 65.663 -2.945 -9.445 1.00 0.00 C ATOM 0 H ALA A 38 67.317 -3.987 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 38 67.160 -1.409 -9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.183 -2.469 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.140 -2.662 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.625 -4.028 -9.326 1.00 0.00 H new ATOM 583 N VAL A 39 68.604 -3.957 -8.282 1.00 0.00 N ATOM 584 CA VAL A 39 69.340 -4.390 -7.061 1.00 0.00 C ATOM 585 C VAL A 39 70.585 -3.520 -6.879 1.00 0.00 C ATOM 586 O VAL A 39 70.819 -2.970 -5.823 1.00 0.00 O ATOM 587 CB VAL A 39 69.751 -5.855 -7.208 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.096 -6.429 -5.832 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.591 -6.650 -7.811 1.00 0.00 C ATOM 0 H VAL A 39 68.738 -4.548 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 39 68.695 -4.282 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 39 70.621 -5.924 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.389 -7.474 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 39 70.920 -5.863 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.225 -6.360 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.882 -7.695 -7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.722 -6.580 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.341 -6.242 -8.790 1.00 0.00 H new ATOM 599 N ASP A 40 71.387 -3.391 -7.902 1.00 0.00 N ATOM 600 CA ASP A 40 72.614 -2.553 -7.783 1.00 0.00 C ATOM 601 C ASP A 40 72.212 -1.085 -7.628 1.00 0.00 C ATOM 602 O ASP A 40 72.812 -0.344 -6.874 1.00 0.00 O ATOM 603 CB ASP A 40 73.470 -2.718 -9.041 1.00 0.00 C ATOM 604 CG ASP A 40 73.536 -4.198 -9.426 1.00 0.00 C ATOM 605 OD1 ASP A 40 73.813 -5.004 -8.554 1.00 0.00 O ATOM 606 OD2 ASP A 40 73.311 -4.498 -10.587 1.00 0.00 O ATOM 0 H ASP A 40 71.246 -3.829 -8.812 1.00 0.00 H new ATOM 0 HA ASP A 40 73.187 -2.868 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.046 -2.137 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.474 -2.333 -8.863 1.00 0.00 H new ATOM 611 N TYR A 41 71.202 -0.657 -8.336 1.00 0.00 N ATOM 612 CA TYR A 41 70.762 0.760 -8.231 1.00 0.00 C ATOM 613 C TYR A 41 70.255 1.038 -6.814 1.00 0.00 C ATOM 614 O TYR A 41 70.714 1.943 -6.145 1.00 0.00 O ATOM 615 CB TYR A 41 69.635 1.018 -9.233 1.00 0.00 C ATOM 616 CG TYR A 41 69.481 2.505 -9.450 1.00 0.00 C ATOM 617 CD1 TYR A 41 68.929 3.306 -8.444 1.00 0.00 C ATOM 618 CD2 TYR A 41 69.889 3.082 -10.659 1.00 0.00 C ATOM 619 CE1 TYR A 41 68.785 4.684 -8.646 1.00 0.00 C ATOM 620 CE2 TYR A 41 69.745 4.460 -10.861 1.00 0.00 C ATOM 621 CZ TYR A 41 69.193 5.261 -9.855 1.00 0.00 C ATOM 622 OH TYR A 41 69.053 6.619 -10.054 1.00 0.00 O ATOM 0 H TYR A 41 70.662 -1.231 -8.984 1.00 0.00 H new ATOM 0 HA TYR A 41 71.604 1.417 -8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.855 0.523 -10.179 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.701 0.596 -8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 41 68.614 2.861 -7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 41 70.315 2.464 -11.436 1.00 0.00 H new ATOM 0 HE1 TYR A 41 68.359 5.302 -7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 41 70.060 4.905 -11.793 1.00 0.00 H new ATOM 0 HH TYR A 41 69.386 6.855 -10.945 1.00 0.00 H new ATOM 632 N LEU A 42 69.308 0.268 -6.351 1.00 0.00 N ATOM 633 CA LEU A 42 68.768 0.488 -4.979 1.00 0.00 C ATOM 634 C LEU A 42 69.897 0.368 -3.955 1.00 0.00 C ATOM 635 O LEU A 42 70.233 1.316 -3.273 1.00 0.00 O ATOM 636 CB LEU A 42 67.692 -0.559 -4.681 1.00 0.00 C ATOM 637 CG LEU A 42 66.364 -0.120 -5.303 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.359 -1.272 -5.228 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.814 1.084 -4.534 1.00 0.00 C ATOM 0 H LEU A 42 68.884 -0.505 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 42 68.332 1.485 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.991 -1.527 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.578 -0.682 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 42 66.525 0.155 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.413 -0.959 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 42 65.749 -2.131 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.198 -1.547 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.868 1.397 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.653 0.808 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.528 1.906 -4.585 1.00 0.00 H new ATOM 651 N ALA A 43 70.483 -0.789 -3.843 1.00 0.00 N ATOM 652 CA ALA A 43 71.590 -0.976 -2.863 1.00 0.00 C ATOM 653 C ALA A 43 72.535 0.227 -2.926 1.00 0.00 C ATOM 654 O ALA A 43 73.054 0.674 -1.922 1.00 0.00 O ATOM 655 CB ALA A 43 72.363 -2.252 -3.205 1.00 0.00 C ATOM 0 H ALA A 43 70.243 -1.617 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 43 71.177 -1.060 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.173 -2.390 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 71.690 -3.108 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 72.777 -2.168 -4.210 1.00 0.00 H new ATOM 661 N GLY A 44 72.762 0.755 -4.099 1.00 0.00 N ATOM 662 CA GLY A 44 73.673 1.928 -4.225 1.00 0.00 C ATOM 663 C GLY A 44 73.142 3.083 -3.377 1.00 0.00 C ATOM 664 O GLY A 44 73.865 3.685 -2.608 1.00 0.00 O ATOM 0 H GLY A 44 72.356 0.425 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.678 1.657 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.747 2.234 -5.269 1.00 0.00 H new ATOM 668 N LYS A 45 71.884 3.400 -3.512 1.00 0.00 N ATOM 669 CA LYS A 45 71.308 4.519 -2.713 1.00 0.00 C ATOM 670 C LYS A 45 70.949 4.020 -1.311 1.00 0.00 C ATOM 671 O LYS A 45 70.540 4.782 -0.459 1.00 0.00 O ATOM 672 CB LYS A 45 70.050 5.045 -3.406 1.00 0.00 C ATOM 673 CG LYS A 45 69.948 6.558 -3.198 1.00 0.00 C ATOM 674 CD LYS A 45 70.565 7.283 -4.397 1.00 0.00 C ATOM 675 CE LYS A 45 69.867 6.836 -5.681 1.00 0.00 C ATOM 676 NZ LYS A 45 70.840 6.116 -6.550 1.00 0.00 N ATOM 0 H LYS A 45 71.230 2.933 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 45 72.042 5.321 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.085 4.815 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.166 4.551 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 68.904 6.850 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.464 6.845 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 45 70.465 8.361 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 45 71.632 7.066 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 45 69.025 6.186 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 69.463 7.700 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 70.324 5.556 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.452 6.806 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.424 5.483 -5.967 1.00 0.00 H new ATOM 690 N ILE A 46 71.100 2.747 -1.063 1.00 0.00 N ATOM 691 CA ILE A 46 70.768 2.209 0.285 1.00 0.00 C ATOM 692 C ILE A 46 71.947 2.449 1.230 1.00 0.00 C ATOM 693 O ILE A 46 71.772 2.724 2.400 1.00 0.00 O ATOM 694 CB ILE A 46 70.483 0.708 0.180 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.112 0.497 -0.469 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.489 0.083 1.576 1.00 0.00 C ATOM 697 CD1 ILE A 46 68.772 -0.996 -0.477 1.00 0.00 C ATOM 0 H ILE A 46 71.438 2.058 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 46 69.884 2.714 0.675 1.00 0.00 H new ATOM 0 HB ILE A 46 71.253 0.234 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.350 1.051 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.117 0.885 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.286 -0.985 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.465 0.234 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 46 69.721 0.554 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 46 67.796 -1.144 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.528 -1.538 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 46 68.749 -1.369 0.547 1.00 0.00 H new ATOM 709 N LYS A 47 73.151 2.351 0.732 1.00 0.00 N ATOM 710 CA LYS A 47 74.339 2.577 1.601 1.00 0.00 C ATOM 711 C LYS A 47 74.732 4.056 1.548 1.00 0.00 C ATOM 712 O LYS A 47 75.538 4.522 2.329 1.00 0.00 O ATOM 713 CB LYS A 47 75.509 1.721 1.108 1.00 0.00 C ATOM 714 CG LYS A 47 76.747 2.002 1.962 1.00 0.00 C ATOM 715 CD LYS A 47 77.738 0.844 1.825 1.00 0.00 C ATOM 716 CE LYS A 47 79.086 1.377 1.333 1.00 0.00 C ATOM 717 NZ LYS A 47 79.033 1.575 -0.143 1.00 0.00 N ATOM 0 H LYS A 47 73.362 2.124 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 47 74.096 2.299 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.248 0.664 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.719 1.942 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 47 77.215 2.934 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.460 2.127 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.862 0.343 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.352 0.102 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.320 2.319 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.881 0.677 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.949 1.937 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.829 0.667 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.285 2.259 -0.375 1.00 0.00 H new ATOM 731 N LYS A 48 74.172 4.796 0.632 1.00 0.00 N ATOM 732 CA LYS A 48 74.515 6.243 0.530 1.00 0.00 C ATOM 733 C LYS A 48 73.302 7.087 0.928 1.00 0.00 C ATOM 734 O LYS A 48 73.238 7.626 2.016 1.00 0.00 O ATOM 735 CB LYS A 48 74.913 6.572 -0.911 1.00 0.00 C ATOM 736 CG LYS A 48 76.211 5.842 -1.266 1.00 0.00 C ATOM 737 CD LYS A 48 76.264 5.605 -2.777 1.00 0.00 C ATOM 738 CE LYS A 48 76.896 6.817 -3.465 1.00 0.00 C ATOM 739 NZ LYS A 48 78.378 6.755 -3.319 1.00 0.00 N ATOM 0 H LYS A 48 73.492 4.462 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 48 75.347 6.466 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.118 6.275 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 75.046 7.648 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.071 6.432 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.263 4.891 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.843 4.708 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.259 5.437 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.624 6.832 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 48 76.515 7.738 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 78.819 7.443 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 78.640 6.980 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 78.710 5.798 -3.555 1.00 0.00 H new ATOM 753 N GLY A 49 72.338 7.207 0.055 1.00 0.00 N ATOM 754 CA GLY A 49 71.130 8.018 0.385 1.00 0.00 C ATOM 755 C GLY A 49 71.049 9.221 -0.557 1.00 0.00 C ATOM 756 O GLY A 49 70.871 9.077 -1.751 1.00 0.00 O ATOM 0 H GLY A 49 72.334 6.779 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.232 7.407 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.178 8.356 1.420 1.00 0.00 H new ATOM 760 N GLY A 50 71.177 10.408 -0.030 1.00 0.00 N ATOM 761 CA GLY A 50 71.106 11.621 -0.895 1.00 0.00 C ATOM 762 C GLY A 50 69.643 11.997 -1.132 1.00 0.00 C ATOM 763 O GLY A 50 68.744 11.433 -0.541 1.00 0.00 O ATOM 0 H GLY A 50 71.328 10.591 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.633 12.449 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.602 11.431 -1.847 1.00 0.00 H new ATOM 767 N SER A 51 69.393 12.945 -1.995 1.00 0.00 N ATOM 768 CA SER A 51 67.991 13.352 -2.268 1.00 0.00 C ATOM 769 C SER A 51 67.846 13.742 -3.739 1.00 0.00 C ATOM 770 O SER A 51 68.783 14.190 -4.370 1.00 0.00 O ATOM 771 CB SER A 51 67.622 14.544 -1.383 1.00 0.00 C ATOM 772 OG SER A 51 68.752 14.918 -0.605 1.00 0.00 O ATOM 0 H SER A 51 70.103 13.454 -2.522 1.00 0.00 H new ATOM 0 HA SER A 51 67.324 12.518 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.296 15.382 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 51 66.787 14.284 -0.732 1.00 0.00 H new ATOM 0 HG SER A 51 68.721 15.881 -0.424 1.00 0.00 H new ATOM 778 N GLY A 52 66.675 13.576 -4.292 1.00 0.00 N ATOM 779 CA GLY A 52 66.467 13.937 -5.723 1.00 0.00 C ATOM 780 C GLY A 52 65.709 12.811 -6.428 1.00 0.00 C ATOM 781 O GLY A 52 65.211 12.976 -7.524 1.00 0.00 O ATOM 0 H GLY A 52 65.853 13.206 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.906 14.869 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.428 14.104 -6.210 1.00 0.00 H new ATOM 785 N VAL A 53 65.615 11.667 -5.807 1.00 0.00 N ATOM 786 CA VAL A 53 64.887 10.531 -6.439 1.00 0.00 C ATOM 787 C VAL A 53 63.446 10.497 -5.926 1.00 0.00 C ATOM 788 O VAL A 53 62.562 9.965 -6.567 1.00 0.00 O ATOM 789 CB VAL A 53 65.582 9.215 -6.084 1.00 0.00 C ATOM 790 CG1 VAL A 53 65.134 8.122 -7.057 1.00 0.00 C ATOM 791 CG2 VAL A 53 67.099 9.394 -6.184 1.00 0.00 C ATOM 0 H VAL A 53 66.012 11.470 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 53 64.886 10.662 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 53 65.316 8.928 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.629 7.184 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.054 7.993 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 53 65.399 8.409 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.593 8.456 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 53 67.365 9.682 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.420 10.172 -5.491 1.00 0.00 H new ATOM 801 N TRP A 54 63.201 11.054 -4.771 1.00 0.00 N ATOM 802 CA TRP A 54 61.815 11.043 -4.221 1.00 0.00 C ATOM 803 C TRP A 54 61.362 12.476 -3.932 1.00 0.00 C ATOM 804 O TRP A 54 60.504 12.709 -3.103 1.00 0.00 O ATOM 805 CB TRP A 54 61.789 10.233 -2.924 1.00 0.00 C ATOM 806 CG TRP A 54 61.755 8.772 -3.246 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.846 7.989 -3.412 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.597 7.911 -3.441 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.430 6.699 -3.696 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.053 6.601 -3.726 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.210 8.135 -3.399 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.162 5.553 -3.960 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.311 7.082 -3.634 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.787 5.793 -3.915 1.00 0.00 C ATOM 0 H TRP A 54 63.898 11.515 -4.186 1.00 0.00 H new ATOM 0 HA TRP A 54 61.142 10.591 -4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.668 10.463 -2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.916 10.505 -2.331 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.872 8.316 -3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.063 5.917 -3.863 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.833 9.124 -3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.534 4.562 -4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.247 7.266 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.091 4.987 -4.096 1.00 0.00 H new ATOM 825 N GLY A 55 61.927 13.441 -4.606 1.00 0.00 N ATOM 826 CA GLY A 55 61.523 14.854 -4.362 1.00 0.00 C ATOM 827 C GLY A 55 62.694 15.626 -3.752 1.00 0.00 C ATOM 828 O GLY A 55 63.738 15.768 -4.357 1.00 0.00 O ATOM 0 H GLY A 55 62.650 13.312 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.215 15.321 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.664 14.886 -3.691 1.00 0.00 H new ATOM 832 N SER A 56 62.528 16.130 -2.559 1.00 0.00 N ATOM 833 CA SER A 56 63.634 16.896 -1.917 1.00 0.00 C ATOM 834 C SER A 56 63.891 16.352 -0.509 1.00 0.00 C ATOM 835 O SER A 56 64.300 17.074 0.378 1.00 0.00 O ATOM 836 CB SER A 56 63.246 18.372 -1.828 1.00 0.00 C ATOM 837 OG SER A 56 61.864 18.514 -2.131 1.00 0.00 O ATOM 0 H SER A 56 61.677 16.045 -2.003 1.00 0.00 H new ATOM 0 HA SER A 56 64.539 16.791 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.452 18.754 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.845 18.960 -2.524 1.00 0.00 H new ATOM 0 HG SER A 56 61.612 19.459 -2.073 1.00 0.00 H new ATOM 843 N VAL A 57 63.661 15.084 -0.298 1.00 0.00 N ATOM 844 CA VAL A 57 63.901 14.497 1.052 1.00 0.00 C ATOM 845 C VAL A 57 65.317 13.905 1.098 1.00 0.00 C ATOM 846 O VAL A 57 65.588 12.919 0.442 1.00 0.00 O ATOM 847 CB VAL A 57 62.878 13.389 1.313 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.808 13.103 2.813 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.500 13.840 0.820 1.00 0.00 C ATOM 0 H VAL A 57 63.318 14.430 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 57 63.801 15.271 1.813 1.00 0.00 H new ATOM 0 HB VAL A 57 63.179 12.486 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.079 12.314 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.788 12.784 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.507 14.007 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.771 13.051 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.201 14.743 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.546 14.047 -0.249 1.00 0.00 H new ATOM 859 N PRO A 58 66.180 14.525 1.863 1.00 0.00 N ATOM 860 CA PRO A 58 67.579 14.078 2.000 1.00 0.00 C ATOM 861 C PRO A 58 67.674 12.876 2.946 1.00 0.00 C ATOM 862 O PRO A 58 67.393 12.976 4.123 1.00 0.00 O ATOM 863 CB PRO A 58 68.289 15.297 2.595 1.00 0.00 C ATOM 864 CG PRO A 58 67.195 16.145 3.287 1.00 0.00 C ATOM 865 CD PRO A 58 65.851 15.725 2.662 1.00 0.00 C ATOM 0 HA PRO A 58 68.016 13.752 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.053 14.991 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.792 15.872 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.193 15.971 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.377 17.209 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.108 15.502 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.437 16.517 2.038 1.00 0.00 H new ATOM 873 N MET A 59 68.078 11.741 2.439 1.00 0.00 N ATOM 874 CA MET A 59 68.201 10.537 3.310 1.00 0.00 C ATOM 875 C MET A 59 69.664 10.382 3.742 1.00 0.00 C ATOM 876 O MET A 59 70.562 10.537 2.938 1.00 0.00 O ATOM 877 CB MET A 59 67.759 9.296 2.530 1.00 0.00 C ATOM 878 CG MET A 59 68.124 8.033 3.314 1.00 0.00 C ATOM 879 SD MET A 59 67.996 6.591 2.226 1.00 0.00 S ATOM 880 CE MET A 59 68.720 5.385 3.364 1.00 0.00 C ATOM 0 H MET A 59 68.328 11.597 1.461 1.00 0.00 H new ATOM 0 HA MET A 59 67.569 10.650 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.684 9.329 2.356 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.240 9.280 1.552 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.137 8.116 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.458 7.917 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.415 4.380 3.072 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.807 5.458 3.329 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.375 5.589 4.378 1.00 0.00 H new ATOM 890 N PRO A 60 69.863 10.088 5.003 1.00 0.00 N ATOM 891 CA PRO A 60 71.211 9.914 5.574 1.00 0.00 C ATOM 892 C PRO A 60 71.764 8.524 5.243 1.00 0.00 C ATOM 893 O PRO A 60 71.010 7.593 5.032 1.00 0.00 O ATOM 894 CB PRO A 60 70.981 10.057 7.080 1.00 0.00 C ATOM 895 CG PRO A 60 69.488 9.732 7.327 1.00 0.00 C ATOM 896 CD PRO A 60 68.768 9.902 5.976 1.00 0.00 C ATOM 0 HA PRO A 60 71.934 10.629 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.624 9.376 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.219 11.066 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.370 8.716 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.066 10.400 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.164 9.027 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.096 10.760 5.988 1.00 0.00 H new ATOM 904 N PRO A 61 73.069 8.425 5.218 1.00 0.00 N ATOM 905 CA PRO A 61 73.763 7.159 4.928 1.00 0.00 C ATOM 906 C PRO A 61 73.736 6.248 6.161 1.00 0.00 C ATOM 907 O PRO A 61 73.941 6.689 7.274 1.00 0.00 O ATOM 908 CB PRO A 61 75.192 7.598 4.598 1.00 0.00 C ATOM 909 CG PRO A 61 75.382 8.987 5.252 1.00 0.00 C ATOM 910 CD PRO A 61 73.972 9.566 5.475 1.00 0.00 C ATOM 0 HA PRO A 61 73.305 6.590 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.918 6.883 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.343 7.652 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.919 8.900 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.972 9.640 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.854 9.947 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.770 10.395 4.797 1.00 0.00 H new ATOM 918 N GLN A 62 73.479 4.983 5.972 1.00 0.00 N ATOM 919 CA GLN A 62 73.434 4.048 7.131 1.00 0.00 C ATOM 920 C GLN A 62 74.789 3.356 7.287 1.00 0.00 C ATOM 921 O GLN A 62 75.752 3.697 6.627 1.00 0.00 O ATOM 922 CB GLN A 62 72.348 2.996 6.891 1.00 0.00 C ATOM 923 CG GLN A 62 70.977 3.574 7.253 1.00 0.00 C ATOM 924 CD GLN A 62 70.846 4.986 6.677 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.456 5.158 5.539 1.00 0.00 O ATOM 926 NE2 GLN A 62 71.159 6.009 7.421 1.00 0.00 N ATOM 0 H GLN A 62 73.298 4.556 5.064 1.00 0.00 H new ATOM 0 HA GLN A 62 73.208 4.607 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.357 2.683 5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.549 2.109 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.186 2.935 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.856 3.600 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.486 5.864 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.077 6.955 7.048 1.00 0.00 H new ATOM 935 N ASN A 63 74.873 2.384 8.154 1.00 0.00 N ATOM 936 CA ASN A 63 76.164 1.669 8.355 1.00 0.00 C ATOM 937 C ASN A 63 76.009 0.205 7.935 1.00 0.00 C ATOM 938 O ASN A 63 75.909 -0.681 8.761 1.00 0.00 O ATOM 939 CB ASN A 63 76.558 1.736 9.831 1.00 0.00 C ATOM 940 CG ASN A 63 76.387 3.168 10.340 1.00 0.00 C ATOM 941 OD1 ASN A 63 77.144 4.048 9.980 1.00 0.00 O ATOM 942 ND2 ASN A 63 75.416 3.440 11.168 1.00 0.00 N ATOM 0 H ASN A 63 74.101 2.054 8.733 1.00 0.00 H new ATOM 0 HA ASN A 63 76.938 2.140 7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 63 75.939 1.055 10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 63 77.592 1.415 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 63 75.292 4.392 11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 63 74.781 2.701 11.470 1.00 0.00 H new ATOM 949 N VAL A 64 75.991 -0.057 6.658 1.00 0.00 N ATOM 950 CA VAL A 64 75.845 -1.465 6.189 1.00 0.00 C ATOM 951 C VAL A 64 76.907 -1.761 5.129 1.00 0.00 C ATOM 952 O VAL A 64 77.386 -0.873 4.452 1.00 0.00 O ATOM 953 CB VAL A 64 74.455 -1.668 5.582 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.477 -2.096 6.676 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.975 -0.358 4.950 1.00 0.00 C ATOM 0 H VAL A 64 76.071 0.641 5.919 1.00 0.00 H new ATOM 0 HA VAL A 64 75.972 -2.140 7.036 1.00 0.00 H new ATOM 0 HB VAL A 64 74.504 -2.442 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.487 -2.240 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.817 -3.030 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.428 -1.323 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.985 -0.504 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.927 0.418 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.671 -0.055 4.168 1.00 0.00 H new ATOM 965 N THR A 65 77.276 -3.004 4.976 1.00 0.00 N ATOM 966 CA THR A 65 78.303 -3.354 3.956 1.00 0.00 C ATOM 967 C THR A 65 77.630 -3.496 2.592 1.00 0.00 C ATOM 968 O THR A 65 76.465 -3.188 2.426 1.00 0.00 O ATOM 969 CB THR A 65 78.974 -4.677 4.336 1.00 0.00 C ATOM 970 OG1 THR A 65 80.113 -4.892 3.513 1.00 0.00 O ATOM 971 CG2 THR A 65 77.983 -5.827 4.156 1.00 0.00 C ATOM 0 H THR A 65 76.911 -3.791 5.513 1.00 0.00 H new ATOM 0 HA THR A 65 79.057 -2.568 3.912 1.00 0.00 H new ATOM 0 HB THR A 65 79.289 -4.633 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 65 80.540 -5.738 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 65 78.463 -6.767 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 65 77.116 -5.664 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 65 77.662 -5.871 3.115 1.00 0.00 H new ATOM 979 N ASP A 66 78.354 -3.957 1.614 1.00 0.00 N ATOM 980 CA ASP A 66 77.762 -4.116 0.260 1.00 0.00 C ATOM 981 C ASP A 66 76.877 -5.364 0.230 1.00 0.00 C ATOM 982 O ASP A 66 75.815 -5.367 -0.358 1.00 0.00 O ATOM 983 CB ASP A 66 78.881 -4.256 -0.773 1.00 0.00 C ATOM 984 CG ASP A 66 79.317 -2.867 -1.245 1.00 0.00 C ATOM 985 OD1 ASP A 66 79.129 -1.923 -0.496 1.00 0.00 O ATOM 986 OD2 ASP A 66 79.829 -2.772 -2.348 1.00 0.00 O ATOM 0 H ASP A 66 79.333 -4.231 1.694 1.00 0.00 H new ATOM 0 HA ASP A 66 77.158 -3.240 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.728 -4.786 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.536 -4.848 -1.621 1.00 0.00 H new ATOM 991 N ALA A 67 77.305 -6.423 0.859 1.00 0.00 N ATOM 992 CA ALA A 67 76.487 -7.668 0.865 1.00 0.00 C ATOM 993 C ALA A 67 75.116 -7.377 1.480 1.00 0.00 C ATOM 994 O ALA A 67 74.090 -7.629 0.882 1.00 0.00 O ATOM 995 CB ALA A 67 77.199 -8.743 1.691 1.00 0.00 C ATOM 0 H ALA A 67 78.186 -6.480 1.369 1.00 0.00 H new ATOM 0 HA ALA A 67 76.358 -8.021 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.601 -9.654 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 67 78.175 -8.952 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.329 -8.389 2.714 1.00 0.00 H new ATOM 1001 N GLU A 68 75.091 -6.848 2.673 1.00 0.00 N ATOM 1002 CA GLU A 68 73.788 -6.543 3.326 1.00 0.00 C ATOM 1003 C GLU A 68 72.959 -5.633 2.418 1.00 0.00 C ATOM 1004 O GLU A 68 71.772 -5.825 2.246 1.00 0.00 O ATOM 1005 CB GLU A 68 74.040 -5.839 4.661 1.00 0.00 C ATOM 1006 CG GLU A 68 74.639 -6.833 5.659 1.00 0.00 C ATOM 1007 CD GLU A 68 74.333 -6.371 7.084 1.00 0.00 C ATOM 1008 OE1 GLU A 68 74.664 -5.241 7.404 1.00 0.00 O ATOM 1009 OE2 GLU A 68 73.772 -7.154 7.832 1.00 0.00 O ATOM 0 H GLU A 68 75.917 -6.614 3.223 1.00 0.00 H new ATOM 0 HA GLU A 68 73.244 -7.472 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.718 -4.998 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.107 -5.433 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.225 -7.827 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.717 -6.907 5.513 1.00 0.00 H new ATOM 1016 N ALA A 69 73.577 -4.644 1.838 1.00 0.00 N ATOM 1017 CA ALA A 69 72.827 -3.716 0.942 1.00 0.00 C ATOM 1018 C ALA A 69 72.181 -4.509 -0.195 1.00 0.00 C ATOM 1019 O ALA A 69 71.080 -4.219 -0.620 1.00 0.00 O ATOM 1020 CB ALA A 69 73.793 -2.684 0.357 1.00 0.00 C ATOM 0 H ALA A 69 74.570 -4.436 1.944 1.00 0.00 H new ATOM 0 HA ALA A 69 72.051 -3.208 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 69 73.247 -2.005 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 69 74.253 -2.116 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.568 -3.194 -0.214 1.00 0.00 H new ATOM 1026 N LYS A 70 72.860 -5.502 -0.694 1.00 0.00 N ATOM 1027 CA LYS A 70 72.293 -6.311 -1.806 1.00 0.00 C ATOM 1028 C LYS A 70 71.039 -7.043 -1.326 1.00 0.00 C ATOM 1029 O LYS A 70 70.010 -7.019 -1.970 1.00 0.00 O ATOM 1030 CB LYS A 70 73.332 -7.332 -2.276 1.00 0.00 C ATOM 1031 CG LYS A 70 73.746 -7.018 -3.715 1.00 0.00 C ATOM 1032 CD LYS A 70 75.205 -7.432 -3.929 1.00 0.00 C ATOM 1033 CE LYS A 70 75.595 -7.196 -5.390 1.00 0.00 C ATOM 1034 NZ LYS A 70 76.384 -8.358 -5.889 1.00 0.00 N ATOM 0 H LYS A 70 73.786 -5.789 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 70 72.030 -5.651 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 74.204 -7.306 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.919 -8.339 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 70 73.100 -7.549 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 70 73.626 -5.953 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 70 75.857 -6.858 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 70 75.337 -8.483 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 74.701 -7.062 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 70 76.181 -6.281 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 76.649 -8.197 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 77.244 -8.466 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 75.810 -9.223 -5.819 1.00 0.00 H new ATOM 1048 N GLN A 71 71.118 -7.703 -0.203 1.00 0.00 N ATOM 1049 CA GLN A 71 69.933 -8.443 0.313 1.00 0.00 C ATOM 1050 C GLN A 71 68.807 -7.465 0.642 1.00 0.00 C ATOM 1051 O GLN A 71 67.653 -7.830 0.661 1.00 0.00 O ATOM 1052 CB GLN A 71 70.328 -9.215 1.575 1.00 0.00 C ATOM 1053 CG GLN A 71 69.070 -9.699 2.303 1.00 0.00 C ATOM 1054 CD GLN A 71 68.868 -8.877 3.578 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.574 -9.062 4.550 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.929 -7.969 3.617 1.00 0.00 N ATOM 0 H GLN A 71 71.953 -7.761 0.380 1.00 0.00 H new ATOM 0 HA GLN A 71 69.585 -9.140 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.956 -10.066 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.917 -8.577 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 71 68.201 -9.601 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.165 -10.756 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.336 -7.813 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.789 -7.416 4.463 1.00 0.00 H new ATOM 1065 N LEU A 72 69.126 -6.231 0.909 1.00 0.00 N ATOM 1066 CA LEU A 72 68.054 -5.251 1.239 1.00 0.00 C ATOM 1067 C LEU A 72 67.336 -4.821 -0.039 1.00 0.00 C ATOM 1068 O LEU A 72 66.158 -4.519 -0.028 1.00 0.00 O ATOM 1069 CB LEU A 72 68.669 -4.025 1.917 1.00 0.00 C ATOM 1070 CG LEU A 72 69.165 -4.406 3.312 1.00 0.00 C ATOM 1071 CD1 LEU A 72 70.021 -3.269 3.874 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.967 -4.641 4.233 1.00 0.00 C ATOM 0 H LEU A 72 70.076 -5.859 0.913 1.00 0.00 H new ATOM 0 HA LEU A 72 67.338 -5.718 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.495 -3.642 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.930 -3.227 1.988 1.00 0.00 H new ATOM 0 HG LEU A 72 69.761 -5.317 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.376 -3.538 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.875 -3.098 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.423 -2.360 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 68.321 -4.913 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.372 -3.730 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.353 -5.448 3.833 1.00 0.00 H new ATOM 1084 N ALA A 73 68.026 -4.793 -1.144 1.00 0.00 N ATOM 1085 CA ALA A 73 67.367 -4.386 -2.416 1.00 0.00 C ATOM 1086 C ALA A 73 66.551 -5.562 -2.952 1.00 0.00 C ATOM 1087 O ALA A 73 65.395 -5.423 -3.301 1.00 0.00 O ATOM 1088 CB ALA A 73 68.430 -3.984 -3.440 1.00 0.00 C ATOM 0 H ALA A 73 69.014 -5.033 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 73 66.709 -3.536 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.945 -3.687 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 73 69.012 -3.149 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 73 69.091 -4.830 -3.630 1.00 0.00 H new ATOM 1094 N GLN A 74 67.140 -6.724 -3.007 1.00 0.00 N ATOM 1095 CA GLN A 74 66.395 -7.911 -3.505 1.00 0.00 C ATOM 1096 C GLN A 74 65.283 -8.247 -2.512 1.00 0.00 C ATOM 1097 O GLN A 74 64.225 -8.717 -2.881 1.00 0.00 O ATOM 1098 CB GLN A 74 67.353 -9.097 -3.627 1.00 0.00 C ATOM 1099 CG GLN A 74 67.931 -9.144 -5.042 1.00 0.00 C ATOM 1100 CD GLN A 74 68.025 -10.597 -5.508 1.00 0.00 C ATOM 1101 OE1 GLN A 74 67.456 -11.480 -4.899 1.00 0.00 O ATOM 1102 NE2 GLN A 74 68.726 -10.883 -6.571 1.00 0.00 N ATOM 0 H GLN A 74 68.105 -6.902 -2.728 1.00 0.00 H new ATOM 0 HA GLN A 74 65.963 -7.698 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 74 68.157 -9.005 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.828 -10.026 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.300 -8.573 -5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.918 -8.681 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 74 69.204 -10.141 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 74 68.796 -11.849 -6.891 1.00 0.00 H new ATOM 1111 N TRP A 75 65.517 -8.005 -1.251 1.00 0.00 N ATOM 1112 CA TRP A 75 64.476 -8.305 -0.229 1.00 0.00 C ATOM 1113 C TRP A 75 63.306 -7.326 -0.389 1.00 0.00 C ATOM 1114 O TRP A 75 62.159 -7.722 -0.417 1.00 0.00 O ATOM 1115 CB TRP A 75 65.093 -8.162 1.168 1.00 0.00 C ATOM 1116 CG TRP A 75 64.021 -7.988 2.194 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.965 -8.814 2.377 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.890 -6.929 3.180 1.00 0.00 C ATOM 1119 NE1 TRP A 75 62.194 -8.325 3.418 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.725 -7.164 3.945 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.667 -5.799 3.479 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 62.342 -6.304 4.974 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 64.287 -4.928 4.514 1.00 0.00 C ATOM 1124 CH2 TRP A 75 63.127 -5.181 5.261 1.00 0.00 C ATOM 0 H TRP A 75 66.384 -7.612 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 75 64.107 -9.322 -0.360 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.689 -9.044 1.401 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.768 -7.306 1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.758 -9.707 1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 75 61.339 -8.768 3.754 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.563 -5.598 2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 61.447 -6.503 5.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.891 -4.060 4.735 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.840 -4.510 6.057 1.00 0.00 H new ATOM 1135 N ILE A 76 63.583 -6.054 -0.491 1.00 0.00 N ATOM 1136 CA ILE A 76 62.478 -5.063 -0.645 1.00 0.00 C ATOM 1137 C ILE A 76 61.617 -5.443 -1.856 1.00 0.00 C ATOM 1138 O ILE A 76 60.405 -5.493 -1.775 1.00 0.00 O ATOM 1139 CB ILE A 76 63.077 -3.665 -0.846 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.500 -3.094 0.510 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.041 -2.734 -1.482 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.408 -1.883 0.291 1.00 0.00 C ATOM 0 H ILE A 76 64.523 -5.659 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 76 61.855 -5.062 0.249 1.00 0.00 H new ATOM 0 HB ILE A 76 63.942 -3.741 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.621 -2.804 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.023 -3.854 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.477 -1.745 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.737 -3.135 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.170 -2.659 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.710 -1.475 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.293 -2.188 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.869 -1.121 -0.272 1.00 0.00 H new ATOM 1154 N LEU A 77 62.230 -5.704 -2.978 1.00 0.00 N ATOM 1155 CA LEU A 77 61.445 -6.072 -4.191 1.00 0.00 C ATOM 1156 C LEU A 77 60.547 -7.273 -3.882 1.00 0.00 C ATOM 1157 O LEU A 77 59.380 -7.291 -4.222 1.00 0.00 O ATOM 1158 CB LEU A 77 62.405 -6.432 -5.329 1.00 0.00 C ATOM 1159 CG LEU A 77 63.039 -5.158 -5.887 1.00 0.00 C ATOM 1160 CD1 LEU A 77 63.917 -5.510 -7.090 1.00 0.00 C ATOM 1161 CD2 LEU A 77 61.938 -4.189 -6.326 1.00 0.00 C ATOM 0 H LEU A 77 63.241 -5.678 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 77 60.825 -5.227 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.180 -7.107 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 77 61.868 -6.959 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 77 63.650 -4.689 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.369 -4.602 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 77 64.701 -6.200 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 77 63.306 -5.980 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.390 -3.281 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.327 -4.658 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.312 -3.938 -5.470 1.00 0.00 H new ATOM 1173 N SER A 78 61.080 -8.279 -3.245 1.00 0.00 N ATOM 1174 CA SER A 78 60.257 -9.478 -2.922 1.00 0.00 C ATOM 1175 C SER A 78 59.097 -9.076 -2.010 1.00 0.00 C ATOM 1176 O SER A 78 58.016 -9.625 -2.086 1.00 0.00 O ATOM 1177 CB SER A 78 61.126 -10.514 -2.210 1.00 0.00 C ATOM 1178 OG SER A 78 61.992 -11.127 -3.154 1.00 0.00 O ATOM 0 H SER A 78 62.050 -8.322 -2.934 1.00 0.00 H new ATOM 0 HA SER A 78 59.861 -9.903 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.708 -10.037 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.498 -11.266 -1.733 1.00 0.00 H new ATOM 0 HG SER A 78 62.821 -10.608 -3.223 1.00 0.00 H new ATOM 1184 N ILE A 79 59.313 -8.125 -1.148 1.00 0.00 N ATOM 1185 CA ILE A 79 58.222 -7.693 -0.232 1.00 0.00 C ATOM 1186 C ILE A 79 57.004 -7.270 -1.055 1.00 0.00 C ATOM 1187 O ILE A 79 57.025 -6.268 -1.742 1.00 0.00 O ATOM 1188 CB ILE A 79 58.704 -6.512 0.610 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.714 -7.005 1.649 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.513 -5.877 1.325 1.00 0.00 C ATOM 1191 CD1 ILE A 79 60.025 -5.875 2.632 1.00 0.00 C ATOM 0 H ILE A 79 60.197 -7.628 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 79 57.948 -8.519 0.424 1.00 0.00 H new ATOM 0 HB ILE A 79 59.177 -5.774 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 79 59.312 -7.866 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 79 60.628 -7.334 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.856 -5.035 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.791 -5.527 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 79 57.041 -6.616 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.744 -6.225 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.445 -5.027 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 79 59.108 -5.567 3.134 1.00 0.00 H new ATOM 1203 N LYS A 80 55.943 -8.024 -0.990 1.00 0.00 N ATOM 1204 CA LYS A 80 54.727 -7.664 -1.769 1.00 0.00 C ATOM 1205 C LYS A 80 53.640 -7.169 -0.813 1.00 0.00 C ATOM 1206 O LYS A 80 53.983 -6.499 0.147 1.00 0.00 O ATOM 1207 CB LYS A 80 54.223 -8.895 -2.523 1.00 0.00 C ATOM 1208 CG LYS A 80 53.965 -10.030 -1.530 1.00 0.00 C ATOM 1209 CD LYS A 80 54.949 -11.172 -1.790 1.00 0.00 C ATOM 1210 CE LYS A 80 54.337 -12.490 -1.314 1.00 0.00 C ATOM 1211 NZ LYS A 80 55.418 -13.494 -1.108 1.00 0.00 N ATOM 1212 OXT LYS A 80 52.483 -7.469 -1.058 1.00 0.00 O ATOM 0 H LYS A 80 55.866 -8.874 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 80 54.970 -6.876 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.307 -8.654 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 80 54.958 -9.207 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 80 54.076 -9.666 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.941 -10.389 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 55.183 -11.230 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 80 55.887 -10.984 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 80 53.789 -12.334 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 80 53.621 -12.857 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 55.002 -14.391 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 55.922 -13.650 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 56.085 -13.143 -0.392 1.00 0.00 H new