USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 548 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 20 THR OG1 : rot 67:sc= -0.812! USER MOD Set 1.2: A 66 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot -116:sc= 0.666! USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.0575 USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc=-0.000589 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -179:sc= -1.73 USER MOD Single : A 12 MET CE :methyl -158:sc= -13.5! (180deg=-14.9!) USER MOD Single : A 13 THR OG1 : rot -60:sc= 0.475 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= -1.81! (180deg=-1.81!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 0.0286 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc=-0.00432 (180deg=-0.335) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0335) USER MOD Single : A 58 THR OG1 : rot 130:sc= -0.592 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -163:sc= -6.12! USER MOD Single : A 68 SER OG : rot 136:sc= -3.67! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0036) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.870 2.452 0.507 1.00 0.00 N ATOM 2 CA ALA A 1 -16.847 1.374 0.640 1.00 0.00 C ATOM 3 C ALA A 1 -15.859 1.437 -0.526 1.00 0.00 C ATOM 4 O ALA A 1 -15.662 0.474 -1.235 1.00 0.00 O ATOM 5 CB ALA A 1 -17.639 0.072 0.594 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.536 2.399 1.304 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.399 3.379 0.509 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.389 2.330 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.265 1.468 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.956 -0.773 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.354 0.052 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.174 0.005 -0.353 1.00 0.00 H new ATOM 13 N THR A 2 -15.239 2.564 -0.722 1.00 0.00 N ATOM 14 CA THR A 2 -14.270 2.726 -1.816 1.00 0.00 C ATOM 15 C THR A 2 -13.370 3.904 -1.468 1.00 0.00 C ATOM 16 O THR A 2 -13.697 5.045 -1.727 1.00 0.00 O ATOM 17 CB THR A 2 -15.104 3.049 -3.039 1.00 0.00 C ATOM 18 OG1 THR A 2 -16.401 3.472 -2.637 1.00 0.00 O ATOM 19 CG2 THR A 2 -15.216 1.812 -3.925 1.00 0.00 C ATOM 0 H THR A 2 -15.373 3.397 -0.149 1.00 0.00 H new ATOM 0 HA THR A 2 -13.649 1.846 -1.982 1.00 0.00 H new ATOM 0 HB THR A 2 -14.624 3.851 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.937 3.682 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.816 2.047 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.221 1.498 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.691 1.006 -3.366 1.00 0.00 H new ATOM 27 N GLN A 3 -12.265 3.647 -0.847 1.00 0.00 N ATOM 28 CA GLN A 3 -11.377 4.778 -0.441 1.00 0.00 C ATOM 29 C GLN A 3 -10.007 4.692 -1.113 1.00 0.00 C ATOM 30 O GLN A 3 -9.592 3.654 -1.590 1.00 0.00 O ATOM 31 CB GLN A 3 -11.231 4.658 1.081 1.00 0.00 C ATOM 32 CG GLN A 3 -12.546 4.167 1.700 1.00 0.00 C ATOM 33 CD GLN A 3 -12.844 4.961 2.972 1.00 0.00 C ATOM 34 OE1 GLN A 3 -12.140 4.842 3.956 1.00 0.00 O ATOM 35 NE2 GLN A 3 -13.867 5.770 2.996 1.00 0.00 N ATOM 0 H GLN A 3 -11.932 2.715 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.803 5.735 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.425 3.965 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.959 5.624 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.362 4.285 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.476 3.104 1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.458 5.870 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.076 6.303 3.840 1.00 0.00 H new ATOM 44 N THR A 4 -9.304 5.791 -1.137 1.00 0.00 N ATOM 45 CA THR A 4 -7.951 5.818 -1.758 1.00 0.00 C ATOM 46 C THR A 4 -7.004 6.628 -0.869 1.00 0.00 C ATOM 47 O THR A 4 -7.253 7.780 -0.571 1.00 0.00 O ATOM 48 CB THR A 4 -8.150 6.514 -3.104 1.00 0.00 C ATOM 49 OG1 THR A 4 -9.034 5.744 -3.906 1.00 0.00 O ATOM 50 CG2 THR A 4 -6.803 6.657 -3.813 1.00 0.00 C ATOM 0 H THR A 4 -9.614 6.681 -0.748 1.00 0.00 H new ATOM 0 HA THR A 4 -7.519 4.825 -1.878 1.00 0.00 H new ATOM 0 HB THR A 4 -8.576 7.504 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.559 5.422 -4.700 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.948 7.154 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.128 7.250 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.372 5.670 -3.977 1.00 0.00 H new ATOM 58 N VAL A 5 -5.930 6.037 -0.435 1.00 0.00 N ATOM 59 CA VAL A 5 -4.979 6.774 0.445 1.00 0.00 C ATOM 60 C VAL A 5 -3.548 6.579 -0.040 1.00 0.00 C ATOM 61 O VAL A 5 -3.282 5.822 -0.950 1.00 0.00 O ATOM 62 CB VAL A 5 -5.162 6.148 1.827 1.00 0.00 C ATOM 63 CG1 VAL A 5 -6.593 6.388 2.309 1.00 0.00 C ATOM 64 CG2 VAL A 5 -4.902 4.642 1.745 1.00 0.00 C ATOM 0 H VAL A 5 -5.667 5.075 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.168 7.848 0.450 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.459 6.602 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.725 5.942 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.782 7.460 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.294 5.934 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.033 4.196 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.605 4.189 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.883 4.467 1.400 1.00 0.00 H new ATOM 74 N THR A 6 -2.627 7.250 0.576 1.00 0.00 N ATOM 75 CA THR A 6 -1.211 7.112 0.189 1.00 0.00 C ATOM 76 C THR A 6 -0.511 6.318 1.279 1.00 0.00 C ATOM 77 O THR A 6 -1.036 6.163 2.363 1.00 0.00 O ATOM 78 CB THR A 6 -0.689 8.543 0.136 1.00 0.00 C ATOM 79 OG1 THR A 6 -1.404 9.340 1.072 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.885 9.105 -1.268 1.00 0.00 C ATOM 0 H THR A 6 -2.801 7.898 1.344 1.00 0.00 H new ATOM 0 HA THR A 6 -1.053 6.600 -0.760 1.00 0.00 H new ATOM 0 HB THR A 6 0.372 8.554 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.080 10.264 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.512 10.128 -1.306 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.338 8.493 -1.985 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.946 9.096 -1.519 1.00 0.00 H new ATOM 88 N LEU A 7 0.648 5.795 1.024 1.00 0.00 N ATOM 89 CA LEU A 7 1.309 4.999 2.087 1.00 0.00 C ATOM 90 C LEU A 7 2.788 5.349 2.213 1.00 0.00 C ATOM 91 O LEU A 7 3.472 5.605 1.242 1.00 0.00 O ATOM 92 CB LEU A 7 1.131 3.542 1.657 1.00 0.00 C ATOM 93 CG LEU A 7 0.198 2.843 2.641 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.086 3.648 2.785 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.146 1.441 2.134 1.00 0.00 C ATOM 0 H LEU A 7 1.159 5.880 0.145 1.00 0.00 H new ATOM 0 HA LEU A 7 0.873 5.198 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.719 3.495 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.097 3.037 1.630 1.00 0.00 H new ATOM 0 HG LEU A 7 0.698 2.766 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.752 3.148 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.850 4.646 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.576 3.728 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.812 0.951 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.639 1.515 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.768 0.857 2.032 1.00 0.00 H new ATOM 107 N ALA A 8 3.276 5.340 3.417 1.00 0.00 N ATOM 108 CA ALA A 8 4.717 5.649 3.656 1.00 0.00 C ATOM 109 C ALA A 8 5.412 4.395 4.189 1.00 0.00 C ATOM 110 O ALA A 8 5.309 4.068 5.353 1.00 0.00 O ATOM 111 CB ALA A 8 4.720 6.759 4.708 1.00 0.00 C ATOM 0 H ALA A 8 2.737 5.130 4.257 1.00 0.00 H new ATOM 0 HA ALA A 8 5.242 5.959 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.748 7.041 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.183 7.626 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.231 6.402 5.615 1.00 0.00 H new ATOM 117 N VAL A 9 6.094 3.673 3.344 1.00 0.00 N ATOM 118 CA VAL A 9 6.757 2.419 3.813 1.00 0.00 C ATOM 119 C VAL A 9 8.288 2.535 3.786 1.00 0.00 C ATOM 120 O VAL A 9 8.922 2.042 2.880 1.00 0.00 O ATOM 121 CB VAL A 9 6.281 1.359 2.822 1.00 0.00 C ATOM 122 CG1 VAL A 9 6.659 1.780 1.401 1.00 0.00 C ATOM 123 CG2 VAL A 9 6.941 0.022 3.149 1.00 0.00 C ATOM 0 H VAL A 9 6.222 3.893 2.356 1.00 0.00 H new ATOM 0 HA VAL A 9 6.502 2.186 4.847 1.00 0.00 H new ATOM 0 HB VAL A 9 5.198 1.257 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.319 1.023 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.186 2.734 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.742 1.884 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.601 -0.734 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.024 0.124 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.670 -0.280 4.161 1.00 0.00 H new ATOM 133 N PRO A 10 8.838 3.169 4.793 1.00 0.00 N ATOM 134 CA PRO A 10 10.312 3.332 4.883 1.00 0.00 C ATOM 135 C PRO A 10 11.006 1.985 5.141 1.00 0.00 C ATOM 136 O PRO A 10 12.215 1.909 5.220 1.00 0.00 O ATOM 137 CB PRO A 10 10.468 4.259 6.092 1.00 0.00 C ATOM 138 CG PRO A 10 9.092 4.426 6.766 1.00 0.00 C ATOM 139 CD PRO A 10 8.028 3.760 5.884 1.00 0.00 C ATOM 0 HA PRO A 10 10.760 3.720 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.187 3.842 6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.855 5.228 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.099 3.972 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.863 5.483 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.466 3.001 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.304 4.482 5.506 1.00 0.00 H new ATOM 147 N GLY A 11 10.255 0.924 5.283 1.00 0.00 N ATOM 148 CA GLY A 11 10.880 -0.405 5.547 1.00 0.00 C ATOM 149 C GLY A 11 12.041 -0.647 4.579 1.00 0.00 C ATOM 150 O GLY A 11 12.962 -1.382 4.875 1.00 0.00 O ATOM 0 H GLY A 11 9.237 0.921 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.240 -0.448 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.135 -1.193 5.437 1.00 0.00 H new ATOM 154 N MET A 12 12.006 -0.043 3.425 1.00 0.00 N ATOM 155 CA MET A 12 13.112 -0.252 2.444 1.00 0.00 C ATOM 156 C MET A 12 13.308 1.006 1.591 1.00 0.00 C ATOM 157 O MET A 12 12.816 2.067 1.919 1.00 0.00 O ATOM 158 CB MET A 12 12.661 -1.432 1.577 1.00 0.00 C ATOM 159 CG MET A 12 11.180 -1.287 1.222 1.00 0.00 C ATOM 160 SD MET A 12 10.986 0.040 0.011 1.00 0.00 S ATOM 161 CE MET A 12 9.523 0.796 0.746 1.00 0.00 C ATOM 0 H MET A 12 11.263 0.585 3.117 1.00 0.00 H new ATOM 0 HA MET A 12 14.065 -0.452 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.259 -1.474 0.667 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.825 -2.369 2.110 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.797 -2.224 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.599 -1.066 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.995 1.376 -0.010 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.865 0.017 1.131 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.824 1.452 1.563 1.00 0.00 H new ATOM 171 N THR A 13 14.022 0.900 0.499 1.00 0.00 N ATOM 172 CA THR A 13 14.240 2.102 -0.361 1.00 0.00 C ATOM 173 C THR A 13 15.095 1.756 -1.587 1.00 0.00 C ATOM 174 O THR A 13 16.211 2.215 -1.720 1.00 0.00 O ATOM 175 CB THR A 13 14.982 3.094 0.535 1.00 0.00 C ATOM 176 OG1 THR A 13 15.311 4.253 -0.217 1.00 0.00 O ATOM 177 CG2 THR A 13 16.261 2.446 1.064 1.00 0.00 C ATOM 0 H THR A 13 14.460 0.040 0.168 1.00 0.00 H new ATOM 0 HA THR A 13 13.300 2.502 -0.741 1.00 0.00 H new ATOM 0 HB THR A 13 14.346 3.374 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.884 4.002 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.790 3.153 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.007 1.556 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.900 2.165 0.227 1.00 0.00 H new ATOM 185 N CYS A 14 14.579 0.966 -2.491 1.00 0.00 N ATOM 186 CA CYS A 14 15.365 0.615 -3.708 1.00 0.00 C ATOM 187 C CYS A 14 14.434 -0.020 -4.748 1.00 0.00 C ATOM 188 O CYS A 14 13.263 -0.211 -4.502 1.00 0.00 O ATOM 189 CB CYS A 14 16.466 -0.350 -3.208 1.00 0.00 C ATOM 190 SG CYS A 14 16.255 -2.032 -3.866 1.00 0.00 S ATOM 0 H CYS A 14 13.649 0.550 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 14 15.818 1.475 -4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 14 17.443 0.033 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.450 -0.383 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 14 17.206 -2.796 -3.416 1.00 0.00 H new ATOM 195 N ALA A 15 14.941 -0.344 -5.904 1.00 0.00 N ATOM 196 CA ALA A 15 14.072 -0.962 -6.947 1.00 0.00 C ATOM 197 C ALA A 15 13.860 -2.447 -6.642 1.00 0.00 C ATOM 198 O ALA A 15 14.432 -3.308 -7.280 1.00 0.00 O ATOM 199 CB ALA A 15 14.840 -0.788 -8.258 1.00 0.00 C ATOM 0 H ALA A 15 15.916 -0.209 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 15 13.085 -0.501 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.264 -1.219 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.001 0.273 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.803 -1.294 -8.186 1.00 0.00 H new ATOM 205 N ALA A 16 13.046 -2.757 -5.668 1.00 0.00 N ATOM 206 CA ALA A 16 12.810 -4.188 -5.331 1.00 0.00 C ATOM 207 C ALA A 16 11.843 -4.332 -4.148 1.00 0.00 C ATOM 208 O ALA A 16 10.904 -5.094 -4.204 1.00 0.00 O ATOM 209 CB ALA A 16 14.189 -4.734 -4.960 1.00 0.00 C ATOM 0 H ALA A 16 12.537 -2.084 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 16 12.355 -4.727 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.104 -5.788 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.864 -4.625 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.583 -4.178 -4.109 1.00 0.00 H new ATOM 215 N CYS A 17 12.081 -3.634 -3.066 1.00 0.00 N ATOM 216 CA CYS A 17 11.184 -3.774 -1.874 1.00 0.00 C ATOM 217 C CYS A 17 10.004 -2.789 -1.895 1.00 0.00 C ATOM 218 O CYS A 17 8.900 -3.178 -1.573 1.00 0.00 O ATOM 219 CB CYS A 17 12.079 -3.516 -0.660 1.00 0.00 C ATOM 220 SG CYS A 17 13.639 -4.416 -0.850 1.00 0.00 S ATOM 0 H CYS A 17 12.853 -2.976 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 17 10.728 -4.764 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.274 -2.448 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.573 -3.834 0.251 1.00 0.00 H new ATOM 0 HG CYS A 17 14.397 -4.193 0.182 1.00 0.00 H new ATOM 225 N PRO A 18 10.233 -1.548 -2.256 1.00 0.00 N ATOM 226 CA PRO A 18 9.113 -0.584 -2.274 1.00 0.00 C ATOM 227 C PRO A 18 8.122 -1.028 -3.342 1.00 0.00 C ATOM 228 O PRO A 18 6.926 -1.015 -3.142 1.00 0.00 O ATOM 229 CB PRO A 18 9.799 0.734 -2.620 1.00 0.00 C ATOM 230 CG PRO A 18 11.265 0.433 -2.985 1.00 0.00 C ATOM 231 CD PRO A 18 11.563 -1.044 -2.669 1.00 0.00 C ATOM 0 HA PRO A 18 8.548 -0.503 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.292 1.219 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.751 1.421 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.440 0.635 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.935 1.082 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.949 -1.577 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.303 -1.150 -1.876 1.00 0.00 H new ATOM 239 N ILE A 19 8.619 -1.462 -4.466 1.00 0.00 N ATOM 240 CA ILE A 19 7.706 -1.965 -5.530 1.00 0.00 C ATOM 241 C ILE A 19 6.934 -3.178 -4.986 1.00 0.00 C ATOM 242 O ILE A 19 5.821 -3.464 -5.395 1.00 0.00 O ATOM 243 CB ILE A 19 8.624 -2.392 -6.676 1.00 0.00 C ATOM 244 CG1 ILE A 19 9.176 -1.152 -7.379 1.00 0.00 C ATOM 245 CG2 ILE A 19 7.834 -3.236 -7.677 1.00 0.00 C ATOM 246 CD1 ILE A 19 10.686 -1.304 -7.571 1.00 0.00 C ATOM 0 H ILE A 19 9.613 -1.490 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 19 6.980 -1.219 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 19 9.450 -2.981 -6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.687 -1.020 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.962 -0.261 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.489 -3.540 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.442 -4.122 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.007 -2.649 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.080 -0.420 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.167 -1.415 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.889 -2.186 -8.179 1.00 0.00 H new ATOM 258 N THR A 20 7.513 -3.886 -4.045 1.00 0.00 N ATOM 259 CA THR A 20 6.815 -5.061 -3.460 1.00 0.00 C ATOM 260 C THR A 20 5.608 -4.563 -2.687 1.00 0.00 C ATOM 261 O THR A 20 4.606 -5.239 -2.559 1.00 0.00 O ATOM 262 CB THR A 20 7.827 -5.717 -2.516 1.00 0.00 C ATOM 263 OG1 THR A 20 9.036 -5.957 -3.216 1.00 0.00 O ATOM 264 CG2 THR A 20 7.264 -7.044 -2.012 1.00 0.00 C ATOM 0 H THR A 20 8.439 -3.696 -3.661 1.00 0.00 H new ATOM 0 HA THR A 20 6.471 -5.770 -4.213 1.00 0.00 H new ATOM 0 HB THR A 20 8.018 -5.056 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.456 -5.102 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.983 -7.512 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.331 -6.864 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.075 -7.704 -2.859 1.00 0.00 H new ATOM 272 N VAL A 21 5.693 -3.362 -2.195 1.00 0.00 N ATOM 273 CA VAL A 21 4.553 -2.789 -1.458 1.00 0.00 C ATOM 274 C VAL A 21 3.404 -2.644 -2.436 1.00 0.00 C ATOM 275 O VAL A 21 2.252 -2.794 -2.090 1.00 0.00 O ATOM 276 CB VAL A 21 5.023 -1.419 -0.968 1.00 0.00 C ATOM 277 CG1 VAL A 21 3.875 -0.717 -0.240 1.00 0.00 C ATOM 278 CG2 VAL A 21 6.204 -1.593 -0.011 1.00 0.00 C ATOM 0 H VAL A 21 6.509 -2.755 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 21 4.224 -3.402 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 21 5.335 -0.817 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.209 0.260 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.035 -0.590 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.562 -1.320 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.537 -0.615 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.895 -2.196 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.022 -2.092 -0.530 1.00 0.00 H new ATOM 288 N LYS A 22 3.724 -2.389 -3.677 1.00 0.00 N ATOM 289 CA LYS A 22 2.665 -2.267 -4.699 1.00 0.00 C ATOM 290 C LYS A 22 2.006 -3.623 -4.834 1.00 0.00 C ATOM 291 O LYS A 22 0.804 -3.743 -4.965 1.00 0.00 O ATOM 292 CB LYS A 22 3.384 -1.882 -5.994 1.00 0.00 C ATOM 293 CG LYS A 22 2.364 -1.367 -7.013 1.00 0.00 C ATOM 294 CD LYS A 22 3.089 -0.926 -8.286 1.00 0.00 C ATOM 295 CE LYS A 22 2.222 -1.246 -9.506 1.00 0.00 C ATOM 296 NZ LYS A 22 2.901 -2.391 -10.174 1.00 0.00 N ATOM 0 H LYS A 22 4.676 -2.261 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 22 1.902 -1.529 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.132 -1.115 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.914 -2.745 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.641 -2.149 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.805 -0.531 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.298 0.143 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.049 -1.436 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.206 -1.508 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.148 -0.387 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.364 -2.667 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.863 -2.110 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.951 -3.196 -9.518 1.00 0.00 H new ATOM 310 N LYS A 23 2.799 -4.655 -4.780 1.00 0.00 N ATOM 311 CA LYS A 23 2.235 -6.019 -4.878 1.00 0.00 C ATOM 312 C LYS A 23 1.426 -6.319 -3.616 1.00 0.00 C ATOM 313 O LYS A 23 0.522 -7.131 -3.611 1.00 0.00 O ATOM 314 CB LYS A 23 3.450 -6.947 -5.000 1.00 0.00 C ATOM 315 CG LYS A 23 3.083 -8.359 -4.531 1.00 0.00 C ATOM 316 CD LYS A 23 3.615 -8.580 -3.113 1.00 0.00 C ATOM 317 CE LYS A 23 3.253 -9.990 -2.644 1.00 0.00 C ATOM 318 NZ LYS A 23 2.795 -9.821 -1.237 1.00 0.00 N ATOM 0 H LYS A 23 3.812 -4.608 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 23 1.562 -6.145 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.793 -6.976 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.275 -6.560 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.001 -8.490 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.506 -9.100 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.697 -8.446 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.190 -7.840 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.469 -10.424 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.112 -10.658 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.529 -10.747 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.564 -9.413 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.972 -9.185 -1.214 1.00 0.00 H new ATOM 332 N ALA A 24 1.754 -5.655 -2.548 1.00 0.00 N ATOM 333 CA ALA A 24 1.031 -5.869 -1.269 1.00 0.00 C ATOM 334 C ALA A 24 -0.385 -5.292 -1.350 1.00 0.00 C ATOM 335 O ALA A 24 -1.360 -5.986 -1.135 1.00 0.00 O ATOM 336 CB ALA A 24 1.856 -5.122 -0.222 1.00 0.00 C ATOM 0 H ALA A 24 2.503 -4.964 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 24 0.924 -6.927 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.387 -5.231 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.864 -5.536 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.906 -4.065 -0.485 1.00 0.00 H new ATOM 342 N LEU A 25 -0.510 -4.029 -1.663 1.00 0.00 N ATOM 343 CA LEU A 25 -1.871 -3.422 -1.759 1.00 0.00 C ATOM 344 C LEU A 25 -2.669 -4.127 -2.851 1.00 0.00 C ATOM 345 O LEU A 25 -3.874 -4.243 -2.780 1.00 0.00 O ATOM 346 CB LEU A 25 -1.652 -1.958 -2.139 1.00 0.00 C ATOM 347 CG LEU A 25 -0.519 -1.364 -1.309 1.00 0.00 C ATOM 348 CD1 LEU A 25 0.587 -0.895 -2.250 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.045 -0.172 -0.507 1.00 0.00 C ATOM 0 H LEU A 25 0.265 -3.395 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.423 -3.515 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.414 -1.881 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.568 -1.391 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.129 -2.115 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.403 -0.468 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.957 -1.742 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.191 -0.139 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.235 0.253 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.430 0.585 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.845 -0.503 0.155 1.00 0.00 H new ATOM 361 N SER A 26 -1.999 -4.607 -3.859 1.00 0.00 N ATOM 362 CA SER A 26 -2.715 -5.316 -4.951 1.00 0.00 C ATOM 363 C SER A 26 -3.164 -6.677 -4.436 1.00 0.00 C ATOM 364 O SER A 26 -4.119 -7.255 -4.914 1.00 0.00 O ATOM 365 CB SER A 26 -1.689 -5.469 -6.073 1.00 0.00 C ATOM 366 OG SER A 26 -2.360 -5.816 -7.278 1.00 0.00 O ATOM 0 H SER A 26 -0.988 -4.539 -3.973 1.00 0.00 H new ATOM 0 HA SER A 26 -3.600 -4.784 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.136 -4.539 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.961 -6.238 -5.814 1.00 0.00 H new ATOM 0 HG SER A 26 -1.705 -5.914 -8.001 1.00 0.00 H new ATOM 372 N LYS A 27 -2.477 -7.190 -3.454 1.00 0.00 N ATOM 373 CA LYS A 27 -2.853 -8.507 -2.893 1.00 0.00 C ATOM 374 C LYS A 27 -3.474 -8.318 -1.499 1.00 0.00 C ATOM 375 O LYS A 27 -3.738 -9.268 -0.790 1.00 0.00 O ATOM 376 CB LYS A 27 -1.524 -9.276 -2.833 1.00 0.00 C ATOM 377 CG LYS A 27 -1.504 -10.243 -1.648 1.00 0.00 C ATOM 378 CD LYS A 27 -1.144 -9.478 -0.372 1.00 0.00 C ATOM 379 CE LYS A 27 0.068 -10.138 0.290 1.00 0.00 C ATOM 380 NZ LYS A 27 -0.500 -11.233 1.123 1.00 0.00 N ATOM 0 H LYS A 27 -1.668 -6.748 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.598 -9.041 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.377 -9.829 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.696 -8.572 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.478 -10.719 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.779 -11.038 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.921 -8.438 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.991 -9.475 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.762 -10.528 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.622 -9.425 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.112 -11.174 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.535 -11.140 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.250 -12.152 0.705 1.00 0.00 H new ATOM 394 N VAL A 28 -3.705 -7.097 -1.099 1.00 0.00 N ATOM 395 CA VAL A 28 -4.296 -6.858 0.250 1.00 0.00 C ATOM 396 C VAL A 28 -5.690 -7.493 0.364 1.00 0.00 C ATOM 397 O VAL A 28 -5.971 -8.192 1.315 1.00 0.00 O ATOM 398 CB VAL A 28 -4.368 -5.336 0.401 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.375 -4.759 -0.592 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.805 -4.989 1.825 1.00 0.00 C ATOM 0 H VAL A 28 -3.511 -6.257 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.694 -7.311 1.038 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.385 -4.910 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.419 -3.676 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.065 -5.004 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.360 -5.185 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.857 -3.906 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.786 -5.421 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.083 -5.392 2.535 1.00 0.00 H new ATOM 410 N GLU A 29 -6.564 -7.266 -0.591 1.00 0.00 N ATOM 411 CA GLU A 29 -7.932 -7.867 -0.519 1.00 0.00 C ATOM 412 C GLU A 29 -8.885 -7.200 -1.518 1.00 0.00 C ATOM 413 O GLU A 29 -9.102 -7.688 -2.609 1.00 0.00 O ATOM 414 CB GLU A 29 -8.419 -7.605 0.906 1.00 0.00 C ATOM 415 CG GLU A 29 -8.385 -8.909 1.697 1.00 0.00 C ATOM 416 CD GLU A 29 -9.739 -9.136 2.373 1.00 0.00 C ATOM 417 OE1 GLU A 29 -10.735 -9.157 1.669 1.00 0.00 O ATOM 418 OE2 GLU A 29 -9.756 -9.283 3.584 1.00 0.00 O ATOM 0 H GLU A 29 -6.387 -6.691 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.905 -8.929 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.788 -6.858 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.432 -7.203 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.154 -9.742 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.595 -8.871 2.447 1.00 0.00 H new ATOM 425 N GLY A 30 -9.479 -6.100 -1.136 1.00 0.00 N ATOM 426 CA GLY A 30 -10.447 -5.413 -2.041 1.00 0.00 C ATOM 427 C GLY A 30 -9.746 -4.359 -2.900 1.00 0.00 C ATOM 428 O GLY A 30 -10.384 -3.639 -3.641 1.00 0.00 O ATOM 0 H GLY A 30 -9.335 -5.647 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.932 -6.147 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.231 -4.941 -1.449 1.00 0.00 H new ATOM 432 N VAL A 31 -8.448 -4.260 -2.815 1.00 0.00 N ATOM 433 CA VAL A 31 -7.724 -3.247 -3.643 1.00 0.00 C ATOM 434 C VAL A 31 -8.314 -3.197 -5.046 1.00 0.00 C ATOM 435 O VAL A 31 -8.471 -4.204 -5.708 1.00 0.00 O ATOM 436 CB VAL A 31 -6.278 -3.727 -3.693 1.00 0.00 C ATOM 437 CG1 VAL A 31 -6.191 -4.994 -4.543 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.402 -2.636 -4.312 1.00 0.00 C ATOM 0 H VAL A 31 -7.857 -4.832 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.804 -2.244 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.931 -3.943 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.157 -5.338 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.816 -5.771 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.537 -4.778 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.367 -2.977 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.749 -2.420 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.465 -1.732 -3.706 1.00 0.00 H new ATOM 448 N SER A 32 -8.634 -2.026 -5.503 1.00 0.00 N ATOM 449 CA SER A 32 -9.207 -1.888 -6.865 1.00 0.00 C ATOM 450 C SER A 32 -8.178 -1.226 -7.770 1.00 0.00 C ATOM 451 O SER A 32 -8.271 -1.270 -8.981 1.00 0.00 O ATOM 452 CB SER A 32 -10.437 -0.998 -6.698 1.00 0.00 C ATOM 453 OG SER A 32 -11.548 -1.606 -7.343 1.00 0.00 O ATOM 0 H SER A 32 -8.523 -1.152 -4.989 1.00 0.00 H new ATOM 0 HA SER A 32 -9.473 -2.846 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.652 -0.850 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.248 -0.013 -7.125 1.00 0.00 H new ATOM 0 HG SER A 32 -12.339 -1.038 -7.236 1.00 0.00 H new ATOM 459 N LYS A 33 -7.190 -0.619 -7.182 1.00 0.00 N ATOM 460 CA LYS A 33 -6.138 0.045 -7.999 1.00 0.00 C ATOM 461 C LYS A 33 -4.890 0.282 -7.140 1.00 0.00 C ATOM 462 O LYS A 33 -4.961 0.344 -5.930 1.00 0.00 O ATOM 463 CB LYS A 33 -6.781 1.359 -8.463 1.00 0.00 C ATOM 464 CG LYS A 33 -5.709 2.422 -8.714 1.00 0.00 C ATOM 465 CD LYS A 33 -6.069 3.220 -9.969 1.00 0.00 C ATOM 466 CE LYS A 33 -4.973 3.036 -11.022 1.00 0.00 C ATOM 467 NZ LYS A 33 -5.072 1.608 -11.443 1.00 0.00 N ATOM 0 H LYS A 33 -7.064 -0.553 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.809 -0.551 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.353 1.188 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.483 1.713 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.634 3.089 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.734 1.950 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.028 2.884 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.178 4.276 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.123 3.707 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.989 3.258 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.688 1.502 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.528 1.014 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.069 1.312 -11.434 1.00 0.00 H new ATOM 481 N VAL A 34 -3.747 0.397 -7.756 1.00 0.00 N ATOM 482 CA VAL A 34 -2.497 0.610 -6.971 1.00 0.00 C ATOM 483 C VAL A 34 -1.471 1.407 -7.783 1.00 0.00 C ATOM 484 O VAL A 34 -1.367 1.267 -8.986 1.00 0.00 O ATOM 485 CB VAL A 34 -1.971 -0.797 -6.686 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.726 -0.711 -5.801 1.00 0.00 C ATOM 487 CG2 VAL A 34 -3.051 -1.609 -5.969 1.00 0.00 C ATOM 0 H VAL A 34 -3.623 0.353 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.681 1.179 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.713 -1.284 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.353 -1.715 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.044 -0.134 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.981 -0.223 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.677 -2.612 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.310 -1.121 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.937 -1.673 -6.600 1.00 0.00 H new ATOM 497 N ASP A 35 -0.706 2.233 -7.125 1.00 0.00 N ATOM 498 CA ASP A 35 0.328 3.038 -7.835 1.00 0.00 C ATOM 499 C ASP A 35 1.335 3.555 -6.811 1.00 0.00 C ATOM 500 O ASP A 35 1.139 4.583 -6.198 1.00 0.00 O ATOM 501 CB ASP A 35 -0.434 4.196 -8.481 1.00 0.00 C ATOM 502 CG ASP A 35 -0.348 4.076 -10.003 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.770 3.055 -10.522 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.140 5.005 -10.625 1.00 0.00 O ATOM 0 H ASP A 35 -0.753 2.386 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 35 0.877 2.465 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.476 4.182 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.014 5.148 -8.156 1.00 0.00 H new ATOM 509 N VAL A 36 2.401 2.839 -6.597 1.00 0.00 N ATOM 510 CA VAL A 36 3.391 3.288 -5.581 1.00 0.00 C ATOM 511 C VAL A 36 4.671 3.792 -6.243 1.00 0.00 C ATOM 512 O VAL A 36 4.716 4.065 -7.426 1.00 0.00 O ATOM 513 CB VAL A 36 3.685 2.041 -4.734 1.00 0.00 C ATOM 514 CG1 VAL A 36 2.385 1.277 -4.467 1.00 0.00 C ATOM 515 CG2 VAL A 36 4.666 1.128 -5.477 1.00 0.00 C ATOM 0 H VAL A 36 2.629 1.969 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 36 3.006 4.115 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 36 4.125 2.352 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.599 0.393 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.688 1.921 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.941 0.972 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.871 0.245 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.230 0.823 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.596 1.666 -5.661 1.00 0.00 H new ATOM 525 N GLY A 37 5.711 3.906 -5.473 1.00 0.00 N ATOM 526 CA GLY A 37 7.008 4.381 -6.013 1.00 0.00 C ATOM 527 C GLY A 37 8.121 3.573 -5.355 1.00 0.00 C ATOM 528 O GLY A 37 8.268 3.584 -4.147 1.00 0.00 O ATOM 0 H GLY A 37 5.717 3.687 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.037 4.258 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.138 5.444 -5.810 1.00 0.00 H new ATOM 532 N PHE A 38 8.878 2.857 -6.146 1.00 0.00 N ATOM 533 CA PHE A 38 9.982 2.011 -5.606 1.00 0.00 C ATOM 534 C PHE A 38 10.859 2.780 -4.595 1.00 0.00 C ATOM 535 O PHE A 38 10.403 3.176 -3.542 1.00 0.00 O ATOM 536 CB PHE A 38 10.782 1.594 -6.847 1.00 0.00 C ATOM 537 CG PHE A 38 11.215 2.802 -7.660 1.00 0.00 C ATOM 538 CD1 PHE A 38 10.972 4.110 -7.208 1.00 0.00 C ATOM 539 CD2 PHE A 38 11.871 2.602 -8.882 1.00 0.00 C ATOM 540 CE1 PHE A 38 11.385 5.205 -7.977 1.00 0.00 C ATOM 541 CE2 PHE A 38 12.282 3.698 -9.649 1.00 0.00 C ATOM 542 CZ PHE A 38 12.039 4.999 -9.196 1.00 0.00 C ATOM 0 H PHE A 38 8.775 2.823 -7.160 1.00 0.00 H new ATOM 0 HA PHE A 38 9.604 1.154 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 38 11.660 1.026 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.176 0.934 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.467 4.271 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 38 12.060 1.598 -9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 38 11.198 6.210 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.787 3.539 -10.591 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.357 5.845 -9.788 1.00 0.00 H new ATOM 552 N GLU A 39 12.120 2.964 -4.896 1.00 0.00 N ATOM 553 CA GLU A 39 13.039 3.685 -3.958 1.00 0.00 C ATOM 554 C GLU A 39 12.314 4.821 -3.220 1.00 0.00 C ATOM 555 O GLU A 39 12.674 5.178 -2.116 1.00 0.00 O ATOM 556 CB GLU A 39 14.141 4.253 -4.854 1.00 0.00 C ATOM 557 CG GLU A 39 15.136 5.050 -4.006 1.00 0.00 C ATOM 558 CD GLU A 39 16.564 4.665 -4.397 1.00 0.00 C ATOM 559 OE1 GLU A 39 16.801 3.488 -4.619 1.00 0.00 O ATOM 560 OE2 GLU A 39 17.398 5.554 -4.469 1.00 0.00 O ATOM 0 H GLU A 39 12.558 2.643 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 39 13.424 3.020 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.656 3.443 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.706 4.895 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.983 6.119 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.971 4.849 -2.948 1.00 0.00 H new ATOM 567 N LYS A 40 11.297 5.392 -3.812 1.00 0.00 N ATOM 568 CA LYS A 40 10.560 6.501 -3.129 1.00 0.00 C ATOM 569 C LYS A 40 9.514 5.943 -2.150 1.00 0.00 C ATOM 570 O LYS A 40 8.495 6.561 -1.922 1.00 0.00 O ATOM 571 CB LYS A 40 9.872 7.270 -4.259 1.00 0.00 C ATOM 572 CG LYS A 40 10.304 8.737 -4.216 1.00 0.00 C ATOM 573 CD LYS A 40 10.004 9.397 -5.563 1.00 0.00 C ATOM 574 CE LYS A 40 8.801 10.330 -5.417 1.00 0.00 C ATOM 575 NZ LYS A 40 7.765 9.767 -6.326 1.00 0.00 N ATOM 0 H LYS A 40 10.945 5.141 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 40 11.229 7.132 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.132 6.832 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.789 7.196 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.777 9.259 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.369 8.807 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.873 9.958 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.798 8.636 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.448 10.360 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.058 11.352 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.908 10.354 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.127 9.757 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.536 8.796 -6.032 1.00 0.00 H new ATOM 589 N ARG A 41 9.779 4.786 -1.577 1.00 0.00 N ATOM 590 CA ARG A 41 8.840 4.135 -0.597 1.00 0.00 C ATOM 591 C ARG A 41 7.511 4.877 -0.464 1.00 0.00 C ATOM 592 O ARG A 41 7.208 5.452 0.559 1.00 0.00 O ATOM 593 CB ARG A 41 9.584 4.158 0.734 1.00 0.00 C ATOM 594 CG ARG A 41 9.630 5.587 1.288 1.00 0.00 C ATOM 595 CD ARG A 41 8.813 5.665 2.585 1.00 0.00 C ATOM 596 NE ARG A 41 9.620 6.523 3.496 1.00 0.00 N ATOM 597 CZ ARG A 41 9.092 6.983 4.598 1.00 0.00 C ATOM 598 NH1 ARG A 41 7.855 6.698 4.903 1.00 0.00 N ATOM 599 NH2 ARG A 41 9.803 7.732 5.396 1.00 0.00 N ATOM 0 H ARG A 41 10.630 4.252 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 41 8.580 3.130 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.089 3.499 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.597 3.779 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.662 5.880 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.231 6.286 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.828 6.096 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.655 4.675 3.012 1.00 0.00 H new ATOM 0 HE ARG A 41 10.585 6.751 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.298 6.114 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.446 7.059 5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.769 7.957 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.393 8.092 6.257 1.00 0.00 H new ATOM 613 N GLU A 42 6.707 4.866 -1.478 1.00 0.00 N ATOM 614 CA GLU A 42 5.399 5.580 -1.365 1.00 0.00 C ATOM 615 C GLU A 42 4.314 4.843 -2.152 1.00 0.00 C ATOM 616 O GLU A 42 4.358 4.771 -3.362 1.00 0.00 O ATOM 617 CB GLU A 42 5.653 6.965 -1.962 1.00 0.00 C ATOM 618 CG GLU A 42 4.438 7.860 -1.714 1.00 0.00 C ATOM 619 CD GLU A 42 4.888 9.320 -1.635 1.00 0.00 C ATOM 620 OE1 GLU A 42 5.525 9.671 -0.656 1.00 0.00 O ATOM 621 OE2 GLU A 42 4.587 10.062 -2.555 1.00 0.00 O ATOM 0 H GLU A 42 6.886 4.405 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 42 5.050 5.637 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.542 7.408 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.844 6.882 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.711 7.735 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.943 7.570 -0.787 1.00 0.00 H new ATOM 628 N ALA A 43 3.341 4.282 -1.481 1.00 0.00 N ATOM 629 CA ALA A 43 2.281 3.542 -2.220 1.00 0.00 C ATOM 630 C ALA A 43 0.932 4.268 -2.168 1.00 0.00 C ATOM 631 O ALA A 43 0.359 4.466 -1.119 1.00 0.00 O ATOM 632 CB ALA A 43 2.183 2.193 -1.508 1.00 0.00 C ATOM 0 H ALA A 43 3.237 4.304 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 43 2.528 3.449 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.421 1.581 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.145 1.683 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.913 2.351 -0.464 1.00 0.00 H new ATOM 638 N VAL A 44 0.395 4.618 -3.303 1.00 0.00 N ATOM 639 CA VAL A 44 -0.940 5.277 -3.318 1.00 0.00 C ATOM 640 C VAL A 44 -1.928 4.260 -3.878 1.00 0.00 C ATOM 641 O VAL A 44 -1.799 3.812 -5.001 1.00 0.00 O ATOM 642 CB VAL A 44 -0.791 6.520 -4.218 1.00 0.00 C ATOM 643 CG1 VAL A 44 -1.257 6.229 -5.651 1.00 0.00 C ATOM 644 CG2 VAL A 44 -1.636 7.657 -3.641 1.00 0.00 C ATOM 0 H VAL A 44 0.822 4.477 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.299 5.593 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 44 0.262 6.799 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.139 7.125 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.657 5.422 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.306 5.933 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.536 8.540 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.682 7.352 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.293 7.890 -2.633 1.00 0.00 H new ATOM 654 N VAL A 45 -2.875 3.834 -3.096 1.00 0.00 N ATOM 655 CA VAL A 45 -3.797 2.788 -3.616 1.00 0.00 C ATOM 656 C VAL A 45 -5.269 3.112 -3.374 1.00 0.00 C ATOM 657 O VAL A 45 -5.642 3.799 -2.443 1.00 0.00 O ATOM 658 CB VAL A 45 -3.395 1.519 -2.857 1.00 0.00 C ATOM 659 CG1 VAL A 45 -4.517 0.480 -2.930 1.00 0.00 C ATOM 660 CG2 VAL A 45 -2.129 0.936 -3.487 1.00 0.00 C ATOM 0 H VAL A 45 -3.050 4.153 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.708 2.694 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.212 1.772 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.218 -0.417 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.423 0.890 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.710 0.225 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.838 0.033 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.322 0.692 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.323 1.668 -3.428 1.00 0.00 H new ATOM 670 N THR A 46 -6.097 2.565 -4.214 1.00 0.00 N ATOM 671 CA THR A 46 -7.565 2.743 -4.095 1.00 0.00 C ATOM 672 C THR A 46 -8.162 1.376 -3.800 1.00 0.00 C ATOM 673 O THR A 46 -7.551 0.365 -4.082 1.00 0.00 O ATOM 674 CB THR A 46 -8.009 3.241 -5.471 1.00 0.00 C ATOM 675 OG1 THR A 46 -7.814 4.646 -5.551 1.00 0.00 O ATOM 676 CG2 THR A 46 -9.490 2.912 -5.688 1.00 0.00 C ATOM 0 H THR A 46 -5.807 1.985 -5.001 1.00 0.00 H new ATOM 0 HA THR A 46 -7.871 3.435 -3.310 1.00 0.00 H new ATOM 0 HB THR A 46 -7.417 2.748 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.097 4.966 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.802 3.269 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.635 1.833 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.088 3.400 -4.918 1.00 0.00 H new ATOM 684 N PHE A 47 -9.330 1.313 -3.239 1.00 0.00 N ATOM 685 CA PHE A 47 -9.905 -0.021 -2.948 1.00 0.00 C ATOM 686 C PHE A 47 -11.339 0.099 -2.482 1.00 0.00 C ATOM 687 O PHE A 47 -11.886 1.175 -2.390 1.00 0.00 O ATOM 688 CB PHE A 47 -9.037 -0.586 -1.828 1.00 0.00 C ATOM 689 CG PHE A 47 -9.205 0.269 -0.594 1.00 0.00 C ATOM 690 CD1 PHE A 47 -10.209 -0.029 0.340 1.00 0.00 C ATOM 691 CD2 PHE A 47 -8.355 1.363 -0.382 1.00 0.00 C ATOM 692 CE1 PHE A 47 -10.360 0.767 1.479 1.00 0.00 C ATOM 693 CE2 PHE A 47 -8.508 2.156 0.760 1.00 0.00 C ATOM 694 CZ PHE A 47 -9.509 1.858 1.690 1.00 0.00 C ATOM 0 H PHE A 47 -9.904 2.113 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.914 -0.658 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.323 -1.616 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.991 -0.603 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.864 -0.872 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.582 1.594 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.134 0.540 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.853 2.999 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.626 2.470 2.572 1.00 0.00 H new ATOM 704 N ASP A 48 -11.928 -1.010 -2.154 1.00 0.00 N ATOM 705 CA ASP A 48 -13.321 -1.001 -1.653 1.00 0.00 C ATOM 706 C ASP A 48 -13.280 -1.292 -0.157 1.00 0.00 C ATOM 707 O ASP A 48 -12.940 -2.379 0.264 1.00 0.00 O ATOM 708 CB ASP A 48 -14.032 -2.126 -2.408 1.00 0.00 C ATOM 709 CG ASP A 48 -13.784 -1.974 -3.911 1.00 0.00 C ATOM 710 OD1 ASP A 48 -13.178 -0.987 -4.294 1.00 0.00 O ATOM 711 OD2 ASP A 48 -14.204 -2.847 -4.652 1.00 0.00 O ATOM 0 H ASP A 48 -11.498 -1.933 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.834 -0.051 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.667 -3.094 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.102 -2.097 -2.201 1.00 0.00 H new ATOM 716 N ASP A 49 -13.590 -0.319 0.649 1.00 0.00 N ATOM 717 CA ASP A 49 -13.529 -0.532 2.121 1.00 0.00 C ATOM 718 C ASP A 49 -14.447 -1.692 2.535 1.00 0.00 C ATOM 719 O ASP A 49 -14.369 -2.187 3.642 1.00 0.00 O ATOM 720 CB ASP A 49 -13.970 0.811 2.732 1.00 0.00 C ATOM 721 CG ASP A 49 -14.849 0.587 3.970 1.00 0.00 C ATOM 722 OD1 ASP A 49 -14.296 0.436 5.046 1.00 0.00 O ATOM 723 OD2 ASP A 49 -16.060 0.572 3.817 1.00 0.00 O ATOM 0 H ASP A 49 -13.882 0.613 0.355 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.534 -0.812 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.092 1.396 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.520 1.389 1.990 1.00 0.00 H new ATOM 728 N THR A 50 -15.307 -2.132 1.659 1.00 0.00 N ATOM 729 CA THR A 50 -16.214 -3.260 2.013 1.00 0.00 C ATOM 730 C THR A 50 -15.394 -4.508 2.361 1.00 0.00 C ATOM 731 O THR A 50 -15.787 -5.309 3.186 1.00 0.00 O ATOM 732 CB THR A 50 -17.052 -3.500 0.758 1.00 0.00 C ATOM 733 OG1 THR A 50 -18.104 -4.409 1.057 1.00 0.00 O ATOM 734 CG2 THR A 50 -16.168 -4.084 -0.345 1.00 0.00 C ATOM 0 H THR A 50 -15.421 -1.761 0.716 1.00 0.00 H new ATOM 0 HA THR A 50 -16.835 -3.037 2.881 1.00 0.00 H new ATOM 0 HB THR A 50 -17.475 -2.555 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.643 -4.562 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.767 -4.255 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.364 -3.385 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.742 -5.029 -0.008 1.00 0.00 H new ATOM 742 N LYS A 51 -14.258 -4.680 1.740 1.00 0.00 N ATOM 743 CA LYS A 51 -13.418 -5.877 2.040 1.00 0.00 C ATOM 744 C LYS A 51 -11.990 -5.453 2.399 1.00 0.00 C ATOM 745 O LYS A 51 -11.159 -6.267 2.748 1.00 0.00 O ATOM 746 CB LYS A 51 -13.428 -6.701 0.751 1.00 0.00 C ATOM 747 CG LYS A 51 -14.498 -7.791 0.850 1.00 0.00 C ATOM 748 CD LYS A 51 -13.874 -9.151 0.528 1.00 0.00 C ATOM 749 CE LYS A 51 -13.711 -9.293 -0.987 1.00 0.00 C ATOM 750 NZ LYS A 51 -14.485 -10.515 -1.342 1.00 0.00 N ATOM 0 H LYS A 51 -13.875 -4.045 1.039 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.799 -6.444 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.629 -6.056 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.449 -7.151 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.927 -7.804 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.313 -7.580 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.905 -9.244 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.504 -9.952 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.094 -8.417 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.662 -9.395 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.422 -10.680 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.093 -11.334 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.481 -10.385 -1.073 1.00 0.00 H new ATOM 764 N ALA A 52 -11.704 -4.184 2.320 1.00 0.00 N ATOM 765 CA ALA A 52 -10.334 -3.700 2.661 1.00 0.00 C ATOM 766 C ALA A 52 -10.417 -2.352 3.378 1.00 0.00 C ATOM 767 O ALA A 52 -11.476 -1.925 3.793 1.00 0.00 O ATOM 768 CB ALA A 52 -9.617 -3.547 1.320 1.00 0.00 C ATOM 0 H ALA A 52 -12.360 -3.458 2.033 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.809 -4.386 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.600 -3.193 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.586 -4.511 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.153 -2.828 0.701 1.00 0.00 H new ATOM 774 N SER A 53 -9.310 -1.679 3.532 1.00 0.00 N ATOM 775 CA SER A 53 -9.334 -0.361 4.225 1.00 0.00 C ATOM 776 C SER A 53 -7.922 0.218 4.292 1.00 0.00 C ATOM 777 O SER A 53 -6.948 -0.503 4.261 1.00 0.00 O ATOM 778 CB SER A 53 -9.855 -0.663 5.629 1.00 0.00 C ATOM 779 OG SER A 53 -9.698 0.490 6.446 1.00 0.00 O ATOM 0 H SER A 53 -8.392 -1.984 3.209 1.00 0.00 H new ATOM 0 HA SER A 53 -9.956 0.370 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.905 -0.952 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.311 -1.504 6.058 1.00 0.00 H new ATOM 0 HG SER A 53 -10.033 0.300 7.347 1.00 0.00 H new ATOM 785 N VAL A 54 -7.801 1.512 4.388 1.00 0.00 N ATOM 786 CA VAL A 54 -6.456 2.127 4.469 1.00 0.00 C ATOM 787 C VAL A 54 -5.582 1.324 5.431 1.00 0.00 C ATOM 788 O VAL A 54 -4.398 1.158 5.220 1.00 0.00 O ATOM 789 CB VAL A 54 -6.716 3.532 5.002 1.00 0.00 C ATOM 790 CG1 VAL A 54 -7.747 4.233 4.115 1.00 0.00 C ATOM 791 CG2 VAL A 54 -7.253 3.443 6.432 1.00 0.00 C ATOM 0 H VAL A 54 -8.581 2.169 4.414 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.932 2.147 3.513 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.786 4.100 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.932 5.237 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.367 4.297 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.677 3.665 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.439 4.447 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.183 2.875 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.520 2.944 7.066 1.00 0.00 H new ATOM 801 N GLN A 55 -6.164 0.802 6.476 1.00 0.00 N ATOM 802 CA GLN A 55 -5.367 -0.012 7.434 1.00 0.00 C ATOM 803 C GLN A 55 -4.889 -1.281 6.731 1.00 0.00 C ATOM 804 O GLN A 55 -3.737 -1.656 6.817 1.00 0.00 O ATOM 805 CB GLN A 55 -6.330 -0.352 8.571 1.00 0.00 C ATOM 806 CG GLN A 55 -5.557 -0.417 9.888 1.00 0.00 C ATOM 807 CD GLN A 55 -6.518 -0.757 11.028 1.00 0.00 C ATOM 808 OE1 GLN A 55 -7.146 -1.797 11.020 1.00 0.00 O ATOM 809 NE2 GLN A 55 -6.658 0.083 12.016 1.00 0.00 N ATOM 0 H GLN A 55 -7.152 0.904 6.706 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.486 0.511 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.116 0.401 8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.818 -1.307 8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.771 -1.170 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.069 0.538 10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.130 0.956 12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.295 -0.133 12.783 1.00 0.00 H new ATOM 818 N LYS A 56 -5.771 -1.939 6.028 1.00 0.00 N ATOM 819 CA LYS A 56 -5.376 -3.179 5.307 1.00 0.00 C ATOM 820 C LYS A 56 -4.324 -2.860 4.239 1.00 0.00 C ATOM 821 O LYS A 56 -3.535 -3.706 3.870 1.00 0.00 O ATOM 822 CB LYS A 56 -6.665 -3.693 4.663 1.00 0.00 C ATOM 823 CG LYS A 56 -7.785 -3.713 5.706 1.00 0.00 C ATOM 824 CD LYS A 56 -8.287 -5.147 5.891 1.00 0.00 C ATOM 825 CE LYS A 56 -8.686 -5.368 7.352 1.00 0.00 C ATOM 826 NZ LYS A 56 -10.000 -4.681 7.502 1.00 0.00 N ATOM 0 H LYS A 56 -6.749 -1.669 5.923 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.933 -3.920 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.945 -3.054 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.509 -4.695 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.420 -3.319 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.604 -3.068 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.141 -5.331 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.509 -5.855 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.768 -6.430 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.943 -4.951 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.947 -3.997 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.234 -4.182 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.738 -5.384 7.708 1.00 0.00 H new ATOM 840 N LEU A 57 -4.288 -1.646 3.746 1.00 0.00 N ATOM 841 CA LEU A 57 -3.262 -1.305 2.722 1.00 0.00 C ATOM 842 C LEU A 57 -1.888 -1.283 3.392 1.00 0.00 C ATOM 843 O LEU A 57 -0.974 -1.980 2.997 1.00 0.00 O ATOM 844 CB LEU A 57 -3.632 0.092 2.218 1.00 0.00 C ATOM 845 CG LEU A 57 -5.094 0.128 1.758 1.00 0.00 C ATOM 846 CD1 LEU A 57 -5.443 1.554 1.336 1.00 0.00 C ATOM 847 CD2 LEU A 57 -5.292 -0.810 0.565 1.00 0.00 C ATOM 0 H LEU A 57 -4.918 -0.887 4.007 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.229 -2.023 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.476 0.824 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.978 0.372 1.392 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.739 -0.194 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.481 1.592 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.306 2.228 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.791 1.861 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.334 -0.777 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.650 -0.493 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.033 -1.828 0.856 1.00 0.00 H new ATOM 859 N THR A 58 -1.751 -0.496 4.424 1.00 0.00 N ATOM 860 CA THR A 58 -0.457 -0.430 5.152 1.00 0.00 C ATOM 861 C THR A 58 -0.159 -1.798 5.756 1.00 0.00 C ATOM 862 O THR A 58 0.974 -2.135 6.035 1.00 0.00 O ATOM 863 CB THR A 58 -0.676 0.605 6.255 1.00 0.00 C ATOM 864 OG1 THR A 58 -1.550 1.620 5.782 1.00 0.00 O ATOM 865 CG2 THR A 58 0.664 1.226 6.654 1.00 0.00 C ATOM 0 H THR A 58 -2.486 0.107 4.795 1.00 0.00 H new ATOM 0 HA THR A 58 0.381 -0.159 4.509 1.00 0.00 H new ATOM 0 HB THR A 58 -1.119 0.119 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.270 1.761 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.503 1.963 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.332 0.446 7.019 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.112 1.712 5.787 1.00 0.00 H new ATOM 873 N LYS A 59 -1.175 -2.595 5.950 1.00 0.00 N ATOM 874 CA LYS A 59 -0.960 -3.945 6.521 1.00 0.00 C ATOM 875 C LYS A 59 -0.510 -4.894 5.412 1.00 0.00 C ATOM 876 O LYS A 59 0.187 -5.860 5.653 1.00 0.00 O ATOM 877 CB LYS A 59 -2.323 -4.361 7.073 1.00 0.00 C ATOM 878 CG LYS A 59 -2.133 -5.470 8.105 1.00 0.00 C ATOM 879 CD LYS A 59 -2.663 -5.005 9.463 1.00 0.00 C ATOM 880 CE LYS A 59 -1.779 -3.876 10.000 1.00 0.00 C ATOM 881 NZ LYS A 59 -1.507 -4.244 11.418 1.00 0.00 N ATOM 0 H LYS A 59 -2.145 -2.364 5.735 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.193 -3.963 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.820 -3.505 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.965 -4.708 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.659 -6.370 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.077 -5.729 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.692 -4.659 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.673 -5.838 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.854 -3.793 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.284 -2.912 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.906 -3.517 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.405 -4.310 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.020 -5.162 11.451 1.00 0.00 H new ATOM 895 N ALA A 60 -0.890 -4.619 4.192 1.00 0.00 N ATOM 896 CA ALA A 60 -0.462 -5.505 3.075 1.00 0.00 C ATOM 897 C ALA A 60 1.034 -5.328 2.841 1.00 0.00 C ATOM 898 O ALA A 60 1.763 -6.286 2.681 1.00 0.00 O ATOM 899 CB ALA A 60 -1.268 -5.048 1.859 1.00 0.00 C ATOM 0 H ALA A 60 -1.473 -3.826 3.924 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.636 -6.561 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.003 -5.659 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.333 -5.156 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.044 -4.003 1.646 1.00 0.00 H new ATOM 905 N THR A 61 1.508 -4.113 2.861 1.00 0.00 N ATOM 906 CA THR A 61 2.969 -3.901 2.683 1.00 0.00 C ATOM 907 C THR A 61 3.648 -4.292 3.982 1.00 0.00 C ATOM 908 O THR A 61 4.699 -4.903 3.997 1.00 0.00 O ATOM 909 CB THR A 61 3.130 -2.412 2.403 1.00 0.00 C ATOM 910 OG1 THR A 61 4.488 -2.130 2.089 1.00 0.00 O ATOM 911 CG2 THR A 61 2.709 -1.606 3.631 1.00 0.00 C ATOM 0 H THR A 61 0.953 -3.267 2.991 1.00 0.00 H new ATOM 0 HA THR A 61 3.406 -4.489 1.876 1.00 0.00 H new ATOM 0 HB THR A 61 2.498 -2.135 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.650 -1.167 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.826 -0.542 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.666 -1.818 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.335 -1.883 4.480 1.00 0.00 H new ATOM 919 N ALA A 62 3.021 -3.979 5.080 1.00 0.00 N ATOM 920 CA ALA A 62 3.595 -4.371 6.383 1.00 0.00 C ATOM 921 C ALA A 62 3.668 -5.892 6.407 1.00 0.00 C ATOM 922 O ALA A 62 4.471 -6.484 7.101 1.00 0.00 O ATOM 923 CB ALA A 62 2.616 -3.851 7.436 1.00 0.00 C ATOM 0 H ALA A 62 2.138 -3.470 5.126 1.00 0.00 H new ATOM 0 HA ALA A 62 4.593 -3.971 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.981 -4.108 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.530 -2.768 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.638 -4.306 7.280 1.00 0.00 H new ATOM 929 N ASP A 63 2.833 -6.528 5.622 1.00 0.00 N ATOM 930 CA ASP A 63 2.850 -8.010 5.563 1.00 0.00 C ATOM 931 C ASP A 63 3.891 -8.459 4.539 1.00 0.00 C ATOM 932 O ASP A 63 4.417 -9.552 4.614 1.00 0.00 O ATOM 933 CB ASP A 63 1.441 -8.413 5.124 1.00 0.00 C ATOM 934 CG ASP A 63 1.387 -9.925 4.894 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.662 -10.656 5.831 1.00 0.00 O ATOM 936 OD2 ASP A 63 1.071 -10.325 3.786 1.00 0.00 O ATOM 0 H ASP A 63 2.142 -6.078 5.021 1.00 0.00 H new ATOM 0 HA ASP A 63 3.111 -8.469 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.716 -8.125 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.170 -7.886 4.209 1.00 0.00 H new ATOM 941 N ALA A 64 4.216 -7.613 3.596 1.00 0.00 N ATOM 942 CA ALA A 64 5.247 -7.991 2.597 1.00 0.00 C ATOM 943 C ALA A 64 6.615 -7.914 3.263 1.00 0.00 C ATOM 944 O ALA A 64 7.592 -8.451 2.779 1.00 0.00 O ATOM 945 CB ALA A 64 5.131 -6.955 1.478 1.00 0.00 C ATOM 0 H ALA A 64 3.812 -6.684 3.478 1.00 0.00 H new ATOM 0 HA ALA A 64 5.116 -9.001 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.866 -7.173 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.129 -6.993 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.315 -5.960 1.883 1.00 0.00 H new ATOM 951 N GLY A 65 6.685 -7.242 4.380 1.00 0.00 N ATOM 952 CA GLY A 65 7.980 -7.117 5.093 1.00 0.00 C ATOM 953 C GLY A 65 8.417 -5.660 5.072 1.00 0.00 C ATOM 954 O GLY A 65 9.590 -5.351 5.127 1.00 0.00 O ATOM 0 H GLY A 65 5.897 -6.774 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.879 -7.465 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.734 -7.743 4.617 1.00 0.00 H new ATOM 958 N TYR A 66 7.476 -4.759 4.997 1.00 0.00 N ATOM 959 CA TYR A 66 7.831 -3.317 4.968 1.00 0.00 C ATOM 960 C TYR A 66 6.870 -2.525 5.860 1.00 0.00 C ATOM 961 O TYR A 66 5.912 -1.951 5.380 1.00 0.00 O ATOM 962 CB TYR A 66 7.681 -2.906 3.501 1.00 0.00 C ATOM 963 CG TYR A 66 8.396 -3.907 2.624 1.00 0.00 C ATOM 964 CD1 TYR A 66 9.741 -4.201 2.868 1.00 0.00 C ATOM 965 CD2 TYR A 66 7.720 -4.541 1.569 1.00 0.00 C ATOM 966 CE1 TYR A 66 10.414 -5.128 2.064 1.00 0.00 C ATOM 967 CE2 TYR A 66 8.395 -5.466 0.765 1.00 0.00 C ATOM 968 CZ TYR A 66 9.741 -5.761 1.013 1.00 0.00 C ATOM 969 OH TYR A 66 10.405 -6.674 0.219 1.00 0.00 O ATOM 0 H TYR A 66 6.477 -4.962 4.955 1.00 0.00 H new ATOM 0 HA TYR A 66 8.837 -3.124 5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.626 -2.858 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.095 -1.910 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 66 10.261 -3.712 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.681 -4.315 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.453 -5.355 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.877 -5.953 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 66 9.770 -7.342 -0.113 1.00 0.00 H new ATOM 979 N PRO A 67 7.156 -2.517 7.139 1.00 0.00 N ATOM 980 CA PRO A 67 6.304 -1.789 8.104 1.00 0.00 C ATOM 981 C PRO A 67 6.119 -0.342 7.649 1.00 0.00 C ATOM 982 O PRO A 67 6.961 0.505 7.871 1.00 0.00 O ATOM 983 CB PRO A 67 7.116 -1.875 9.399 1.00 0.00 C ATOM 984 CG PRO A 67 8.337 -2.783 9.155 1.00 0.00 C ATOM 985 CD PRO A 67 8.338 -3.223 7.685 1.00 0.00 C ATOM 0 HA PRO A 67 5.298 -2.196 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.440 -0.881 9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.501 -2.276 10.205 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.258 -2.249 9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.297 -3.653 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.256 -2.932 7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.247 -4.305 7.585 1.00 0.00 H new ATOM 993 N SER A 68 5.028 -0.062 6.995 1.00 0.00 N ATOM 994 CA SER A 68 4.791 1.326 6.499 1.00 0.00 C ATOM 995 C SER A 68 3.691 2.022 7.300 1.00 0.00 C ATOM 996 O SER A 68 3.343 1.620 8.392 1.00 0.00 O ATOM 997 CB SER A 68 4.345 1.148 5.051 1.00 0.00 C ATOM 998 OG SER A 68 2.952 0.865 5.020 1.00 0.00 O ATOM 0 H SER A 68 4.289 -0.732 6.781 1.00 0.00 H new ATOM 0 HA SER A 68 5.683 1.944 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.557 2.052 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.903 0.337 4.584 1.00 0.00 H new ATOM 0 HG SER A 68 2.527 1.393 4.313 1.00 0.00 H new ATOM 1004 N SER A 69 3.145 3.068 6.748 1.00 0.00 N ATOM 1005 CA SER A 69 2.065 3.817 7.438 1.00 0.00 C ATOM 1006 C SER A 69 1.103 4.352 6.387 1.00 0.00 C ATOM 1007 O SER A 69 1.174 3.988 5.231 1.00 0.00 O ATOM 1008 CB SER A 69 2.766 4.965 8.165 1.00 0.00 C ATOM 1009 OG SER A 69 2.001 5.335 9.304 1.00 0.00 O ATOM 0 H SER A 69 3.407 3.439 5.835 1.00 0.00 H new ATOM 0 HA SER A 69 1.496 3.203 8.136 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.768 4.661 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.881 5.818 7.496 1.00 0.00 H new ATOM 0 HG SER A 69 2.448 6.070 9.774 1.00 0.00 H new ATOM 1015 N VAL A 70 0.194 5.195 6.763 1.00 0.00 N ATOM 1016 CA VAL A 70 -0.764 5.712 5.759 1.00 0.00 C ATOM 1017 C VAL A 70 -1.020 7.203 5.954 1.00 0.00 C ATOM 1018 O VAL A 70 -0.892 7.733 7.040 1.00 0.00 O ATOM 1019 CB VAL A 70 -2.012 4.879 6.011 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -2.806 5.461 7.184 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -2.889 4.864 4.758 1.00 0.00 C ATOM 0 H VAL A 70 0.072 5.547 7.713 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.404 5.627 4.734 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.710 3.860 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.697 4.857 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.186 5.456 8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.101 6.484 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.781 4.266 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.182 5.883 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.330 4.432 3.928 1.00 0.00 H new ATOM 1031 N LYS A 71 -1.376 7.886 4.900 1.00 0.00 N ATOM 1032 CA LYS A 71 -1.632 9.351 5.024 1.00 0.00 C ATOM 1033 C LYS A 71 -2.528 9.842 3.888 1.00 0.00 C ATOM 1034 O LYS A 71 -2.141 10.677 3.094 1.00 0.00 O ATOM 1035 CB LYS A 71 -0.255 9.998 4.928 1.00 0.00 C ATOM 1036 CG LYS A 71 0.265 9.848 3.501 1.00 0.00 C ATOM 1037 CD LYS A 71 1.745 9.465 3.537 1.00 0.00 C ATOM 1038 CE LYS A 71 2.580 10.590 2.923 1.00 0.00 C ATOM 1039 NZ LYS A 71 3.937 10.431 3.517 1.00 0.00 N ATOM 0 H LYS A 71 -1.500 7.498 3.965 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.143 9.598 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.315 11.052 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.432 9.527 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.307 9.085 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.133 10.782 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.060 9.284 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.905 8.538 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.613 10.509 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.159 11.567 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.564 11.179 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.873 10.502 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.323 9.501 3.257 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.722 9.330 3.813 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.665 9.757 2.737 1.00 0.00 C ATOM 1055 C GLN A 72 -4.544 11.263 2.487 1.00 0.00 C ATOM 1056 O GLN A 72 -4.094 11.958 3.383 1.00 0.00 O ATOM 1057 CB GLN A 72 -6.054 9.421 3.278 1.00 0.00 C ATOM 1058 CG GLN A 72 -6.321 10.238 4.544 1.00 0.00 C ATOM 1059 CD GLN A 72 -7.281 9.471 5.456 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -8.473 9.701 5.431 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -6.808 8.563 6.266 1.00 0.00 N ATOM 1062 OXT GLN A 72 -4.903 11.694 1.404 1.00 0.00 O ATOM 0 H GLN A 72 -4.091 8.628 4.455 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.459 9.260 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.812 9.639 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.122 8.356 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.385 10.434 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.748 11.206 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.807 8.370 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.440 8.047 6.878 1.00 0.00 H new