USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.31 F(o=-2.8,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -23:sc= -4.04! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= -0.141 (180deg=-0.164) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -6.24! USER MOD Single : A 44 MET CE :methyl -149:sc= -13.9! (180deg=-20.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.43 F(o=-2.8!,f=-1.4) USER MOD Single : A 51 THR OG1 : rot 93:sc= -0.441 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 169:sc= -3.07! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.037 K(o=-0.037,f=-0.8) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.0381 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.840 1.729 -8.251 1.00 0.00 N ATOM 44 CA THR A 4 -10.423 2.005 -6.950 1.00 0.00 C ATOM 45 C THR A 4 -9.667 1.247 -5.856 1.00 0.00 C ATOM 46 O THR A 4 -8.688 0.558 -6.136 1.00 0.00 O ATOM 47 CB THR A 4 -11.911 1.655 -7.013 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.472 2.314 -5.882 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.176 0.171 -6.750 1.00 0.00 C ATOM 0 HA THR A 4 -10.334 3.061 -6.693 1.00 0.00 H new ATOM 0 HB THR A 4 -12.305 1.926 -7.992 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.436 2.141 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.247 -0.023 -6.807 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.659 -0.429 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.811 -0.093 -5.757 1.00 0.00 H new ATOM 57 N GLN A 5 -10.152 1.399 -4.632 1.00 0.00 N ATOM 58 CA GLN A 5 -9.534 0.738 -3.495 1.00 0.00 C ATOM 59 C GLN A 5 -9.351 -0.753 -3.784 1.00 0.00 C ATOM 60 O GLN A 5 -8.226 -1.228 -3.927 1.00 0.00 O ATOM 61 CB GLN A 5 -10.357 0.953 -2.223 1.00 0.00 C ATOM 62 CG GLN A 5 -9.654 0.349 -1.006 1.00 0.00 C ATOM 63 CD GLN A 5 -8.629 1.324 -0.425 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.488 1.382 -1.107 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.858 1.980 0.578 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.966 1.970 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.551 1.180 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.515 2.020 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.341 0.499 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.391 0.095 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.158 -0.579 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.755 1.888 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.152 2.621 0.941 1.00 0.00 H new ATOM 72 N GLU A 6 -10.475 -1.451 -3.860 1.00 0.00 N ATOM 73 CA GLU A 6 -10.453 -2.879 -4.130 1.00 0.00 C ATOM 74 C GLU A 6 -9.569 -3.176 -5.343 1.00 0.00 C ATOM 75 O GLU A 6 -9.110 -4.304 -5.520 1.00 0.00 O ATOM 76 CB GLU A 6 -11.868 -3.420 -4.335 1.00 0.00 C ATOM 77 CG GLU A 6 -12.340 -4.204 -3.110 1.00 0.00 C ATOM 78 CD GLU A 6 -13.760 -3.797 -2.710 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.658 -3.763 -3.565 1.00 0.00 O ATOM 80 OE2 GLU A 6 -13.914 -3.511 -1.462 1.00 0.00 O ATOM 0 H GLU A 6 -11.407 -1.054 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.029 -3.387 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.552 -2.594 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.891 -4.064 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.311 -5.272 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.659 -4.028 -2.277 1.00 0.00 H new ATOM 86 N GLU A 7 -9.358 -2.145 -6.149 1.00 0.00 N ATOM 87 CA GLU A 7 -8.539 -2.283 -7.340 1.00 0.00 C ATOM 88 C GLU A 7 -7.058 -2.354 -6.960 1.00 0.00 C ATOM 89 O GLU A 7 -6.324 -3.202 -7.466 1.00 0.00 O ATOM 90 CB GLU A 7 -8.798 -1.136 -8.320 1.00 0.00 C ATOM 91 CG GLU A 7 -9.271 -1.668 -9.674 1.00 0.00 C ATOM 92 CD GLU A 7 -10.685 -1.179 -9.993 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.034 -0.035 -9.667 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.433 -2.036 -10.603 1.00 0.00 O ATOM 0 H GLU A 7 -9.740 -1.211 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.812 -3.213 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.549 -0.463 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.886 -0.553 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.585 -1.343 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.252 -2.758 -9.667 1.00 0.00 H new ATOM 100 N ILE A 8 -6.663 -1.452 -6.074 1.00 0.00 N ATOM 101 CA ILE A 8 -5.284 -1.401 -5.621 1.00 0.00 C ATOM 102 C ILE A 8 -5.127 -2.283 -4.381 1.00 0.00 C ATOM 103 O ILE A 8 -4.024 -2.431 -3.856 1.00 0.00 O ATOM 104 CB ILE A 8 -4.842 0.047 -5.406 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.429 0.965 -6.481 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.317 0.151 -5.335 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.254 2.436 -6.101 1.00 0.00 C ATOM 0 H ILE A 8 -7.275 -0.750 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.618 -1.802 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.233 0.384 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.940 0.772 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.488 0.744 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.030 1.191 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.949 -0.453 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.884 -0.211 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.680 3.067 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.765 2.631 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.193 2.660 -5.992 1.00 0.00 H new ATOM 118 N ILE A 9 -6.245 -2.845 -3.947 1.00 0.00 N ATOM 119 CA ILE A 9 -6.246 -3.708 -2.779 1.00 0.00 C ATOM 120 C ILE A 9 -6.409 -5.163 -3.224 1.00 0.00 C ATOM 121 O ILE A 9 -5.742 -6.054 -2.702 1.00 0.00 O ATOM 122 CB ILE A 9 -7.305 -3.249 -1.774 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.987 -1.851 -1.242 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.469 -4.269 -0.646 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.576 -1.650 0.156 1.00 0.00 C ATOM 0 H ILE A 9 -7.158 -2.719 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.293 -3.640 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.262 -3.186 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.907 -1.707 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.389 -1.099 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.227 -3.918 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.777 -5.228 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.520 -4.389 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.336 -0.648 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.659 -1.771 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.154 -2.388 0.838 1.00 0.00 H new ATOM 136 N ALA A 10 -7.300 -5.357 -4.184 1.00 0.00 N ATOM 137 CA ALA A 10 -7.560 -6.689 -4.705 1.00 0.00 C ATOM 138 C ALA A 10 -6.672 -6.936 -5.925 1.00 0.00 C ATOM 139 O ALA A 10 -6.189 -8.049 -6.131 1.00 0.00 O ATOM 140 CB ALA A 10 -9.048 -6.829 -5.029 1.00 0.00 C ATOM 0 H ALA A 10 -7.851 -4.615 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.316 -7.447 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.243 -7.828 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.634 -6.673 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.329 -6.086 -5.775 1.00 0.00 H new ATOM 146 N GLY A 11 -6.483 -5.880 -6.704 1.00 0.00 N ATOM 147 CA GLY A 11 -5.661 -5.969 -7.899 1.00 0.00 C ATOM 148 C GLY A 11 -4.188 -6.170 -7.537 1.00 0.00 C ATOM 149 O GLY A 11 -3.498 -6.978 -8.156 1.00 0.00 O ATOM 0 H GLY A 11 -6.885 -4.959 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.003 -6.797 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.773 -5.060 -8.491 1.00 0.00 H new ATOM 153 N ILE A 12 -3.750 -5.420 -6.537 1.00 0.00 N ATOM 154 CA ILE A 12 -2.371 -5.506 -6.085 1.00 0.00 C ATOM 155 C ILE A 12 -2.185 -6.786 -5.269 1.00 0.00 C ATOM 156 O ILE A 12 -1.294 -7.584 -5.554 1.00 0.00 O ATOM 157 CB ILE A 12 -1.974 -4.234 -5.334 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.919 -3.032 -6.280 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.657 -4.431 -4.580 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.658 -2.200 -6.037 1.00 0.00 C ATOM 0 H ILE A 12 -4.325 -4.750 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.694 -5.570 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.743 -4.023 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.938 -3.377 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.803 -2.410 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.398 -3.512 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.768 -5.242 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.134 -4.680 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.644 -1.352 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.655 -1.836 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.224 -2.818 -6.206 1.00 0.00 H new ATOM 171 N ALA A 13 -3.041 -6.942 -4.269 1.00 0.00 N ATOM 172 CA ALA A 13 -2.982 -8.112 -3.409 1.00 0.00 C ATOM 173 C ALA A 13 -2.739 -9.357 -4.265 1.00 0.00 C ATOM 174 O ALA A 13 -1.885 -10.180 -3.942 1.00 0.00 O ATOM 175 CB ALA A 13 -4.270 -8.209 -2.589 1.00 0.00 C ATOM 0 H ALA A 13 -3.779 -6.278 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.154 -8.030 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.226 -9.087 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.380 -7.314 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.124 -8.296 -3.261 1.00 0.00 H new ATOM 181 N GLU A 14 -3.508 -9.455 -5.339 1.00 0.00 N ATOM 182 CA GLU A 14 -3.387 -10.586 -6.244 1.00 0.00 C ATOM 183 C GLU A 14 -1.956 -10.691 -6.776 1.00 0.00 C ATOM 184 O GLU A 14 -1.368 -11.771 -6.775 1.00 0.00 O ATOM 185 CB GLU A 14 -4.392 -10.479 -7.393 1.00 0.00 C ATOM 186 CG GLU A 14 -5.826 -10.647 -6.886 1.00 0.00 C ATOM 187 CD GLU A 14 -6.259 -12.113 -6.945 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.705 -12.953 -6.221 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.209 -12.367 -7.780 1.00 0.00 O ATOM 0 H GLU A 14 -4.217 -8.771 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.615 -11.496 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.287 -9.511 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.176 -11.241 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.898 -10.284 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.502 -10.040 -7.488 1.00 0.00 H new ATOM 195 N ILE A 15 -1.437 -9.555 -7.215 1.00 0.00 N ATOM 196 CA ILE A 15 -0.086 -9.505 -7.749 1.00 0.00 C ATOM 197 C ILE A 15 0.908 -9.846 -6.638 1.00 0.00 C ATOM 198 O ILE A 15 1.848 -10.610 -6.854 1.00 0.00 O ATOM 199 CB ILE A 15 0.177 -8.153 -8.416 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.561 -8.048 -9.752 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.678 -7.901 -8.569 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.348 -6.674 -10.390 1.00 0.00 C ATOM 0 H ILE A 15 -1.928 -8.661 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 15 0.042 -10.251 -8.533 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.217 -7.370 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.207 -8.826 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.626 -8.220 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.838 -6.934 -9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.149 -7.904 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.118 -8.686 -9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.883 -6.626 -11.338 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.725 -5.900 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.716 -6.515 -10.566 1.00 0.00 H new ATOM 213 N ILE A 16 0.667 -9.265 -5.472 1.00 0.00 N ATOM 214 CA ILE A 16 1.530 -9.498 -4.327 1.00 0.00 C ATOM 215 C ILE A 16 1.670 -11.005 -4.097 1.00 0.00 C ATOM 216 O ILE A 16 2.738 -11.482 -3.717 1.00 0.00 O ATOM 217 CB ILE A 16 1.015 -8.736 -3.104 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.994 -7.228 -3.366 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.827 -9.089 -1.856 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.875 -6.445 -2.057 1.00 0.00 C ATOM 0 H ILE A 16 -0.114 -8.633 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 16 2.530 -9.109 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.013 -9.045 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.904 -6.933 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.157 -6.980 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.440 -8.534 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.747 -10.158 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.873 -8.827 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.862 -5.376 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.048 -6.724 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.726 -6.676 -1.416 1.00 0.00 H new ATOM 231 N GLU A 17 0.576 -11.712 -4.339 1.00 0.00 N ATOM 232 CA GLU A 17 0.563 -13.154 -4.164 1.00 0.00 C ATOM 233 C GLU A 17 1.374 -13.831 -5.271 1.00 0.00 C ATOM 234 O GLU A 17 1.490 -15.055 -5.301 1.00 0.00 O ATOM 235 CB GLU A 17 -0.870 -13.690 -4.129 1.00 0.00 C ATOM 236 CG GLU A 17 -0.893 -15.165 -3.725 1.00 0.00 C ATOM 237 CD GLU A 17 -1.235 -16.055 -4.922 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.054 -15.669 -5.768 1.00 0.00 O ATOM 239 OE2 GLU A 17 -0.614 -17.186 -4.955 1.00 0.00 O ATOM 0 H GLU A 17 -0.308 -11.313 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 17 1.027 -13.387 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.463 -13.107 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.331 -13.570 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.078 -15.450 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.626 -15.318 -2.932 1.00 0.00 H new ATOM 245 N GLU A 18 1.914 -13.004 -6.155 1.00 0.00 N ATOM 246 CA GLU A 18 2.712 -13.507 -7.260 1.00 0.00 C ATOM 247 C GLU A 18 4.196 -13.234 -7.012 1.00 0.00 C ATOM 248 O GLU A 18 5.033 -14.115 -7.202 1.00 0.00 O ATOM 249 CB GLU A 18 2.256 -12.894 -8.586 1.00 0.00 C ATOM 250 CG GLU A 18 0.765 -13.144 -8.823 1.00 0.00 C ATOM 251 CD GLU A 18 0.546 -14.030 -10.050 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.588 -15.264 -9.939 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.323 -13.393 -11.150 1.00 0.00 O ATOM 0 H GLU A 18 1.814 -11.989 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 18 2.568 -14.585 -7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.452 -11.822 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.834 -13.320 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.328 -13.619 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.250 -12.193 -8.960 1.00 0.00 H new ATOM 259 N VAL A 19 4.478 -12.010 -6.590 1.00 0.00 N ATOM 260 CA VAL A 19 5.848 -11.611 -6.313 1.00 0.00 C ATOM 261 C VAL A 19 6.231 -12.063 -4.902 1.00 0.00 C ATOM 262 O VAL A 19 7.063 -12.953 -4.737 1.00 0.00 O ATOM 263 CB VAL A 19 6.006 -10.104 -6.521 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.473 -9.730 -6.738 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.138 -9.617 -7.684 1.00 0.00 C ATOM 0 H VAL A 19 3.781 -11.282 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 19 6.535 -12.095 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 19 5.664 -9.604 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.556 -8.653 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.056 -10.025 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.853 -10.245 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.269 -8.542 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.435 -10.129 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.091 -9.832 -7.472 1.00 0.00 H new ATOM 275 N THR A 20 5.606 -11.429 -3.923 1.00 0.00 N ATOM 276 CA THR A 20 5.871 -11.754 -2.531 1.00 0.00 C ATOM 277 C THR A 20 5.301 -13.132 -2.188 1.00 0.00 C ATOM 278 O THR A 20 5.809 -13.815 -1.301 1.00 0.00 O ATOM 279 CB THR A 20 5.304 -10.628 -1.666 1.00 0.00 C ATOM 280 OG1 THR A 20 3.898 -10.690 -1.893 1.00 0.00 O ATOM 281 CG2 THR A 20 5.703 -9.241 -2.172 1.00 0.00 C ATOM 0 H THR A 20 4.916 -10.691 -4.065 1.00 0.00 H new ATOM 0 HA THR A 20 6.941 -11.823 -2.337 1.00 0.00 H new ATOM 0 HB THR A 20 5.649 -10.751 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.724 -11.126 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.274 -8.479 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.789 -9.151 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.331 -9.103 -3.187 1.00 0.00 H new ATOM 289 N GLY A 21 4.252 -13.499 -2.909 1.00 0.00 N ATOM 290 CA GLY A 21 3.606 -14.782 -2.692 1.00 0.00 C ATOM 291 C GLY A 21 2.746 -14.757 -1.427 1.00 0.00 C ATOM 292 O GLY A 21 2.613 -15.768 -0.742 1.00 0.00 O ATOM 0 H GLY A 21 3.833 -12.930 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.985 -15.031 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.361 -15.563 -2.607 1.00 0.00 H new ATOM 296 N ILE A 22 2.183 -13.587 -1.157 1.00 0.00 N ATOM 297 CA ILE A 22 1.339 -13.416 0.014 1.00 0.00 C ATOM 298 C ILE A 22 -0.122 -13.637 -0.380 1.00 0.00 C ATOM 299 O ILE A 22 -0.451 -13.674 -1.565 1.00 0.00 O ATOM 300 CB ILE A 22 1.601 -12.058 0.669 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.061 -11.935 1.111 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.630 -11.811 1.825 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.475 -10.468 1.232 1.00 0.00 C ATOM 0 H ILE A 22 2.295 -12.750 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 22 1.582 -14.161 0.771 1.00 0.00 H new ATOM 0 HB ILE A 22 1.423 -11.280 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.198 -12.435 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.706 -12.441 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.838 -10.839 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.393 -11.827 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.753 -12.591 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.517 -10.409 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.360 -9.977 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.844 -9.971 1.969 1.00 0.00 H new ATOM 314 N GLU A 23 -0.961 -13.777 0.636 1.00 0.00 N ATOM 315 CA GLU A 23 -2.380 -13.994 0.410 1.00 0.00 C ATOM 316 C GLU A 23 -3.026 -12.729 -0.157 1.00 0.00 C ATOM 317 O GLU A 23 -2.549 -11.621 0.085 1.00 0.00 O ATOM 318 CB GLU A 23 -3.079 -14.436 1.697 1.00 0.00 C ATOM 319 CG GLU A 23 -3.496 -15.906 1.617 1.00 0.00 C ATOM 320 CD GLU A 23 -4.750 -16.167 2.455 1.00 0.00 C ATOM 321 OE1 GLU A 23 -5.868 -16.158 1.918 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.533 -16.386 3.707 1.00 0.00 O ATOM 0 H GLU A 23 -0.685 -13.744 1.618 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.493 -14.796 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.412 -14.289 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.957 -13.814 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.685 -16.178 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.681 -16.539 1.969 1.00 0.00 H new ATOM 328 N PRO A 24 -4.132 -12.939 -0.920 1.00 0.00 N ATOM 329 CA PRO A 24 -4.848 -11.829 -1.524 1.00 0.00 C ATOM 330 C PRO A 24 -5.672 -11.075 -0.478 1.00 0.00 C ATOM 331 O PRO A 24 -5.596 -9.851 -0.386 1.00 0.00 O ATOM 332 CB PRO A 24 -5.702 -12.457 -2.614 1.00 0.00 C ATOM 333 CG PRO A 24 -5.786 -13.937 -2.276 1.00 0.00 C ATOM 334 CD PRO A 24 -4.727 -14.237 -1.228 1.00 0.00 C ATOM 0 HA PRO A 24 -4.181 -11.077 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.694 -12.006 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.255 -12.305 -3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.778 -14.187 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.623 -14.542 -3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.166 -14.692 -0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.981 -14.935 -1.608 1.00 0.00 H new ATOM 339 N SER A 25 -6.443 -11.838 0.284 1.00 0.00 N ATOM 340 CA SER A 25 -7.281 -11.259 1.319 1.00 0.00 C ATOM 341 C SER A 25 -6.410 -10.722 2.458 1.00 0.00 C ATOM 342 O SER A 25 -6.840 -9.856 3.218 1.00 0.00 O ATOM 343 CB SER A 25 -8.284 -12.282 1.855 1.00 0.00 C ATOM 344 OG SER A 25 -9.618 -11.783 1.838 1.00 0.00 O ATOM 0 H SER A 25 -6.504 -12.853 0.204 1.00 0.00 H new ATOM 0 HA SER A 25 -7.844 -10.435 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.230 -13.191 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.013 -12.556 2.875 1.00 0.00 H new ATOM 0 HG SER A 25 -10.228 -12.467 2.186 1.00 0.00 H new ATOM 349 N GLU A 26 -5.203 -11.260 2.539 1.00 0.00 N ATOM 350 CA GLU A 26 -4.267 -10.847 3.573 1.00 0.00 C ATOM 351 C GLU A 26 -3.867 -9.384 3.371 1.00 0.00 C ATOM 352 O GLU A 26 -3.913 -8.590 4.308 1.00 0.00 O ATOM 353 CB GLU A 26 -3.037 -11.755 3.592 1.00 0.00 C ATOM 354 CG GLU A 26 -2.260 -11.598 4.901 1.00 0.00 C ATOM 355 CD GLU A 26 -0.990 -12.451 4.892 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.873 -13.379 4.079 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.104 -12.120 5.769 1.00 0.00 O ATOM 0 H GLU A 26 -4.850 -11.978 1.906 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.759 -10.938 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.345 -12.793 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.389 -11.514 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.997 -10.550 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.892 -11.889 5.740 1.00 0.00 H new ATOM 363 N ILE A 27 -3.481 -9.074 2.143 1.00 0.00 N ATOM 364 CA ILE A 27 -3.072 -7.720 1.806 1.00 0.00 C ATOM 365 C ILE A 27 -4.192 -6.746 2.177 1.00 0.00 C ATOM 366 O ILE A 27 -5.309 -6.856 1.670 1.00 0.00 O ATOM 367 CB ILE A 27 -2.647 -7.638 0.338 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.179 -8.037 0.171 1.00 0.00 C ATOM 369 CG2 ILE A 27 -2.933 -6.251 -0.239 1.00 0.00 C ATOM 370 CD1 ILE A 27 -0.804 -9.167 1.132 1.00 0.00 C ATOM 0 H ILE A 27 -3.442 -9.736 1.368 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.194 -7.432 2.385 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.242 -8.352 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.999 -8.354 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.541 -7.173 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.622 -6.220 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.001 -6.042 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.381 -5.501 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.244 -9.431 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.961 -8.838 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.427 -10.038 0.930 1.00 0.00 H new ATOM 381 N THR A 28 -3.857 -5.815 3.057 1.00 0.00 N ATOM 382 CA THR A 28 -4.821 -4.823 3.501 1.00 0.00 C ATOM 383 C THR A 28 -4.261 -3.412 3.310 1.00 0.00 C ATOM 384 O THR A 28 -3.060 -3.238 3.113 1.00 0.00 O ATOM 385 CB THR A 28 -5.190 -5.138 4.952 1.00 0.00 C ATOM 386 OG1 THR A 28 -3.974 -5.613 5.524 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.146 -6.327 5.069 1.00 0.00 C ATOM 0 H THR A 28 -2.931 -5.726 3.475 1.00 0.00 H new ATOM 0 HA THR A 28 -5.731 -4.862 2.903 1.00 0.00 H new ATOM 0 HB THR A 28 -5.646 -4.260 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.122 -5.839 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.375 -6.508 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.067 -6.108 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.678 -7.214 4.642 1.00 0.00 H new ATOM 395 N PRO A 29 -5.183 -2.414 3.375 1.00 0.00 N ATOM 396 CA PRO A 29 -4.793 -1.024 3.210 1.00 0.00 C ATOM 397 C PRO A 29 -4.088 -0.501 4.463 1.00 0.00 C ATOM 398 O PRO A 29 -3.686 0.661 4.513 1.00 0.00 O ATOM 399 CB PRO A 29 -6.088 -0.286 2.906 1.00 0.00 C ATOM 400 CG PRO A 29 -7.209 -1.204 3.368 1.00 0.00 C ATOM 401 CD PRO A 29 -6.615 -2.582 3.606 1.00 0.00 C ATOM 0 HA PRO A 29 -4.070 -0.882 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.125 0.670 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.174 -0.070 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.664 -0.821 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.997 -1.253 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.814 -2.929 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.042 -3.320 2.927 1.00 0.00 H new ATOM 406 N GLU A 30 -3.958 -1.383 5.442 1.00 0.00 N ATOM 407 CA GLU A 30 -3.307 -1.025 6.691 1.00 0.00 C ATOM 408 C GLU A 30 -1.839 -1.457 6.667 1.00 0.00 C ATOM 409 O GLU A 30 -1.126 -1.299 7.657 1.00 0.00 O ATOM 410 CB GLU A 30 -4.039 -1.637 7.887 1.00 0.00 C ATOM 411 CG GLU A 30 -4.319 -3.123 7.656 1.00 0.00 C ATOM 412 CD GLU A 30 -4.114 -3.925 8.943 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.958 -4.764 9.291 1.00 0.00 O ATOM 414 OE2 GLU A 30 -3.032 -3.653 9.590 1.00 0.00 O ATOM 0 H GLU A 30 -4.292 -2.346 5.396 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.345 0.059 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.439 -1.512 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.977 -1.108 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.341 -3.253 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.659 -3.504 6.876 1.00 0.00 H new ATOM 420 N LYS A 31 -1.431 -1.993 5.527 1.00 0.00 N ATOM 421 CA LYS A 31 -0.062 -2.449 5.362 1.00 0.00 C ATOM 422 C LYS A 31 0.888 -1.256 5.491 1.00 0.00 C ATOM 423 O LYS A 31 0.447 -0.108 5.517 1.00 0.00 O ATOM 424 CB LYS A 31 0.093 -3.217 4.047 1.00 0.00 C ATOM 425 CG LYS A 31 -0.652 -4.553 4.102 1.00 0.00 C ATOM 426 CD LYS A 31 0.326 -5.728 4.049 1.00 0.00 C ATOM 427 CE LYS A 31 0.088 -6.693 5.212 1.00 0.00 C ATOM 428 NZ LYS A 31 -0.759 -7.828 4.779 1.00 0.00 N ATOM 0 H LYS A 31 -2.025 -2.122 4.708 1.00 0.00 H new ATOM 0 HA LYS A 31 0.201 -3.154 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.291 -2.616 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.150 -3.394 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.242 -4.607 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.351 -4.619 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.212 -6.258 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.350 -5.355 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.042 -7.065 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.393 -6.167 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.939 -8.456 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.663 -7.467 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.271 -8.360 4.031 1.00 0.00 H new ATOM 437 N SER A 32 2.173 -1.569 5.570 1.00 0.00 N ATOM 438 CA SER A 32 3.188 -0.537 5.696 1.00 0.00 C ATOM 439 C SER A 32 4.245 -0.708 4.604 1.00 0.00 C ATOM 440 O SER A 32 5.282 -0.045 4.631 1.00 0.00 O ATOM 441 CB SER A 32 3.842 -0.574 7.079 1.00 0.00 C ATOM 442 OG SER A 32 4.075 0.734 7.595 1.00 0.00 O ATOM 0 H SER A 32 2.534 -2.523 5.549 1.00 0.00 H new ATOM 0 HA SER A 32 2.706 0.434 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.203 -1.127 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.787 -1.114 7.019 1.00 0.00 H new ATOM 0 HG SER A 32 4.492 0.667 8.479 1.00 0.00 H new ATOM 447 N PHE A 33 3.948 -1.598 3.670 1.00 0.00 N ATOM 448 CA PHE A 33 4.860 -1.863 2.571 1.00 0.00 C ATOM 449 C PHE A 33 5.991 -2.796 3.010 1.00 0.00 C ATOM 450 O PHE A 33 6.444 -3.637 2.235 1.00 0.00 O ATOM 451 CB PHE A 33 5.458 -0.518 2.151 1.00 0.00 C ATOM 452 CG PHE A 33 5.634 -0.360 0.640 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.556 -0.450 -0.184 1.00 0.00 C ATOM 454 CD2 PHE A 33 6.870 -0.130 0.119 1.00 0.00 C ATOM 455 CE1 PHE A 33 4.719 -0.304 -1.587 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.033 0.016 -1.284 1.00 0.00 C ATOM 457 CZ PHE A 33 5.955 -0.074 -2.107 1.00 0.00 C ATOM 0 H PHE A 33 3.088 -2.146 3.651 1.00 0.00 H new ATOM 0 HA PHE A 33 4.326 -2.344 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.817 0.283 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.428 -0.396 2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.575 -0.633 0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.727 -0.059 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.862 -0.375 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.014 0.199 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.080 0.037 -3.174 1.00 0.00 H new ATOM 466 N VAL A 34 6.416 -2.615 4.253 1.00 0.00 N ATOM 467 CA VAL A 34 7.484 -3.430 4.804 1.00 0.00 C ATOM 468 C VAL A 34 7.109 -3.864 6.222 1.00 0.00 C ATOM 469 O VAL A 34 7.066 -5.057 6.518 1.00 0.00 O ATOM 470 CB VAL A 34 8.809 -2.666 4.743 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.531 -2.712 6.092 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.703 -3.206 3.625 1.00 0.00 C ATOM 0 H VAL A 34 6.039 -1.916 4.893 1.00 0.00 H new ATOM 0 HA VAL A 34 7.618 -4.335 4.212 1.00 0.00 H new ATOM 0 HB VAL A 34 8.584 -1.623 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.469 -2.162 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.901 -2.259 6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.737 -3.748 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.638 -2.646 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.916 -4.260 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.193 -3.098 2.667 1.00 0.00 H new ATOM 482 N ASP A 35 6.847 -2.872 7.060 1.00 0.00 N ATOM 483 CA ASP A 35 6.476 -3.138 8.440 1.00 0.00 C ATOM 484 C ASP A 35 5.546 -4.351 8.490 1.00 0.00 C ATOM 485 O ASP A 35 5.534 -5.089 9.474 1.00 0.00 O ATOM 486 CB ASP A 35 5.732 -1.947 9.049 1.00 0.00 C ATOM 487 CG ASP A 35 5.863 -1.810 10.567 1.00 0.00 C ATOM 488 OD1 ASP A 35 5.581 -2.755 11.320 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.279 -0.661 10.978 1.00 0.00 O ATOM 0 H ASP A 35 6.884 -1.884 6.811 1.00 0.00 H new ATOM 0 HA ASP A 35 7.390 -3.321 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.099 -1.032 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.675 -2.031 8.797 1.00 0.00 H new ATOM 494 N ASP A 36 4.789 -4.521 7.416 1.00 0.00 N ATOM 495 CA ASP A 36 3.858 -5.633 7.325 1.00 0.00 C ATOM 496 C ASP A 36 4.420 -6.686 6.368 1.00 0.00 C ATOM 497 O ASP A 36 4.785 -7.782 6.790 1.00 0.00 O ATOM 498 CB ASP A 36 2.504 -5.174 6.782 1.00 0.00 C ATOM 499 CG ASP A 36 1.297 -5.571 7.634 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.527 -4.712 8.089 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.159 -6.838 7.828 1.00 0.00 O ATOM 0 H ASP A 36 4.801 -3.907 6.601 1.00 0.00 H new ATOM 0 HA ASP A 36 3.724 -6.044 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.518 -4.089 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.373 -5.584 5.781 1.00 0.00 H new ATOM 506 N LEU A 37 4.472 -6.316 5.097 1.00 0.00 N ATOM 507 CA LEU A 37 4.983 -7.215 4.076 1.00 0.00 C ATOM 508 C LEU A 37 6.264 -7.880 4.583 1.00 0.00 C ATOM 509 O LEU A 37 6.356 -9.106 4.626 1.00 0.00 O ATOM 510 CB LEU A 37 5.158 -6.474 2.749 1.00 0.00 C ATOM 511 CG LEU A 37 3.871 -6.020 2.059 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.180 -5.142 0.844 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.994 -7.218 1.692 1.00 0.00 C ATOM 0 H LEU A 37 4.169 -5.406 4.751 1.00 0.00 H new ATOM 0 HA LEU A 37 4.267 -8.012 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.781 -5.597 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.705 -7.121 2.064 1.00 0.00 H new ATOM 0 HG LEU A 37 3.304 -5.409 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.247 -4.833 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.734 -4.260 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.779 -5.707 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.085 -6.867 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.540 -7.875 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.731 -7.767 2.596 1.00 0.00 H new ATOM 524 N ASP A 38 7.221 -7.042 4.955 1.00 0.00 N ATOM 525 CA ASP A 38 8.492 -7.533 5.458 1.00 0.00 C ATOM 526 C ASP A 38 9.276 -8.174 4.311 1.00 0.00 C ATOM 527 O ASP A 38 10.244 -8.898 4.543 1.00 0.00 O ATOM 528 CB ASP A 38 8.284 -8.594 6.540 1.00 0.00 C ATOM 529 CG ASP A 38 9.278 -8.538 7.701 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.971 -8.010 8.780 1.00 0.00 O ATOM 531 OD2 ASP A 38 10.428 -9.072 7.460 1.00 0.00 O ATOM 0 H ASP A 38 7.141 -6.026 4.918 1.00 0.00 H new ATOM 0 HA ASP A 38 9.036 -6.689 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.275 -8.490 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.344 -9.579 6.078 1.00 0.00 H new ATOM 536 N ILE A 39 8.828 -7.888 3.097 1.00 0.00 N ATOM 537 CA ILE A 39 9.475 -8.428 1.914 1.00 0.00 C ATOM 538 C ILE A 39 10.491 -7.414 1.385 1.00 0.00 C ATOM 539 O ILE A 39 11.386 -7.768 0.620 1.00 0.00 O ATOM 540 CB ILE A 39 8.431 -8.849 0.878 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.935 -10.023 0.036 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.010 -7.662 0.009 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.219 -9.653 -0.709 1.00 0.00 C ATOM 0 H ILE A 39 8.024 -7.289 2.908 1.00 0.00 H new ATOM 0 HA ILE A 39 10.028 -9.334 2.163 1.00 0.00 H new ATOM 0 HB ILE A 39 7.543 -9.191 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.119 -10.884 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.167 -10.318 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.267 -7.989 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.581 -6.883 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.881 -7.267 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.555 -10.505 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.026 -8.808 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.992 -9.382 0.010 1.00 0.00 H new ATOM 554 N ASP A 40 10.319 -6.172 1.817 1.00 0.00 N ATOM 555 CA ASP A 40 11.211 -5.104 1.397 1.00 0.00 C ATOM 556 C ASP A 40 10.675 -4.477 0.108 1.00 0.00 C ATOM 557 O ASP A 40 9.557 -4.770 -0.312 1.00 0.00 O ATOM 558 CB ASP A 40 12.616 -5.639 1.114 1.00 0.00 C ATOM 559 CG ASP A 40 13.747 -4.634 1.339 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.439 -4.227 0.394 1.00 0.00 O ATOM 561 OD2 ASP A 40 13.911 -4.263 2.564 1.00 0.00 O ATOM 0 H ASP A 40 9.576 -5.882 2.453 1.00 0.00 H new ATOM 0 HA ASP A 40 11.261 -4.369 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.792 -6.509 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.656 -5.983 0.081 1.00 0.00 H new ATOM 566 N SER A 41 11.499 -3.624 -0.483 1.00 0.00 N ATOM 567 CA SER A 41 11.123 -2.952 -1.715 1.00 0.00 C ATOM 568 C SER A 41 11.547 -3.794 -2.921 1.00 0.00 C ATOM 569 O SER A 41 11.384 -3.371 -4.065 1.00 0.00 O ATOM 570 CB SER A 41 11.748 -1.557 -1.795 1.00 0.00 C ATOM 571 OG SER A 41 11.229 -0.682 -0.798 1.00 0.00 O ATOM 0 H SER A 41 12.426 -3.383 -0.131 1.00 0.00 H new ATOM 0 HA SER A 41 10.039 -2.836 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.829 -1.637 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.563 -1.133 -2.782 1.00 0.00 H new ATOM 0 HG SER A 41 11.654 0.197 -0.881 1.00 0.00 H new ATOM 576 N LEU A 42 12.081 -4.969 -2.623 1.00 0.00 N ATOM 577 CA LEU A 42 12.529 -5.873 -3.668 1.00 0.00 C ATOM 578 C LEU A 42 11.319 -6.363 -4.466 1.00 0.00 C ATOM 579 O LEU A 42 11.183 -6.052 -5.648 1.00 0.00 O ATOM 580 CB LEU A 42 13.372 -7.003 -3.073 1.00 0.00 C ATOM 581 CG LEU A 42 14.835 -7.054 -3.518 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.770 -7.183 -2.314 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.060 -8.170 -4.540 1.00 0.00 C ATOM 0 H LEU A 42 12.213 -5.316 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 42 13.183 -5.353 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.346 -6.916 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.902 -7.953 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 42 15.074 -6.112 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.804 -7.217 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.635 -6.325 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.538 -8.099 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.108 -8.184 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.797 -9.130 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.435 -7.993 -5.415 1.00 0.00 H new ATOM 594 N SER A 43 10.470 -7.122 -3.787 1.00 0.00 N ATOM 595 CA SER A 43 9.276 -7.658 -4.418 1.00 0.00 C ATOM 596 C SER A 43 8.353 -6.515 -4.847 1.00 0.00 C ATOM 597 O SER A 43 7.911 -6.467 -5.993 1.00 0.00 O ATOM 598 CB SER A 43 8.538 -8.613 -3.478 1.00 0.00 C ATOM 599 OG SER A 43 7.856 -9.641 -4.190 1.00 0.00 O ATOM 0 H SER A 43 10.586 -7.378 -2.806 1.00 0.00 H new ATOM 0 HA SER A 43 9.579 -8.222 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.250 -9.062 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.822 -8.051 -2.879 1.00 0.00 H new ATOM 0 HG SER A 43 8.201 -10.515 -3.913 1.00 0.00 H new ATOM 604 N MET A 44 8.090 -5.624 -3.903 1.00 0.00 N ATOM 605 CA MET A 44 7.228 -4.486 -4.168 1.00 0.00 C ATOM 606 C MET A 44 7.538 -3.869 -5.533 1.00 0.00 C ATOM 607 O MET A 44 6.627 -3.524 -6.284 1.00 0.00 O ATOM 608 CB MET A 44 7.422 -3.432 -3.076 1.00 0.00 C ATOM 609 CG MET A 44 6.463 -3.670 -1.908 1.00 0.00 C ATOM 610 SD MET A 44 6.902 -5.174 -1.052 1.00 0.00 S ATOM 611 CE MET A 44 5.691 -6.287 -1.741 1.00 0.00 C ATOM 0 H MET A 44 8.459 -5.667 -2.953 1.00 0.00 H new ATOM 0 HA MET A 44 6.194 -4.831 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.451 -3.460 -2.718 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.256 -2.438 -3.491 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.500 -2.826 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.439 -3.737 -2.276 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.433 -7.047 -1.003 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.796 -5.728 -2.013 1.00 0.00 H new ATOM 0 HE3 MET A 44 6.102 -6.768 -2.628 1.00 0.00 H new ATOM 619 N VAL A 45 8.827 -3.749 -5.814 1.00 0.00 N ATOM 620 CA VAL A 45 9.269 -3.180 -7.075 1.00 0.00 C ATOM 621 C VAL A 45 8.587 -3.917 -8.229 1.00 0.00 C ATOM 622 O VAL A 45 8.212 -3.304 -9.227 1.00 0.00 O ATOM 623 CB VAL A 45 10.796 -3.219 -7.160 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.264 -3.257 -8.617 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.417 -2.036 -6.416 1.00 0.00 C ATOM 0 H VAL A 45 9.580 -4.037 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 45 8.980 -2.131 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 45 11.135 -4.135 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.353 -3.284 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.864 -4.146 -9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.908 -2.367 -9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.503 -2.088 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.066 -1.103 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.125 -2.072 -5.367 1.00 0.00 H new ATOM 635 N GLU A 46 8.446 -5.223 -8.054 1.00 0.00 N ATOM 636 CA GLU A 46 7.816 -6.050 -9.068 1.00 0.00 C ATOM 637 C GLU A 46 6.306 -5.799 -9.095 1.00 0.00 C ATOM 638 O GLU A 46 5.740 -5.508 -10.148 1.00 0.00 O ATOM 639 CB GLU A 46 8.121 -7.531 -8.835 1.00 0.00 C ATOM 640 CG GLU A 46 8.897 -8.123 -10.014 1.00 0.00 C ATOM 641 CD GLU A 46 10.402 -8.117 -9.737 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.902 -7.218 -9.045 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.058 -9.092 -10.270 1.00 0.00 O ATOM 0 H GLU A 46 8.758 -5.728 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 46 8.228 -5.776 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.700 -7.647 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.190 -8.080 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.562 -9.143 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.687 -7.550 -10.917 1.00 0.00 H new ATOM 649 N ILE A 47 5.698 -5.922 -7.925 1.00 0.00 N ATOM 650 CA ILE A 47 4.265 -5.712 -7.800 1.00 0.00 C ATOM 651 C ILE A 47 3.875 -4.437 -8.549 1.00 0.00 C ATOM 652 O ILE A 47 2.778 -4.348 -9.100 1.00 0.00 O ATOM 653 CB ILE A 47 3.849 -5.711 -6.327 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.716 -7.140 -5.796 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.569 -4.901 -6.120 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.448 -7.297 -4.460 1.00 0.00 C ATOM 0 H ILE A 47 6.171 -6.164 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 47 3.718 -6.534 -8.261 1.00 0.00 H new ATOM 0 HB ILE A 47 4.634 -5.224 -5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.662 -7.389 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.124 -7.842 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.295 -4.916 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.735 -3.871 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.763 -5.337 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.339 -8.321 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.506 -7.071 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.021 -6.611 -3.729 1.00 0.00 H new ATOM 667 N ALA A 48 4.792 -3.481 -8.547 1.00 0.00 N ATOM 668 CA ALA A 48 4.558 -2.216 -9.220 1.00 0.00 C ATOM 669 C ALA A 48 4.788 -2.391 -10.722 1.00 0.00 C ATOM 670 O ALA A 48 3.938 -2.025 -11.532 1.00 0.00 O ATOM 671 CB ALA A 48 5.459 -1.139 -8.614 1.00 0.00 C ATOM 0 H ALA A 48 5.700 -3.558 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 48 3.526 -1.894 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.282 -0.190 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.235 -1.032 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.503 -1.427 -8.737 1.00 0.00 H new ATOM 677 N VAL A 49 5.943 -2.951 -11.050 1.00 0.00 N ATOM 678 CA VAL A 49 6.297 -3.180 -12.441 1.00 0.00 C ATOM 679 C VAL A 49 5.111 -3.821 -13.165 1.00 0.00 C ATOM 680 O VAL A 49 4.974 -3.684 -14.379 1.00 0.00 O ATOM 681 CB VAL A 49 7.574 -4.018 -12.525 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.246 -5.503 -12.691 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.478 -3.526 -13.657 1.00 0.00 C ATOM 0 H VAL A 49 6.646 -3.253 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 49 6.511 -2.236 -12.942 1.00 0.00 H new ATOM 0 HB VAL A 49 8.116 -3.898 -11.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.172 -6.076 -12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.660 -5.844 -11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.672 -5.649 -13.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.379 -4.138 -13.695 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.947 -3.602 -14.606 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.753 -2.487 -13.477 1.00 0.00 H new ATOM 693 N GLN A 50 4.286 -4.509 -12.388 1.00 0.00 N ATOM 694 CA GLN A 50 3.117 -5.173 -12.941 1.00 0.00 C ATOM 695 C GLN A 50 1.913 -4.230 -12.919 1.00 0.00 C ATOM 696 O GLN A 50 1.339 -3.925 -13.964 1.00 0.00 O ATOM 697 CB GLN A 50 2.814 -6.468 -12.184 1.00 0.00 C ATOM 698 CG GLN A 50 4.004 -7.427 -12.242 1.00 0.00 C ATOM 699 CD GLN A 50 3.609 -8.821 -11.749 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.835 -9.020 -10.453 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 3.129 -9.659 -12.494 1.00 0.00 N flip ATOM 0 H GLN A 50 4.404 -4.621 -11.381 1.00 0.00 H new ATOM 0 HA GLN A 50 3.328 -5.438 -13.977 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.577 -6.239 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.934 -6.948 -12.614 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.375 -7.491 -13.265 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.819 -7.039 -11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.982 -9.441 -13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.875 -10.578 -12.132 1.00 0.00 H new ATOM 708 N THR A 51 1.563 -3.794 -11.717 1.00 0.00 N ATOM 709 CA THR A 51 0.437 -2.892 -11.547 1.00 0.00 C ATOM 710 C THR A 51 0.576 -1.684 -12.475 1.00 0.00 C ATOM 711 O THR A 51 -0.415 -1.190 -13.009 1.00 0.00 O ATOM 712 CB THR A 51 0.353 -2.517 -10.066 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.129 -3.698 -9.434 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.733 -1.475 -9.787 1.00 0.00 C ATOM 0 H THR A 51 2.040 -4.049 -10.852 1.00 0.00 H new ATOM 0 HA THR A 51 -0.501 -3.371 -11.829 1.00 0.00 H new ATOM 0 HB THR A 51 1.318 -2.134 -9.734 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.629 -4.240 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.751 -1.244 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.520 -0.567 -10.352 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.703 -1.871 -10.089 1.00 0.00 H new ATOM 722 N GLU A 52 1.814 -1.241 -12.635 1.00 0.00 N ATOM 723 CA GLU A 52 2.096 -0.100 -13.489 1.00 0.00 C ATOM 724 C GLU A 52 2.058 -0.515 -14.961 1.00 0.00 C ATOM 725 O GLU A 52 2.286 0.306 -15.848 1.00 0.00 O ATOM 726 CB GLU A 52 3.444 0.532 -13.133 1.00 0.00 C ATOM 727 CG GLU A 52 3.299 2.037 -12.900 1.00 0.00 C ATOM 728 CD GLU A 52 4.122 2.831 -13.916 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.270 2.462 -14.207 1.00 0.00 O ATOM 730 OE2 GLU A 52 3.530 3.866 -14.408 1.00 0.00 O ATOM 0 H GLU A 52 2.633 -1.652 -12.188 1.00 0.00 H new ATOM 0 HA GLU A 52 1.324 0.651 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.846 0.059 -12.237 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.158 0.352 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.249 2.321 -12.976 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.624 2.285 -11.890 1.00 0.00 H new ATOM 736 N ASP A 53 1.767 -1.790 -15.176 1.00 0.00 N ATOM 737 CA ASP A 53 1.695 -2.324 -16.525 1.00 0.00 C ATOM 738 C ASP A 53 0.294 -2.885 -16.773 1.00 0.00 C ATOM 739 O ASP A 53 -0.431 -2.395 -17.638 1.00 0.00 O ATOM 740 CB ASP A 53 2.701 -3.460 -16.722 1.00 0.00 C ATOM 741 CG ASP A 53 3.559 -3.352 -17.984 1.00 0.00 C ATOM 742 OD1 ASP A 53 4.788 -3.203 -17.910 1.00 0.00 O ATOM 743 OD2 ASP A 53 2.907 -3.428 -19.095 1.00 0.00 O ATOM 0 H ASP A 53 1.578 -2.469 -14.438 1.00 0.00 H new ATOM 0 HA ASP A 53 1.923 -1.516 -17.220 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.360 -3.496 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.158 -4.405 -16.749 1.00 0.00 H new ATOM 748 N LYS A 54 -0.046 -3.905 -15.999 1.00 0.00 N ATOM 749 CA LYS A 54 -1.348 -4.539 -16.124 1.00 0.00 C ATOM 750 C LYS A 54 -2.436 -3.463 -16.126 1.00 0.00 C ATOM 751 O LYS A 54 -3.394 -3.545 -16.893 1.00 0.00 O ATOM 752 CB LYS A 54 -1.535 -5.598 -15.036 1.00 0.00 C ATOM 753 CG LYS A 54 -1.093 -6.977 -15.534 1.00 0.00 C ATOM 754 CD LYS A 54 -0.841 -7.928 -14.362 1.00 0.00 C ATOM 755 CE LYS A 54 -1.157 -9.373 -14.750 1.00 0.00 C ATOM 756 NZ LYS A 54 0.091 -10.130 -14.993 1.00 0.00 N ATOM 0 H LYS A 54 0.558 -4.309 -15.283 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.422 -5.072 -17.072 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.958 -5.324 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.582 -5.634 -14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.859 -7.394 -16.187 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.185 -6.879 -16.129 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.199 -7.852 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.456 -7.633 -13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.731 -9.852 -13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.778 -9.388 -15.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.142 -11.109 -15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.624 -9.682 -15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.670 -10.132 -14.129 1.00 0.00 H new ATOM 765 N TYR A 55 -2.251 -2.479 -15.259 1.00 0.00 N ATOM 766 CA TYR A 55 -3.206 -1.387 -15.150 1.00 0.00 C ATOM 767 C TYR A 55 -2.656 -0.113 -15.796 1.00 0.00 C ATOM 768 O TYR A 55 -3.372 0.579 -16.518 1.00 0.00 O ATOM 769 CB TYR A 55 -3.399 -1.143 -13.652 1.00 0.00 C ATOM 770 CG TYR A 55 -4.713 -1.696 -13.097 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.913 -1.329 -13.668 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.696 -2.564 -12.023 1.00 0.00 C ATOM 773 CE1 TYR A 55 -7.149 -1.851 -13.145 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.933 -3.085 -11.500 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.098 -2.703 -12.087 1.00 0.00 C ATOM 776 OH TYR A 55 -8.266 -3.195 -11.593 1.00 0.00 O ATOM 0 H TYR A 55 -1.455 -2.414 -14.625 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.138 -1.640 -15.655 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.568 -1.596 -13.110 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.358 -0.071 -13.460 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.926 -0.650 -14.508 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.756 -2.852 -11.576 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.096 -1.572 -13.584 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.935 -3.764 -10.660 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.075 -3.919 -10.961 1.00 0.00 H new ATOM 785 N GLY A 56 -1.390 0.158 -15.512 1.00 0.00 N ATOM 786 CA GLY A 56 -0.737 1.336 -16.056 1.00 0.00 C ATOM 787 C GLY A 56 -0.769 2.492 -15.053 1.00 0.00 C ATOM 788 O GLY A 56 -0.729 3.658 -15.443 1.00 0.00 O ATOM 0 H GLY A 56 -0.800 -0.418 -14.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.296 1.099 -16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.232 1.637 -16.979 1.00 0.00 H new ATOM 792 N VAL A 57 -0.838 2.128 -13.781 1.00 0.00 N ATOM 793 CA VAL A 57 -0.875 3.120 -12.721 1.00 0.00 C ATOM 794 C VAL A 57 0.343 4.038 -12.844 1.00 0.00 C ATOM 795 O VAL A 57 1.085 3.962 -13.821 1.00 0.00 O ATOM 796 CB VAL A 57 -0.965 2.427 -11.359 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.099 1.399 -11.341 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.368 1.778 -10.984 1.00 0.00 C ATOM 0 H VAL A 57 -0.869 1.160 -13.461 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.764 3.744 -12.814 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.189 3.187 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.141 0.921 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.047 1.899 -11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.918 0.644 -12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.276 1.293 -10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.636 1.036 -11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.144 2.542 -10.936 1.00 0.00 H new ATOM 808 N LYS A 58 0.511 4.884 -11.839 1.00 0.00 N ATOM 809 CA LYS A 58 1.625 5.816 -11.822 1.00 0.00 C ATOM 810 C LYS A 58 2.257 5.825 -10.429 1.00 0.00 C ATOM 811 O LYS A 58 1.673 6.352 -9.482 1.00 0.00 O ATOM 812 CB LYS A 58 1.176 7.197 -12.303 1.00 0.00 C ATOM 813 CG LYS A 58 2.346 8.184 -12.307 1.00 0.00 C ATOM 814 CD LYS A 58 1.920 9.543 -11.750 1.00 0.00 C ATOM 815 CE LYS A 58 1.814 9.503 -10.224 1.00 0.00 C ATOM 816 NZ LYS A 58 2.840 10.376 -9.611 1.00 0.00 N ATOM 0 H LYS A 58 -0.107 4.944 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 58 2.399 5.497 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.759 7.118 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.382 7.571 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.166 7.784 -11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.721 8.305 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.641 10.304 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.959 9.830 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.820 9.826 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.941 8.479 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.755 10.338 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.787 10.050 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.701 11.355 -9.934 1.00 0.00 H new ATOM 825 N ILE A 59 3.441 5.236 -10.346 1.00 0.00 N ATOM 826 CA ILE A 59 4.157 5.170 -9.084 1.00 0.00 C ATOM 827 C ILE A 59 5.657 5.040 -9.360 1.00 0.00 C ATOM 828 O ILE A 59 6.197 3.935 -9.364 1.00 0.00 O ATOM 829 CB ILE A 59 3.595 4.050 -8.207 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.096 4.241 -7.967 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.374 3.936 -6.895 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.568 3.227 -6.950 1.00 0.00 C ATOM 0 H ILE A 59 3.922 4.800 -11.133 1.00 0.00 H new ATOM 0 HA ILE A 59 4.015 6.090 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 59 3.719 3.107 -8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.908 5.253 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.557 4.132 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.953 3.132 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.420 3.719 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.304 4.876 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.500 3.386 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.735 2.217 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.092 3.355 -6.003 1.00 0.00 H new ATOM 843 N PRO A 60 6.303 6.215 -9.589 1.00 0.00 N ATOM 844 CA PRO A 60 7.729 6.243 -9.866 1.00 0.00 C ATOM 845 C PRO A 60 8.540 6.007 -8.590 1.00 0.00 C ATOM 846 O PRO A 60 7.989 6.022 -7.489 1.00 0.00 O ATOM 847 CB PRO A 60 7.982 7.607 -10.486 1.00 0.00 C ATOM 848 CG PRO A 60 6.785 8.465 -10.111 1.00 0.00 C ATOM 849 CD PRO A 60 5.694 7.542 -9.592 1.00 0.00 C ATOM 0 HA PRO A 60 8.042 5.448 -10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.907 8.042 -10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.084 7.531 -11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.062 9.195 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.431 9.026 -10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.372 7.832 -8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.812 7.572 -10.232 1.00 0.00 H new ATOM 854 N ASP A 61 9.833 5.794 -8.780 1.00 0.00 N ATOM 855 CA ASP A 61 10.725 5.555 -7.658 1.00 0.00 C ATOM 856 C ASP A 61 10.765 6.800 -6.770 1.00 0.00 C ATOM 857 O ASP A 61 10.770 6.693 -5.544 1.00 0.00 O ATOM 858 CB ASP A 61 12.149 5.270 -8.136 1.00 0.00 C ATOM 859 CG ASP A 61 12.572 3.801 -8.070 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.520 3.075 -9.074 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.974 3.402 -6.911 1.00 0.00 O ATOM 0 H ASP A 61 10.285 5.782 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 61 10.350 4.692 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.246 5.614 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.842 5.859 -7.536 1.00 0.00 H new ATOM 866 N GLU A 62 10.794 7.952 -7.423 1.00 0.00 N ATOM 867 CA GLU A 62 10.833 9.217 -6.707 1.00 0.00 C ATOM 868 C GLU A 62 9.660 9.312 -5.731 1.00 0.00 C ATOM 869 O GLU A 62 9.677 10.129 -4.811 1.00 0.00 O ATOM 870 CB GLU A 62 10.834 10.398 -7.681 1.00 0.00 C ATOM 871 CG GLU A 62 12.203 10.562 -8.343 1.00 0.00 C ATOM 872 CD GLU A 62 12.561 12.041 -8.503 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.063 12.702 -9.426 1.00 0.00 O ATOM 874 OE2 GLU A 62 13.388 12.500 -7.626 1.00 0.00 O ATOM 0 H GLU A 62 10.791 8.037 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 62 11.760 9.259 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.073 10.244 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.571 11.313 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.963 10.063 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.199 10.077 -9.319 1.00 0.00 H new ATOM 880 N ASP A 63 8.667 8.467 -5.964 1.00 0.00 N ATOM 881 CA ASP A 63 7.487 8.444 -5.117 1.00 0.00 C ATOM 882 C ASP A 63 7.461 7.139 -4.320 1.00 0.00 C ATOM 883 O ASP A 63 6.985 7.109 -3.186 1.00 0.00 O ATOM 884 CB ASP A 63 6.207 8.514 -5.952 1.00 0.00 C ATOM 885 CG ASP A 63 5.384 9.790 -5.768 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.197 9.841 -6.125 1.00 0.00 O ATOM 887 OD2 ASP A 63 6.016 10.774 -5.223 1.00 0.00 O ATOM 0 H ASP A 63 8.655 7.792 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 63 7.532 9.308 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.472 8.420 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.581 7.657 -5.703 1.00 0.00 H new ATOM 892 N LEU A 64 7.978 6.091 -4.944 1.00 0.00 N ATOM 893 CA LEU A 64 8.020 4.785 -4.307 1.00 0.00 C ATOM 894 C LEU A 64 8.813 4.884 -3.003 1.00 0.00 C ATOM 895 O LEU A 64 8.721 4.005 -2.149 1.00 0.00 O ATOM 896 CB LEU A 64 8.562 3.733 -5.277 1.00 0.00 C ATOM 897 CG LEU A 64 8.089 2.297 -5.041 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.642 1.748 -3.725 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.563 2.205 -5.106 1.00 0.00 C ATOM 0 H LEU A 64 8.372 6.119 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 64 7.014 4.456 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.284 4.024 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.651 3.749 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 64 8.483 1.671 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.291 0.726 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.732 1.756 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.298 2.370 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.253 1.174 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.127 2.847 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.221 2.529 -6.089 1.00 0.00 H new ATOM 910 N ALA A 65 9.574 5.963 -2.891 1.00 0.00 N ATOM 911 CA ALA A 65 10.383 6.188 -1.705 1.00 0.00 C ATOM 912 C ALA A 65 9.487 6.688 -0.569 1.00 0.00 C ATOM 913 O ALA A 65 9.730 6.384 0.598 1.00 0.00 O ATOM 914 CB ALA A 65 11.509 7.171 -2.033 1.00 0.00 C ATOM 0 H ALA A 65 9.647 6.691 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 65 10.847 5.258 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.116 7.340 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.134 6.758 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.081 8.117 -2.365 1.00 0.00 H new ATOM 920 N GLY A 66 8.469 7.445 -0.951 1.00 0.00 N ATOM 921 CA GLY A 66 7.536 7.989 0.020 1.00 0.00 C ATOM 922 C GLY A 66 6.476 6.953 0.403 1.00 0.00 C ATOM 923 O GLY A 66 6.154 6.795 1.579 1.00 0.00 O ATOM 0 H GLY A 66 8.270 7.694 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.077 8.307 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.052 8.874 -0.392 1.00 0.00 H new ATOM 927 N LEU A 67 5.964 6.275 -0.613 1.00 0.00 N ATOM 928 CA LEU A 67 4.948 5.259 -0.399 1.00 0.00 C ATOM 929 C LEU A 67 5.290 4.460 0.861 1.00 0.00 C ATOM 930 O LEU A 67 6.273 3.721 0.884 1.00 0.00 O ATOM 931 CB LEU A 67 4.783 4.393 -1.650 1.00 0.00 C ATOM 932 CG LEU A 67 4.213 5.097 -2.882 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.651 4.085 -3.882 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.173 6.146 -2.482 1.00 0.00 C ATOM 0 H LEU A 67 6.234 6.409 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 67 3.976 5.722 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.756 3.978 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.134 3.553 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 67 5.027 5.624 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.252 4.613 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.445 3.410 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.855 3.510 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.784 6.632 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.356 5.663 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.638 6.892 -1.837 1.00 0.00 H new ATOM 945 N ARG A 68 4.459 4.635 1.877 1.00 0.00 N ATOM 946 CA ARG A 68 4.660 3.940 3.137 1.00 0.00 C ATOM 947 C ARG A 68 3.600 2.852 3.319 1.00 0.00 C ATOM 948 O ARG A 68 3.893 1.773 3.830 1.00 0.00 O ATOM 949 CB ARG A 68 4.595 4.910 4.318 1.00 0.00 C ATOM 950 CG ARG A 68 5.957 5.032 5.005 1.00 0.00 C ATOM 951 CD ARG A 68 5.852 4.696 6.494 1.00 0.00 C ATOM 952 NE ARG A 68 6.881 5.441 7.254 1.00 0.00 N ATOM 953 CZ ARG A 68 6.758 6.732 7.628 1.00 0.00 C ATOM 954 NH1 ARG A 68 5.649 7.434 7.313 1.00 0.00 N ATOM 955 NH2 ARG A 68 7.740 7.299 8.305 1.00 0.00 N ATOM 0 H ARG A 68 3.644 5.248 1.854 1.00 0.00 H new ATOM 0 HA ARG A 68 5.650 3.485 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.270 5.891 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.851 4.564 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.671 4.361 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.340 6.045 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.859 4.951 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.982 3.624 6.644 1.00 0.00 H new ATOM 0 HE ARG A 68 7.736 4.948 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.896 6.989 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.564 8.409 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.575 6.762 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.663 8.274 8.595 1.00 0.00 H new ATOM 964 N THR A 69 2.388 3.176 2.893 1.00 0.00 N ATOM 965 CA THR A 69 1.281 2.241 3.002 1.00 0.00 C ATOM 966 C THR A 69 0.460 2.232 1.712 1.00 0.00 C ATOM 967 O THR A 69 0.727 3.010 0.797 1.00 0.00 O ATOM 968 CB THR A 69 0.464 2.617 4.241 1.00 0.00 C ATOM 969 OG1 THR A 69 0.128 3.986 4.031 1.00 0.00 O ATOM 970 CG2 THR A 69 1.308 2.632 5.517 1.00 0.00 C ATOM 0 H THR A 69 2.148 4.073 2.472 1.00 0.00 H new ATOM 0 HA THR A 69 1.638 1.219 3.129 1.00 0.00 H new ATOM 0 HB THR A 69 -0.360 1.914 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.404 4.312 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.680 2.905 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.733 1.642 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.113 3.360 5.412 1.00 0.00 H new ATOM 978 N VAL A 70 -0.523 1.343 1.679 1.00 0.00 N ATOM 979 CA VAL A 70 -1.385 1.223 0.516 1.00 0.00 C ATOM 980 C VAL A 70 -2.055 2.571 0.243 1.00 0.00 C ATOM 981 O VAL A 70 -2.072 3.041 -0.895 1.00 0.00 O ATOM 982 CB VAL A 70 -2.388 0.087 0.723 1.00 0.00 C ATOM 983 CG1 VAL A 70 -3.061 -0.297 -0.596 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.716 -1.126 1.371 1.00 0.00 C ATOM 0 H VAL A 70 -0.741 0.699 2.440 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.801 0.965 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.163 0.443 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.769 -1.107 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.590 0.567 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.304 -0.625 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.451 -1.919 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.912 -1.483 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.306 -0.841 2.340 1.00 0.00 H new ATOM 994 N GLY A 71 -2.593 3.155 1.303 1.00 0.00 N ATOM 995 CA GLY A 71 -3.263 4.439 1.192 1.00 0.00 C ATOM 996 C GLY A 71 -2.381 5.457 0.467 1.00 0.00 C ATOM 997 O GLY A 71 -2.873 6.254 -0.331 1.00 0.00 O ATOM 0 H GLY A 71 -2.578 2.762 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.203 4.317 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.512 4.811 2.186 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.093 5.398 0.772 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.137 6.305 0.159 1.00 0.00 C ATOM 1003 C ASP A 72 0.230 5.789 -1.234 1.00 0.00 C ATOM 1004 O ASP A 72 0.531 6.574 -2.132 1.00 0.00 O ATOM 1005 CB ASP A 72 1.148 6.391 0.984 1.00 0.00 C ATOM 1006 CG ASP A 72 1.827 7.763 0.983 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.445 8.663 0.220 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.800 7.890 1.821 1.00 0.00 O ATOM 0 H ASP A 72 -0.689 4.737 1.435 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.597 7.292 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.920 6.116 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.855 5.652 0.606 1.00 0.00 H new ATOM 1013 N VAL A 73 0.193 4.471 -1.370 1.00 0.00 N ATOM 1014 CA VAL A 73 0.518 3.840 -2.638 1.00 0.00 C ATOM 1015 C VAL A 73 -0.679 3.959 -3.583 1.00 0.00 C ATOM 1016 O VAL A 73 -0.552 3.723 -4.784 1.00 0.00 O ATOM 1017 CB VAL A 73 0.955 2.393 -2.406 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.395 1.736 -3.716 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.064 2.317 -1.354 1.00 0.00 C ATOM 0 H VAL A 73 -0.057 3.823 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 73 1.359 4.347 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 73 0.095 1.840 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.701 0.708 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.565 1.741 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.233 2.291 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.356 1.277 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.926 2.892 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.701 2.727 -0.412 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.814 4.325 -3.007 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.032 4.478 -3.783 1.00 0.00 C ATOM 1031 C VAL A 74 -3.221 5.953 -4.144 1.00 0.00 C ATOM 1032 O VAL A 74 -3.328 6.299 -5.319 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.220 3.895 -3.013 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.532 4.139 -3.762 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -4.015 2.405 -2.735 1.00 0.00 C ATOM 0 H VAL A 74 -1.916 4.520 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.961 3.921 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.282 4.409 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.360 3.715 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.687 5.211 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.485 3.665 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.873 2.016 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.914 1.869 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.112 2.267 -2.141 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.255 6.782 -3.111 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.428 8.212 -3.305 1.00 0.00 C ATOM 1047 C ALA A 75 -2.483 8.691 -4.411 1.00 0.00 C ATOM 1048 O ALA A 75 -2.924 9.277 -5.397 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.190 8.940 -1.981 1.00 0.00 C ATOM 0 H ALA A 75 -3.166 6.491 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.447 8.435 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.320 10.012 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.904 8.586 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.176 8.741 -1.634 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.202 8.422 -4.208 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.192 8.817 -5.174 1.00 0.00 C ATOM 1057 C TYR A 76 -0.667 8.548 -6.603 1.00 0.00 C ATOM 1058 O TYR A 76 -0.255 9.234 -7.538 1.00 0.00 O ATOM 1059 CB TYR A 76 1.032 7.947 -4.884 1.00 0.00 C ATOM 1060 CG TYR A 76 2.071 8.617 -3.981 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.664 9.466 -2.972 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.415 8.372 -4.176 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.640 10.096 -2.122 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.392 9.002 -3.327 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.957 9.833 -2.341 1.00 0.00 C ATOM 1066 OH TYR A 76 4.879 10.428 -1.539 1.00 0.00 O ATOM 0 H TYR A 76 -0.840 7.935 -3.388 1.00 0.00 H new ATOM 0 HA TYR A 76 0.023 9.882 -5.091 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.703 7.019 -4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.506 7.678 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.612 9.658 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.734 7.708 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.334 10.762 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.447 8.819 -3.469 1.00 0.00 H new ATOM 0 HH TYR A 76 5.778 10.148 -1.810 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.526 7.548 -6.730 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.062 7.179 -8.029 1.00 0.00 C ATOM 1077 C ILE A 77 -3.222 8.111 -8.382 1.00 0.00 C ATOM 1078 O ILE A 77 -3.063 9.032 -9.181 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.434 5.696 -8.054 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.379 4.853 -7.336 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.676 5.215 -9.487 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.672 3.359 -7.491 1.00 0.00 C ATOM 0 H ILE A 77 -1.865 6.981 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.305 7.306 -8.803 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.370 5.570 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.392 5.078 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.357 5.115 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.939 4.157 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.491 5.787 -9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.770 5.358 -10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.907 2.782 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.649 3.134 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.669 3.095 -8.549 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.364 7.842 -7.766 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.551 8.644 -8.004 1.00 0.00 C ATOM 1095 C GLN A 78 -5.220 10.132 -7.875 1.00 0.00 C ATOM 1096 O GLN A 78 -5.501 10.915 -8.781 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.681 8.250 -7.051 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.087 6.789 -7.257 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.712 6.209 -5.986 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.083 6.920 -5.067 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.808 4.882 -5.987 1.00 0.00 N ATOM 0 H GLN A 78 -4.492 7.079 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.895 8.454 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.361 8.400 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.542 8.897 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.797 6.718 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.213 6.201 -7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.477 4.347 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.212 4.399 -5.184 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.626 10.478 -6.742 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.253 11.857 -6.483 1.00 0.00 C ATOM 1110 C LYS A 79 -3.718 12.488 -7.770 1.00 0.00 C ATOM 1111 O LYS A 79 -4.185 13.546 -8.188 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.276 11.938 -5.308 1.00 0.00 C ATOM 1113 CG LYS A 79 -3.913 11.391 -4.028 1.00 0.00 C ATOM 1114 CD LYS A 79 -4.943 12.373 -3.466 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.267 13.447 -2.612 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.193 14.726 -3.352 1.00 0.00 N ATOM 0 H LYS A 79 -4.394 9.826 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.126 12.436 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.374 11.372 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.972 12.973 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.393 10.435 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.139 11.204 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.487 12.844 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.675 11.833 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.824 13.588 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.264 13.122 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.125 15.514 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.354 14.723 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.048 14.841 -3.933 1.00 0.00 H new