USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot -32:sc= 1.15 USER MOD Set 1.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 71 TYR OH : rot -155:sc= 1.39 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0431 K(o=0.043,f=-3.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -159:sc= -0.139 (180deg=-0.609) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0873 (180deg=-0.0873) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.093) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.860 -5.510 -13.521 1.00 0.00 N ATOM 14 CA LEU A 7 -5.877 -5.480 -12.437 1.00 0.00 C ATOM 15 C LEU A 7 -4.419 -5.565 -12.926 1.00 0.00 C ATOM 16 O LEU A 7 -4.108 -6.318 -13.855 1.00 0.00 O ATOM 17 CB LEU A 7 -6.222 -6.546 -11.373 1.00 0.00 C ATOM 18 CG LEU A 7 -6.002 -8.030 -11.756 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.275 -8.915 -10.534 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.890 -8.504 -12.917 1.00 0.00 C ATOM 0 HA LEU A 7 -5.943 -4.500 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.630 -6.337 -10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.269 -6.421 -11.097 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.967 -8.114 -12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.121 -9.961 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.594 -8.642 -9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.304 -8.772 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.681 -9.552 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.939 -8.391 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.681 -7.905 -13.803 1.00 0.00 H new ATOM 31 N LYS A 8 -3.521 -4.824 -12.274 1.00 0.00 N ATOM 32 CA LYS A 8 -2.078 -4.735 -12.556 1.00 0.00 C ATOM 33 C LYS A 8 -1.265 -4.606 -11.249 1.00 0.00 C ATOM 34 O LYS A 8 -1.762 -4.047 -10.270 1.00 0.00 O ATOM 35 CB LYS A 8 -1.800 -3.511 -13.455 1.00 0.00 C ATOM 36 CG LYS A 8 -2.463 -3.581 -14.840 1.00 0.00 C ATOM 37 CD LYS A 8 -1.938 -2.518 -15.817 1.00 0.00 C ATOM 38 CE LYS A 8 -2.193 -1.079 -15.344 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.721 -0.093 -16.347 1.00 0.00 N ATOM 0 H LYS A 8 -3.793 -4.233 -11.488 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.772 -5.649 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.147 -2.613 -12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.723 -3.408 -13.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.296 -4.570 -15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.540 -3.460 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.867 -2.662 -15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.410 -2.663 -16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.258 -0.936 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.683 -0.909 -14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.906 0.870 -16.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.700 -0.216 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.226 -0.241 -17.244 1.00 0.00 H new ATOM 49 N THR A 9 -0.022 -5.111 -11.231 1.00 0.00 N ATOM 50 CA THR A 9 0.911 -5.006 -10.089 1.00 0.00 C ATOM 51 C THR A 9 1.553 -3.617 -10.004 1.00 0.00 C ATOM 52 O THR A 9 1.673 -2.922 -11.016 1.00 0.00 O ATOM 53 CB THR A 9 1.944 -6.140 -10.147 1.00 0.00 C ATOM 54 OG1 THR A 9 2.561 -6.249 -8.890 1.00 0.00 O ATOM 55 CG2 THR A 9 3.032 -5.941 -11.205 1.00 0.00 C ATOM 0 H THR A 9 0.375 -5.615 -12.024 1.00 0.00 H new ATOM 0 HA THR A 9 0.346 -5.124 -9.164 1.00 0.00 H new ATOM 0 HB THR A 9 1.399 -7.043 -10.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.223 -6.971 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.721 -6.785 -11.181 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.573 -5.875 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.578 -5.021 -10.997 1.00 0.00 H new ATOM 63 N GLN A 10 1.966 -3.198 -8.808 1.00 0.00 N ATOM 64 CA GLN A 10 2.530 -1.881 -8.508 1.00 0.00 C ATOM 65 C GLN A 10 3.357 -1.952 -7.217 1.00 0.00 C ATOM 66 O GLN A 10 3.030 -2.740 -6.328 1.00 0.00 O ATOM 67 CB GLN A 10 1.378 -0.862 -8.362 1.00 0.00 C ATOM 68 CG GLN A 10 1.827 0.593 -8.149 1.00 0.00 C ATOM 69 CD GLN A 10 2.712 1.091 -9.288 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.929 0.935 -9.279 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.131 1.634 -10.332 1.00 0.00 N ATOM 0 H GLN A 10 1.914 -3.795 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 10 3.187 -1.563 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.756 -0.908 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.752 -1.161 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.950 1.234 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.370 0.671 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.119 1.765 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.691 1.925 -11.133 1.00 0.00 H new ATOM 78 N GLN A 11 4.384 -1.102 -7.090 1.00 0.00 N ATOM 79 CA GLN A 11 5.148 -0.902 -5.853 1.00 0.00 C ATOM 80 C GLN A 11 5.158 0.576 -5.437 1.00 0.00 C ATOM 81 O GLN A 11 5.038 1.467 -6.278 1.00 0.00 O ATOM 82 CB GLN A 11 6.608 -1.377 -6.020 1.00 0.00 C ATOM 83 CG GLN A 11 6.768 -2.903 -6.000 1.00 0.00 C ATOM 84 CD GLN A 11 8.233 -3.319 -5.841 1.00 0.00 C ATOM 85 OE1 GLN A 11 8.696 -3.717 -4.775 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.028 -3.216 -6.881 1.00 0.00 N ATOM 0 H GLN A 11 4.714 -0.522 -7.861 1.00 0.00 H new ATOM 0 HA GLN A 11 4.657 -1.492 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.000 -0.992 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.214 -0.947 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.181 -3.319 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.369 -3.322 -6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.660 -2.887 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.014 -3.465 -6.796 1.00 0.00 H new ATOM 93 N MET A 12 5.410 0.847 -4.154 1.00 0.00 N ATOM 94 CA MET A 12 5.622 2.195 -3.602 1.00 0.00 C ATOM 95 C MET A 12 6.429 2.161 -2.302 1.00 0.00 C ATOM 96 O MET A 12 6.553 1.109 -1.674 1.00 0.00 O ATOM 97 CB MET A 12 4.289 2.943 -3.398 1.00 0.00 C ATOM 98 CG MET A 12 3.312 2.339 -2.374 1.00 0.00 C ATOM 99 SD MET A 12 2.396 0.859 -2.895 1.00 0.00 S ATOM 100 CE MET A 12 1.416 1.567 -4.248 1.00 0.00 C ATOM 0 H MET A 12 5.475 0.115 -3.446 1.00 0.00 H new ATOM 0 HA MET A 12 6.207 2.745 -4.339 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.515 3.965 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.781 3.003 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.873 2.092 -1.473 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.589 3.107 -2.099 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.549 0.935 -4.438 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.083 2.567 -3.971 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.027 1.625 -5.149 1.00 0.00 H new ATOM 108 N GLN A 13 6.949 3.312 -1.872 1.00 0.00 N ATOM 109 CA GLN A 13 7.473 3.506 -0.521 1.00 0.00 C ATOM 110 C GLN A 13 6.341 4.007 0.394 1.00 0.00 C ATOM 111 O GLN A 13 5.448 4.731 -0.057 1.00 0.00 O ATOM 112 CB GLN A 13 8.667 4.479 -0.562 1.00 0.00 C ATOM 113 CG GLN A 13 9.464 4.524 0.754 1.00 0.00 C ATOM 114 CD GLN A 13 10.489 5.653 0.769 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.248 6.730 1.305 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.643 5.483 0.171 1.00 0.00 N ATOM 0 H GLN A 13 7.018 4.143 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 13 7.838 2.563 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.335 4.189 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.303 5.480 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.775 4.650 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.973 3.571 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.858 4.593 -0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.326 6.240 0.156 1.00 0.00 H new ATOM 123 N VAL A 14 6.390 3.635 1.676 1.00 0.00 N ATOM 124 CA VAL A 14 5.516 4.150 2.740 1.00 0.00 C ATOM 125 C VAL A 14 6.344 4.960 3.749 1.00 0.00 C ATOM 126 O VAL A 14 7.365 4.492 4.260 1.00 0.00 O ATOM 127 CB VAL A 14 4.693 3.016 3.401 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.499 1.752 3.751 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.945 3.505 4.652 1.00 0.00 C ATOM 0 H VAL A 14 7.060 2.945 2.016 1.00 0.00 H new ATOM 0 HA VAL A 14 4.782 4.826 2.302 1.00 0.00 H new ATOM 0 HB VAL A 14 3.979 2.728 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.839 1.015 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.934 1.335 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.295 2.010 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.381 2.679 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.663 3.876 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.260 4.307 4.376 1.00 0.00 H new ATOM 139 N GLY A 15 5.898 6.191 4.022 1.00 0.00 N ATOM 140 CA GLY A 15 6.613 7.184 4.826 1.00 0.00 C ATOM 141 C GLY A 15 6.378 6.980 6.317 1.00 0.00 C ATOM 142 O GLY A 15 5.325 7.352 6.840 1.00 0.00 O ATOM 0 H GLY A 15 5.001 6.533 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.681 7.122 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.289 8.185 4.540 1.00 0.00 H new ATOM 146 N GLY A 16 7.377 6.413 6.998 1.00 0.00 N ATOM 147 CA GLY A 16 7.399 6.160 8.444 1.00 0.00 C ATOM 148 C GLY A 16 7.201 4.699 8.855 1.00 0.00 C ATOM 149 O GLY A 16 7.445 4.380 10.017 1.00 0.00 O ATOM 0 H GLY A 16 8.232 6.103 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.353 6.506 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.620 6.761 8.913 1.00 0.00 H new ATOM 153 N MET A 17 6.780 3.798 7.956 1.00 0.00 N ATOM 154 CA MET A 17 6.579 2.374 8.281 1.00 0.00 C ATOM 155 C MET A 17 7.762 1.528 7.784 1.00 0.00 C ATOM 156 O MET A 17 8.045 1.518 6.587 1.00 0.00 O ATOM 157 CB MET A 17 5.243 1.897 7.684 1.00 0.00 C ATOM 158 CG MET A 17 4.664 0.652 8.370 1.00 0.00 C ATOM 159 SD MET A 17 5.658 -0.866 8.367 1.00 0.00 S ATOM 160 CE MET A 17 5.809 -1.172 6.589 1.00 0.00 C ATOM 0 H MET A 17 6.569 4.032 6.986 1.00 0.00 H new ATOM 0 HA MET A 17 6.535 2.251 9.363 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.517 2.707 7.751 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.386 1.683 6.625 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.454 0.911 9.408 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.708 0.425 7.898 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.396 -2.075 6.424 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.817 -1.300 6.156 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.305 -0.325 6.115 1.00 0.00 H new ATOM 219 N CYS A 22 4.069 -3.391 12.083 1.00 0.00 N ATOM 220 CA CYS A 22 3.097 -2.534 11.394 1.00 0.00 C ATOM 221 C CYS A 22 2.886 -2.843 9.904 1.00 0.00 C ATOM 222 O CYS A 22 1.797 -2.566 9.399 1.00 0.00 O ATOM 223 CB CYS A 22 3.471 -1.070 11.645 1.00 0.00 C ATOM 224 SG CYS A 22 1.979 -0.094 11.327 1.00 0.00 S ATOM 0 HA CYS A 22 2.118 -2.751 11.822 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.816 -0.928 12.669 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.284 -0.760 10.989 1.00 0.00 H new ATOM 0 HG CYS A 22 1.277 -0.666 10.394 1.00 0.00 H new ATOM 229 N ALA A 23 3.819 -3.508 9.211 1.00 0.00 N ATOM 230 CA ALA A 23 3.550 -4.145 7.928 1.00 0.00 C ATOM 231 C ALA A 23 2.285 -5.013 7.986 1.00 0.00 C ATOM 232 O ALA A 23 1.458 -4.948 7.084 1.00 0.00 O ATOM 233 CB ALA A 23 4.768 -4.994 7.593 1.00 0.00 C ATOM 0 H ALA A 23 4.782 -3.616 9.530 1.00 0.00 H new ATOM 0 HA ALA A 23 3.373 -3.391 7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.612 -5.493 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.650 -4.356 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.916 -5.742 8.372 1.00 0.00 H new ATOM 239 N SER A 24 2.074 -5.742 9.084 1.00 0.00 N ATOM 240 CA SER A 24 0.894 -6.595 9.281 1.00 0.00 C ATOM 241 C SER A 24 -0.425 -5.796 9.336 1.00 0.00 C ATOM 242 O SER A 24 -1.481 -6.326 9.001 1.00 0.00 O ATOM 243 CB SER A 24 1.076 -7.414 10.567 1.00 0.00 C ATOM 244 OG SER A 24 2.172 -8.322 10.491 1.00 0.00 O ATOM 0 H SER A 24 2.723 -5.759 9.871 1.00 0.00 H new ATOM 0 HA SER A 24 0.816 -7.255 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.229 -6.736 11.406 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.161 -7.971 10.770 1.00 0.00 H new ATOM 0 HG SER A 24 2.246 -8.817 11.334 1.00 0.00 H new ATOM 249 N SER A 25 -0.390 -4.510 9.702 1.00 0.00 N ATOM 250 CA SER A 25 -1.557 -3.610 9.719 1.00 0.00 C ATOM 251 C SER A 25 -1.895 -3.067 8.327 1.00 0.00 C ATOM 252 O SER A 25 -3.028 -2.673 8.064 1.00 0.00 O ATOM 253 CB SER A 25 -1.348 -2.423 10.680 1.00 0.00 C ATOM 254 OG SER A 25 -0.637 -2.781 11.853 1.00 0.00 O ATOM 0 H SER A 25 0.470 -4.051 10.003 1.00 0.00 H new ATOM 0 HA SER A 25 -2.392 -4.217 10.070 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.807 -1.632 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.319 -2.014 10.960 1.00 0.00 H new ATOM 0 HG SER A 25 -0.531 -1.992 12.425 1.00 0.00 H new ATOM 259 N ILE A 26 -0.927 -3.067 7.406 1.00 0.00 N ATOM 260 CA ILE A 26 -1.204 -2.892 5.980 1.00 0.00 C ATOM 261 C ILE A 26 -1.655 -4.235 5.397 1.00 0.00 C ATOM 262 O ILE A 26 -2.774 -4.340 4.906 1.00 0.00 O ATOM 263 CB ILE A 26 0.020 -2.283 5.248 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.260 -0.795 5.593 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.167 -2.385 3.725 1.00 0.00 C ATOM 266 CD1 ILE A 26 1.084 -0.549 6.861 1.00 0.00 C ATOM 0 H ILE A 26 0.062 -3.187 7.626 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.014 -2.177 5.836 1.00 0.00 H new ATOM 0 HB ILE A 26 0.883 -2.858 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.765 -0.319 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.706 -0.303 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.699 -1.954 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.268 -3.432 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.065 -1.841 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.198 0.524 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.574 -0.989 7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.067 -1.006 6.750 1.00 0.00 H new ATOM 277 N GLU A 27 -0.803 -5.258 5.464 1.00 0.00 N ATOM 278 CA GLU A 27 -0.925 -6.482 4.667 1.00 0.00 C ATOM 279 C GLU A 27 -2.204 -7.271 4.982 1.00 0.00 C ATOM 280 O GLU A 27 -2.804 -7.838 4.064 1.00 0.00 O ATOM 281 CB GLU A 27 0.295 -7.399 4.898 1.00 0.00 C ATOM 282 CG GLU A 27 1.612 -6.878 4.302 1.00 0.00 C ATOM 283 CD GLU A 27 2.759 -7.860 4.555 1.00 0.00 C ATOM 284 OE1 GLU A 27 3.103 -8.126 5.730 1.00 0.00 O ATOM 285 OE2 GLU A 27 3.306 -8.426 3.577 1.00 0.00 O ATOM 0 H GLU A 27 0.007 -5.261 6.085 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.972 -6.166 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.428 -7.540 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.082 -8.379 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.493 -6.722 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.855 -5.910 4.740 1.00 0.00 H new ATOM 290 N ARG A 28 -2.644 -7.314 6.252 1.00 0.00 N ATOM 291 CA ARG A 28 -3.848 -8.071 6.621 1.00 0.00 C ATOM 292 C ARG A 28 -5.116 -7.449 6.025 1.00 0.00 C ATOM 293 O ARG A 28 -5.920 -8.169 5.425 1.00 0.00 O ATOM 294 CB ARG A 28 -3.943 -8.224 8.144 1.00 0.00 C ATOM 295 CG ARG A 28 -5.092 -9.170 8.534 1.00 0.00 C ATOM 296 CD ARG A 28 -5.105 -9.491 10.030 1.00 0.00 C ATOM 297 NE ARG A 28 -3.963 -10.331 10.426 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.878 -11.653 10.347 1.00 0.00 C ATOM 299 NH1 ARG A 28 -4.819 -12.411 9.835 1.00 0.00 N ATOM 300 NH2 ARG A 28 -2.809 -12.273 10.783 1.00 0.00 N ATOM 0 H ARG A 28 -2.188 -6.838 7.031 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.763 -9.069 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.001 -8.611 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.100 -7.247 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.043 -8.716 8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.003 -10.097 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.086 -8.562 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.035 -10.001 10.283 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.149 -9.844 10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.673 -11.988 9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.697 -13.423 9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.038 -11.739 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.748 -13.289 10.720 1.00 0.00 H new ATOM 311 N ALA A 29 -5.280 -6.129 6.148 1.00 0.00 N ATOM 312 CA ALA A 29 -6.417 -5.402 5.585 1.00 0.00 C ATOM 313 C ALA A 29 -6.351 -5.291 4.057 1.00 0.00 C ATOM 314 O ALA A 29 -7.384 -5.395 3.401 1.00 0.00 O ATOM 315 CB ALA A 29 -6.474 -4.005 6.215 1.00 0.00 C ATOM 0 H ALA A 29 -4.620 -5.531 6.646 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.322 -5.964 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.319 -3.454 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.594 -4.097 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.550 -3.470 5.997 1.00 0.00 H new ATOM 321 N LEU A 30 -5.162 -5.088 3.477 1.00 0.00 N ATOM 322 CA LEU A 30 -4.991 -4.718 2.068 1.00 0.00 C ATOM 323 C LEU A 30 -5.582 -5.742 1.088 1.00 0.00 C ATOM 324 O LEU A 30 -6.237 -5.337 0.136 1.00 0.00 O ATOM 325 CB LEU A 30 -3.500 -4.408 1.831 1.00 0.00 C ATOM 326 CG LEU A 30 -3.114 -3.895 0.430 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.953 -2.691 -0.022 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.637 -3.477 0.458 1.00 0.00 C ATOM 0 H LEU A 30 -4.280 -5.178 3.981 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.573 -3.821 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.186 -3.665 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.928 -5.314 2.031 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.299 -4.704 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.633 -2.377 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.006 -2.972 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.817 -1.868 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.344 -3.110 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.496 -2.687 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.021 -4.336 0.724 1.00 0.00 H new ATOM 339 N GLU A 31 -5.472 -7.048 1.354 1.00 0.00 N ATOM 340 CA GLU A 31 -6.098 -8.081 0.512 1.00 0.00 C ATOM 341 C GLU A 31 -7.631 -8.127 0.645 1.00 0.00 C ATOM 342 O GLU A 31 -8.308 -8.723 -0.204 1.00 0.00 O ATOM 343 CB GLU A 31 -5.502 -9.464 0.816 1.00 0.00 C ATOM 344 CG GLU A 31 -5.776 -9.961 2.240 1.00 0.00 C ATOM 345 CD GLU A 31 -5.389 -11.424 2.388 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.169 -12.304 1.961 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.319 -11.707 2.975 1.00 0.00 O ATOM 0 H GLU A 31 -4.953 -7.419 2.150 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.878 -7.806 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.905 -10.186 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.424 -9.427 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.215 -9.358 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.832 -9.834 2.477 1.00 0.00 H new ATOM 352 N ARG A 32 -8.177 -7.516 1.707 1.00 0.00 N ATOM 353 CA ARG A 32 -9.612 -7.403 1.976 1.00 0.00 C ATOM 354 C ARG A 32 -10.196 -6.026 1.600 1.00 0.00 C ATOM 355 O ARG A 32 -11.423 -5.896 1.574 1.00 0.00 O ATOM 356 CB ARG A 32 -9.933 -7.760 3.446 1.00 0.00 C ATOM 357 CG ARG A 32 -9.510 -9.194 3.815 1.00 0.00 C ATOM 358 CD ARG A 32 -10.232 -9.736 5.057 1.00 0.00 C ATOM 359 NE ARG A 32 -9.897 -11.154 5.272 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.482 -12.012 6.102 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.468 -11.663 6.898 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.077 -13.262 6.122 1.00 0.00 N ATOM 0 H ARG A 32 -7.607 -7.072 2.427 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.101 -8.129 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.427 -7.055 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.003 -7.646 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.709 -9.853 2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.434 -9.215 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.948 -9.153 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.310 -9.625 4.935 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.124 -11.522 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.812 -10.703 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.890 -12.353 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.322 -13.564 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.517 -13.931 6.754 1.00 0.00 H new ATOM 373 N LEU A 33 -9.379 -5.013 1.277 1.00 0.00 N ATOM 374 CA LEU A 33 -9.847 -3.745 0.690 1.00 0.00 C ATOM 375 C LEU A 33 -10.458 -3.968 -0.701 1.00 0.00 C ATOM 376 O LEU A 33 -9.983 -4.786 -1.498 1.00 0.00 O ATOM 377 CB LEU A 33 -8.714 -2.702 0.608 1.00 0.00 C ATOM 378 CG LEU A 33 -8.088 -2.249 1.943 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.057 -1.146 1.668 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.108 -1.722 2.959 1.00 0.00 C ATOM 0 H LEU A 33 -8.369 -5.049 1.416 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.620 -3.356 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.921 -3.111 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.100 -1.820 0.097 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.628 -3.134 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.611 -0.822 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.278 -1.532 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.549 -0.299 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.592 -1.423 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.629 -0.862 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.829 -2.506 3.190 1.00 0.00 H new ATOM 391 N LYS A 34 -11.525 -3.231 -0.998 1.00 0.00 N ATOM 392 CA LYS A 34 -12.308 -3.402 -2.224 1.00 0.00 C ATOM 393 C LYS A 34 -11.503 -3.054 -3.489 1.00 0.00 C ATOM 394 O LYS A 34 -10.893 -1.987 -3.574 1.00 0.00 O ATOM 395 CB LYS A 34 -13.595 -2.574 -2.106 1.00 0.00 C ATOM 396 CG LYS A 34 -14.547 -3.183 -1.065 1.00 0.00 C ATOM 397 CD LYS A 34 -15.857 -2.408 -0.919 1.00 0.00 C ATOM 398 CE LYS A 34 -16.744 -2.575 -2.160 1.00 0.00 C ATOM 399 NZ LYS A 34 -18.118 -2.084 -1.920 1.00 0.00 N ATOM 0 H LYS A 34 -11.876 -2.491 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.569 -4.454 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.349 -1.550 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.092 -2.527 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.771 -4.212 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.044 -3.218 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.393 -2.758 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.641 -1.351 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.305 -2.032 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.778 -3.627 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.688 -2.213 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.546 -2.619 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.088 -1.074 -1.673 1.00 0.00 H new ATOM 409 N GLY A 35 -11.486 -3.968 -4.465 1.00 0.00 N ATOM 410 CA GLY A 35 -10.768 -3.841 -5.744 1.00 0.00 C ATOM 411 C GLY A 35 -9.364 -4.460 -5.764 1.00 0.00 C ATOM 412 O GLY A 35 -8.797 -4.589 -6.850 1.00 0.00 O ATOM 0 H GLY A 35 -11.990 -4.851 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.366 -4.308 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.686 -2.783 -5.994 1.00 0.00 H new ATOM 416 N VAL A 36 -8.814 -4.852 -4.609 1.00 0.00 N ATOM 417 CA VAL A 36 -7.437 -5.364 -4.450 1.00 0.00 C ATOM 418 C VAL A 36 -7.417 -6.900 -4.514 1.00 0.00 C ATOM 419 O VAL A 36 -8.292 -7.556 -3.948 1.00 0.00 O ATOM 420 CB VAL A 36 -6.803 -4.878 -3.122 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.314 -5.262 -3.029 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.924 -3.350 -2.956 1.00 0.00 C ATOM 0 H VAL A 36 -9.327 -4.823 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.843 -4.969 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.357 -5.374 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.904 -4.904 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.214 -6.346 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.769 -4.808 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.468 -3.049 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.414 -2.853 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.976 -3.066 -2.957 1.00 0.00 H new ATOM 432 N ALA A 37 -6.418 -7.474 -5.197 1.00 0.00 N ATOM 433 CA ALA A 37 -6.330 -8.912 -5.493 1.00 0.00 C ATOM 434 C ALA A 37 -5.105 -9.645 -4.903 1.00 0.00 C ATOM 435 O ALA A 37 -5.183 -10.861 -4.704 1.00 0.00 O ATOM 436 CB ALA A 37 -6.328 -9.047 -7.019 1.00 0.00 C ATOM 0 H ALA A 37 -5.631 -6.941 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.182 -9.394 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.264 -10.101 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.247 -8.623 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.471 -8.513 -7.430 1.00 0.00 H new ATOM 442 N GLU A 38 -3.998 -8.947 -4.628 1.00 0.00 N ATOM 443 CA GLU A 38 -2.731 -9.510 -4.123 1.00 0.00 C ATOM 444 C GLU A 38 -1.853 -8.385 -3.557 1.00 0.00 C ATOM 445 O GLU A 38 -1.760 -7.341 -4.198 1.00 0.00 O ATOM 446 CB GLU A 38 -1.997 -10.285 -5.243 1.00 0.00 C ATOM 447 CG GLU A 38 -0.667 -10.905 -4.787 1.00 0.00 C ATOM 448 CD GLU A 38 0.014 -11.720 -5.889 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.250 -11.197 -7.003 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.366 -12.898 -5.636 1.00 0.00 O ATOM 0 H GLU A 38 -3.953 -7.936 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.947 -10.216 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.649 -11.075 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.807 -9.610 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.005 -10.112 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.847 -11.547 -3.925 1.00 0.00 H new ATOM 455 N ALA A 39 -1.174 -8.571 -2.414 1.00 0.00 N ATOM 456 CA ALA A 39 -0.277 -7.552 -1.838 1.00 0.00 C ATOM 457 C ALA A 39 0.739 -8.100 -0.816 1.00 0.00 C ATOM 458 O ALA A 39 0.492 -9.121 -0.173 1.00 0.00 O ATOM 459 CB ALA A 39 -1.125 -6.447 -1.200 1.00 0.00 C ATOM 0 H ALA A 39 -1.230 -9.428 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 39 0.324 -7.164 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.471 -5.688 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.760 -5.991 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.749 -6.874 -0.415 1.00 0.00 H new ATOM 465 N SER A 40 1.853 -7.388 -0.607 1.00 0.00 N ATOM 466 CA SER A 40 2.956 -7.803 0.283 1.00 0.00 C ATOM 467 C SER A 40 3.961 -6.670 0.608 1.00 0.00 C ATOM 468 O SER A 40 4.202 -5.787 -0.217 1.00 0.00 O ATOM 469 CB SER A 40 3.698 -9.007 -0.326 1.00 0.00 C ATOM 470 OG SER A 40 4.279 -8.694 -1.584 1.00 0.00 O ATOM 0 H SER A 40 2.021 -6.489 -1.058 1.00 0.00 H new ATOM 0 HA SER A 40 2.495 -8.080 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.477 -9.338 0.361 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.003 -9.839 -0.444 1.00 0.00 H new ATOM 0 HG SER A 40 4.742 -9.483 -1.936 1.00 0.00 H new ATOM 475 N VAL A 41 4.585 -6.688 1.794 1.00 0.00 N ATOM 476 CA VAL A 41 5.602 -5.698 2.232 1.00 0.00 C ATOM 477 C VAL A 41 7.046 -6.064 1.808 1.00 0.00 C ATOM 478 O VAL A 41 7.365 -7.241 1.639 1.00 0.00 O ATOM 479 CB VAL A 41 5.524 -5.469 3.771 1.00 0.00 C ATOM 480 CG1 VAL A 41 6.246 -6.596 4.526 1.00 0.00 C ATOM 481 CG2 VAL A 41 6.053 -4.087 4.181 1.00 0.00 C ATOM 0 H VAL A 41 4.399 -7.403 2.497 1.00 0.00 H new ATOM 0 HA VAL A 41 5.359 -4.769 1.717 1.00 0.00 H new ATOM 0 HB VAL A 41 4.471 -5.493 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.179 -6.416 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.778 -7.551 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.294 -6.621 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.978 -3.975 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.096 -3.992 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.461 -3.312 3.694 1.00 0.00 H new ATOM 491 N THR A 42 7.931 -5.055 1.747 1.00 0.00 N ATOM 492 CA THR A 42 9.391 -5.175 1.926 1.00 0.00 C ATOM 493 C THR A 42 9.791 -4.237 3.067 1.00 0.00 C ATOM 494 O THR A 42 10.003 -3.043 2.855 1.00 0.00 O ATOM 495 CB THR A 42 10.160 -4.812 0.649 1.00 0.00 C ATOM 496 OG1 THR A 42 9.704 -5.602 -0.419 1.00 0.00 O ATOM 497 CG2 THR A 42 11.662 -5.067 0.787 1.00 0.00 C ATOM 0 H THR A 42 7.639 -4.095 1.565 1.00 0.00 H new ATOM 0 HA THR A 42 9.643 -6.210 2.157 1.00 0.00 H new ATOM 0 HB THR A 42 9.989 -3.750 0.471 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.196 -5.367 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.164 -4.795 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.060 -4.465 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.834 -6.123 0.997 1.00 0.00 H new ATOM 505 N VAL A 43 9.863 -4.768 4.288 1.00 0.00 N ATOM 506 CA VAL A 43 10.075 -3.975 5.518 1.00 0.00 C ATOM 507 C VAL A 43 11.436 -3.257 5.536 1.00 0.00 C ATOM 508 O VAL A 43 11.511 -2.128 6.017 1.00 0.00 O ATOM 509 CB VAL A 43 9.891 -4.867 6.775 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.631 -4.404 8.038 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.398 -4.900 7.126 1.00 0.00 C ATOM 0 H VAL A 43 9.776 -5.769 4.462 1.00 0.00 H new ATOM 0 HA VAL A 43 9.318 -3.191 5.531 1.00 0.00 H new ATOM 0 HB VAL A 43 10.313 -5.834 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.431 -5.100 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.703 -4.374 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.285 -3.409 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.245 -5.522 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.050 -3.888 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.836 -5.314 6.288 1.00 0.00 H new ATOM 521 N ALA A 44 12.493 -3.881 4.999 1.00 0.00 N ATOM 522 CA ALA A 44 13.888 -3.437 5.117 1.00 0.00 C ATOM 523 C ALA A 44 14.136 -1.974 4.711 1.00 0.00 C ATOM 524 O ALA A 44 14.905 -1.267 5.372 1.00 0.00 O ATOM 525 CB ALA A 44 14.729 -4.360 4.229 1.00 0.00 C ATOM 0 H ALA A 44 12.397 -4.737 4.453 1.00 0.00 H new ATOM 0 HA ALA A 44 14.161 -3.490 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.777 -4.065 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.623 -5.390 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.387 -4.283 3.197 1.00 0.00 H new ATOM 531 N THR A 45 13.488 -1.544 3.622 1.00 0.00 N ATOM 532 CA THR A 45 13.592 -0.206 3.012 1.00 0.00 C ATOM 533 C THR A 45 12.260 0.551 3.002 1.00 0.00 C ATOM 534 O THR A 45 12.201 1.668 2.488 1.00 0.00 O ATOM 535 CB THR A 45 14.203 -0.312 1.603 1.00 0.00 C ATOM 536 OG1 THR A 45 13.608 -1.358 0.855 1.00 0.00 O ATOM 537 CG2 THR A 45 15.705 -0.584 1.674 1.00 0.00 C ATOM 0 H THR A 45 12.843 -2.148 3.113 1.00 0.00 H new ATOM 0 HA THR A 45 14.260 0.387 3.637 1.00 0.00 H new ATOM 0 HB THR A 45 14.016 0.644 1.114 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.017 -1.397 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.110 -0.654 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.197 0.229 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.880 -1.522 2.201 1.00 0.00 H new ATOM 545 N GLY A 46 11.204 -0.025 3.599 1.00 0.00 N ATOM 546 CA GLY A 46 9.895 0.610 3.796 1.00 0.00 C ATOM 547 C GLY A 46 9.054 0.679 2.521 1.00 0.00 C ATOM 548 O GLY A 46 8.430 1.711 2.250 1.00 0.00 O ATOM 0 H GLY A 46 11.241 -0.975 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.343 0.058 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.043 1.620 4.179 1.00 0.00 H new ATOM 552 N ARG A 47 9.041 -0.405 1.731 1.00 0.00 N ATOM 553 CA ARG A 47 8.258 -0.517 0.492 1.00 0.00 C ATOM 554 C ARG A 47 7.110 -1.531 0.577 1.00 0.00 C ATOM 555 O ARG A 47 7.044 -2.368 1.477 1.00 0.00 O ATOM 556 CB ARG A 47 9.160 -0.835 -0.715 1.00 0.00 C ATOM 557 CG ARG A 47 10.097 0.323 -1.100 1.00 0.00 C ATOM 558 CD ARG A 47 10.278 0.420 -2.623 1.00 0.00 C ATOM 559 NE ARG A 47 10.869 -0.797 -3.207 1.00 0.00 N ATOM 560 CZ ARG A 47 11.170 -0.965 -4.489 1.00 0.00 C ATOM 561 NH1 ARG A 47 10.938 -0.033 -5.391 1.00 0.00 N ATOM 562 NH2 ARG A 47 11.725 -2.090 -4.881 1.00 0.00 N ATOM 0 H ARG A 47 9.584 -1.243 1.939 1.00 0.00 H new ATOM 0 HA ARG A 47 7.800 0.462 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.759 -1.717 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.534 -1.086 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.692 1.261 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.068 0.180 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.310 0.607 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.914 1.274 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 47 11.063 -1.574 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.514 0.852 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.182 -0.196 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.921 -2.826 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.960 -2.228 -5.864 1.00 0.00 H new ATOM 573 N LEU A 48 6.199 -1.443 -0.391 1.00 0.00 N ATOM 574 CA LEU A 48 5.052 -2.325 -0.611 1.00 0.00 C ATOM 575 C LEU A 48 4.979 -2.761 -2.076 1.00 0.00 C ATOM 576 O LEU A 48 5.517 -2.086 -2.956 1.00 0.00 O ATOM 577 CB LEU A 48 3.769 -1.551 -0.255 1.00 0.00 C ATOM 578 CG LEU A 48 3.493 -1.443 1.252 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.420 -0.373 1.447 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.972 -2.771 1.823 1.00 0.00 C ATOM 0 H LEU A 48 6.245 -0.703 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 48 5.157 -3.213 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.837 -0.547 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.920 -2.039 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 48 4.419 -1.191 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.198 -0.269 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.780 0.579 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.515 -0.664 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.787 -2.660 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.044 -3.044 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.715 -3.552 1.663 1.00 0.00 H new ATOM 591 N THR A 49 4.235 -3.846 -2.305 1.00 0.00 N ATOM 592 CA THR A 49 3.757 -4.352 -3.602 1.00 0.00 C ATOM 593 C THR A 49 2.260 -4.574 -3.448 1.00 0.00 C ATOM 594 O THR A 49 1.823 -5.073 -2.410 1.00 0.00 O ATOM 595 CB THR A 49 4.430 -5.672 -4.016 1.00 0.00 C ATOM 596 OG1 THR A 49 5.828 -5.519 -4.046 1.00 0.00 O ATOM 597 CG2 THR A 49 4.027 -6.108 -5.426 1.00 0.00 C ATOM 0 H THR A 49 3.926 -4.440 -1.535 1.00 0.00 H new ATOM 0 HA THR A 49 4.000 -3.630 -4.382 1.00 0.00 H new ATOM 0 HB THR A 49 4.111 -6.413 -3.283 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.244 -6.366 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.527 -7.044 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.947 -6.251 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.319 -5.340 -6.142 1.00 0.00 H new ATOM 605 N VAL A 50 1.485 -4.207 -4.463 1.00 0.00 N ATOM 606 CA VAL A 50 0.018 -4.296 -4.465 1.00 0.00 C ATOM 607 C VAL A 50 -0.516 -4.487 -5.890 1.00 0.00 C ATOM 608 O VAL A 50 0.023 -3.914 -6.835 1.00 0.00 O ATOM 609 CB VAL A 50 -0.612 -3.064 -3.765 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.292 -1.740 -4.478 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.135 -3.208 -3.614 1.00 0.00 C ATOM 0 H VAL A 50 1.863 -3.829 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.275 -5.175 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.156 -3.031 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.760 -0.915 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.788 -1.591 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.676 -1.774 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.537 -2.324 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.590 -3.311 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.359 -4.092 -3.017 1.00 0.00 H new ATOM 621 N THR A 51 -1.571 -5.297 -6.033 1.00 0.00 N ATOM 622 CA THR A 51 -2.278 -5.583 -7.286 1.00 0.00 C ATOM 623 C THR A 51 -3.728 -5.148 -7.149 1.00 0.00 C ATOM 624 O THR A 51 -4.484 -5.741 -6.382 1.00 0.00 O ATOM 625 CB THR A 51 -2.188 -7.073 -7.644 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.827 -7.389 -7.829 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.918 -7.386 -8.959 1.00 0.00 C ATOM 0 H THR A 51 -1.974 -5.795 -5.239 1.00 0.00 H new ATOM 0 HA THR A 51 -1.807 -5.026 -8.096 1.00 0.00 H new ATOM 0 HB THR A 51 -2.647 -7.650 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.740 -8.338 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.832 -8.450 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.971 -7.119 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.470 -6.811 -9.770 1.00 0.00 H new ATOM 635 N TYR A 52 -4.110 -4.152 -7.943 1.00 0.00 N ATOM 636 CA TYR A 52 -5.459 -3.579 -8.040 1.00 0.00 C ATOM 637 C TYR A 52 -5.758 -3.125 -9.481 1.00 0.00 C ATOM 638 O TYR A 52 -4.880 -3.186 -10.339 1.00 0.00 O ATOM 639 CB TYR A 52 -5.620 -2.435 -7.017 1.00 0.00 C ATOM 640 CG TYR A 52 -4.553 -1.340 -6.969 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.118 -0.660 -8.131 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.023 -0.959 -5.719 1.00 0.00 C ATOM 643 CE1 TYR A 52 -3.163 0.372 -8.039 1.00 0.00 C ATOM 644 CE2 TYR A 52 -3.075 0.077 -5.623 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.649 0.757 -6.783 1.00 0.00 C ATOM 646 OH TYR A 52 -1.763 1.787 -6.690 1.00 0.00 O ATOM 0 H TYR A 52 -3.453 -3.693 -8.574 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.194 -4.345 -7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.580 -1.954 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.679 -2.884 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.521 -0.934 -9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.349 -1.468 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.823 0.871 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.673 0.352 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.512 1.919 -5.752 1.00 0.00 H new ATOM 655 N ASP A 53 -6.972 -2.650 -9.777 1.00 0.00 N ATOM 656 CA ASP A 53 -7.340 -2.063 -11.064 1.00 0.00 C ATOM 657 C ASP A 53 -7.197 -0.527 -10.982 1.00 0.00 C ATOM 658 O ASP A 53 -8.073 0.123 -10.394 1.00 0.00 O ATOM 659 CB ASP A 53 -8.771 -2.510 -11.398 1.00 0.00 C ATOM 660 CG ASP A 53 -9.226 -2.066 -12.787 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.041 -0.880 -13.145 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.810 -2.902 -13.511 1.00 0.00 O ATOM 0 H ASP A 53 -7.743 -2.665 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.683 -2.401 -11.865 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.831 -3.596 -11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.455 -2.107 -10.651 1.00 0.00 H new ATOM 666 N PRO A 54 -6.136 0.070 -11.570 1.00 0.00 N ATOM 667 CA PRO A 54 -5.828 1.495 -11.444 1.00 0.00 C ATOM 668 C PRO A 54 -6.727 2.384 -12.320 1.00 0.00 C ATOM 669 O PRO A 54 -6.360 3.521 -12.616 1.00 0.00 O ATOM 670 CB PRO A 54 -4.342 1.603 -11.807 1.00 0.00 C ATOM 671 CG PRO A 54 -4.184 0.530 -12.878 1.00 0.00 C ATOM 672 CD PRO A 54 -5.094 -0.581 -12.360 1.00 0.00 C ATOM 0 HA PRO A 54 -6.024 1.862 -10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.088 2.593 -12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.700 1.415 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.495 0.886 -13.860 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.150 0.198 -12.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.528 -1.143 -13.186 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.533 -1.290 -11.752 1.00 0.00 H new ATOM 677 N LYS A 55 -7.894 1.881 -12.748 1.00 0.00 N ATOM 678 CA LYS A 55 -8.939 2.691 -13.397 1.00 0.00 C ATOM 679 C LYS A 55 -10.338 2.464 -12.795 1.00 0.00 C ATOM 680 O LYS A 55 -11.140 3.396 -12.773 1.00 0.00 O ATOM 681 CB LYS A 55 -8.945 2.461 -14.921 1.00 0.00 C ATOM 682 CG LYS A 55 -7.620 2.868 -15.593 1.00 0.00 C ATOM 683 CD LYS A 55 -7.700 2.957 -17.124 1.00 0.00 C ATOM 684 CE LYS A 55 -8.482 4.199 -17.576 1.00 0.00 C ATOM 685 NZ LYS A 55 -8.361 4.433 -19.034 1.00 0.00 N ATOM 0 H LYS A 55 -8.142 0.896 -12.654 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.689 3.734 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.141 1.408 -15.124 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.762 3.029 -15.366 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.306 3.834 -15.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.849 2.147 -15.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.693 2.988 -17.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.180 2.061 -17.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.533 4.080 -17.314 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.116 5.073 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.904 5.281 -19.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.361 4.572 -19.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.734 3.610 -19.550 1.00 0.00 H new ATOM 695 N GLN A 56 -10.639 1.279 -12.247 1.00 0.00 N ATOM 696 CA GLN A 56 -11.848 1.065 -11.432 1.00 0.00 C ATOM 697 C GLN A 56 -11.660 1.501 -9.965 1.00 0.00 C ATOM 698 O GLN A 56 -12.648 1.866 -9.326 1.00 0.00 O ATOM 699 CB GLN A 56 -12.329 -0.396 -11.514 1.00 0.00 C ATOM 700 CG GLN A 56 -12.652 -0.916 -12.932 1.00 0.00 C ATOM 701 CD GLN A 56 -13.484 0.020 -13.810 1.00 0.00 C ATOM 702 OE1 GLN A 56 -13.101 0.357 -14.926 1.00 0.00 O ATOM 703 NE2 GLN A 56 -14.621 0.501 -13.366 1.00 0.00 N ATOM 0 H GLN A 56 -10.059 0.447 -12.353 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.622 1.705 -11.856 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.562 -1.037 -11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.221 -0.501 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.713 -1.125 -13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.183 -1.864 -12.839 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.961 0.236 -12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.165 1.140 -13.945 1.00 0.00 H new ATOM 710 N VAL A 57 -10.427 1.524 -9.445 1.00 0.00 N ATOM 711 CA VAL A 57 -10.027 2.232 -8.208 1.00 0.00 C ATOM 712 C VAL A 57 -8.721 3.008 -8.478 1.00 0.00 C ATOM 713 O VAL A 57 -8.352 3.196 -9.640 1.00 0.00 O ATOM 714 CB VAL A 57 -9.901 1.282 -6.985 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.252 0.636 -6.629 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.852 0.170 -7.172 1.00 0.00 C ATOM 0 H VAL A 57 -9.647 1.035 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.815 2.936 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.566 1.921 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.125 -0.022 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.975 1.415 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.614 0.057 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.820 -0.454 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.121 -0.443 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.872 0.618 -7.337 1.00 0.00 H new ATOM 726 N SER A 58 -8.002 3.466 -7.449 1.00 0.00 N ATOM 727 CA SER A 58 -6.683 4.097 -7.595 1.00 0.00 C ATOM 728 C SER A 58 -5.833 3.919 -6.324 1.00 0.00 C ATOM 729 O SER A 58 -6.278 3.313 -5.342 1.00 0.00 O ATOM 730 CB SER A 58 -6.857 5.589 -7.958 1.00 0.00 C ATOM 731 OG SER A 58 -7.132 6.397 -6.824 1.00 0.00 O ATOM 0 H SER A 58 -8.320 3.410 -6.482 1.00 0.00 H new ATOM 0 HA SER A 58 -6.146 3.604 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.951 5.949 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.668 5.692 -8.678 1.00 0.00 H new ATOM 0 HG SER A 58 -7.232 7.331 -7.104 1.00 0.00 H new ATOM 736 N GLU A 59 -4.636 4.519 -6.312 1.00 0.00 N ATOM 737 CA GLU A 59 -3.764 4.656 -5.139 1.00 0.00 C ATOM 738 C GLU A 59 -4.504 5.196 -3.896 1.00 0.00 C ATOM 739 O GLU A 59 -4.102 4.906 -2.773 1.00 0.00 O ATOM 740 CB GLU A 59 -2.512 5.493 -5.502 1.00 0.00 C ATOM 741 CG GLU A 59 -2.776 6.977 -5.817 1.00 0.00 C ATOM 742 CD GLU A 59 -1.557 7.680 -6.435 1.00 0.00 C ATOM 743 OE1 GLU A 59 -0.679 8.180 -5.686 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.515 7.812 -7.687 1.00 0.00 O ATOM 0 H GLU A 59 -4.233 4.938 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.432 3.658 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.805 5.435 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.029 5.036 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.620 7.054 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.062 7.493 -4.900 1.00 0.00 H new ATOM 749 N ILE A 60 -5.638 5.890 -4.064 1.00 0.00 N ATOM 750 CA ILE A 60 -6.556 6.293 -2.983 1.00 0.00 C ATOM 751 C ILE A 60 -6.990 5.131 -2.072 1.00 0.00 C ATOM 752 O ILE A 60 -7.052 5.329 -0.851 1.00 0.00 O ATOM 753 CB ILE A 60 -7.770 7.018 -3.617 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.432 8.474 -4.012 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.048 6.953 -2.771 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.105 9.423 -2.849 1.00 0.00 C ATOM 0 H ILE A 60 -5.954 6.197 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.021 6.971 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.988 6.461 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.581 8.458 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.276 8.886 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.851 7.483 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.336 5.912 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.867 7.418 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.884 10.416 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.960 9.481 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.239 9.046 -2.305 1.00 0.00 H new ATOM 767 N THR A 61 -7.281 3.943 -2.625 1.00 0.00 N ATOM 768 CA THR A 61 -7.753 2.772 -1.852 1.00 0.00 C ATOM 769 C THR A 61 -6.735 2.365 -0.788 1.00 0.00 C ATOM 770 O THR A 61 -7.082 2.202 0.383 1.00 0.00 O ATOM 771 CB THR A 61 -8.111 1.624 -2.807 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.315 1.965 -3.459 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.377 0.297 -2.091 1.00 0.00 C ATOM 0 H THR A 61 -7.197 3.762 -3.625 1.00 0.00 H new ATOM 0 HA THR A 61 -8.661 3.041 -1.312 1.00 0.00 H new ATOM 0 HB THR A 61 -7.262 1.493 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.566 1.248 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.624 -0.470 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.487 -0.003 -1.539 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.210 0.418 -1.399 1.00 0.00 H new ATOM 781 N ILE A 62 -5.466 2.252 -1.180 1.00 0.00 N ATOM 782 CA ILE A 62 -4.339 1.926 -0.288 1.00 0.00 C ATOM 783 C ILE A 62 -3.888 3.142 0.544 1.00 0.00 C ATOM 784 O ILE A 62 -3.536 2.978 1.716 1.00 0.00 O ATOM 785 CB ILE A 62 -3.220 1.251 -1.126 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.078 0.746 -0.228 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.686 2.161 -2.248 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.066 -0.165 -0.936 1.00 0.00 C ATOM 0 H ILE A 62 -5.180 2.387 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.650 1.206 0.469 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.675 0.389 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.548 1.606 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.508 0.204 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.906 1.637 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.500 2.419 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.273 3.071 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.297 -0.473 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.578 -1.046 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.604 0.377 -1.761 1.00 0.00 H new ATOM 799 N GLN A 63 -3.972 4.359 -0.009 1.00 0.00 N ATOM 800 CA GLN A 63 -3.621 5.601 0.680 1.00 0.00 C ATOM 801 C GLN A 63 -4.457 5.790 1.942 1.00 0.00 C ATOM 802 O GLN A 63 -3.871 5.946 3.006 1.00 0.00 O ATOM 803 CB GLN A 63 -3.768 6.812 -0.259 1.00 0.00 C ATOM 804 CG GLN A 63 -3.140 8.090 0.320 1.00 0.00 C ATOM 805 CD GLN A 63 -3.213 9.244 -0.678 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.367 9.399 -1.553 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.211 10.096 -0.599 1.00 0.00 N ATOM 0 H GLN A 63 -4.292 4.507 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.576 5.528 0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.300 6.583 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.826 6.988 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.656 8.368 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.100 7.900 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.923 9.982 0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.273 10.871 -1.259 1.00 0.00 H new ATOM 814 N GLU A 64 -5.792 5.730 1.868 1.00 0.00 N ATOM 815 CA GLU A 64 -6.646 5.998 3.035 1.00 0.00 C ATOM 816 C GLU A 64 -6.504 4.974 4.171 1.00 0.00 C ATOM 817 O GLU A 64 -6.934 5.264 5.289 1.00 0.00 O ATOM 818 CB GLU A 64 -8.122 6.116 2.629 1.00 0.00 C ATOM 819 CG GLU A 64 -8.433 7.410 1.868 1.00 0.00 C ATOM 820 CD GLU A 64 -9.942 7.645 1.833 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.495 8.188 2.822 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.590 7.214 0.849 1.00 0.00 O ATOM 0 H GLU A 64 -6.304 5.499 1.017 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.290 6.951 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.391 5.262 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.744 6.068 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.936 8.253 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.043 7.347 0.852 1.00 0.00 H new ATOM 827 N ARG A 65 -5.901 3.800 3.940 1.00 0.00 N ATOM 828 CA ARG A 65 -5.533 2.871 5.019 1.00 0.00 C ATOM 829 C ARG A 65 -4.206 3.315 5.651 1.00 0.00 C ATOM 830 O ARG A 65 -4.086 3.407 6.871 1.00 0.00 O ATOM 831 CB ARG A 65 -5.494 1.427 4.470 1.00 0.00 C ATOM 832 CG ARG A 65 -5.838 0.327 5.497 1.00 0.00 C ATOM 833 CD ARG A 65 -4.864 0.263 6.678 1.00 0.00 C ATOM 834 NE ARG A 65 -5.109 -0.878 7.575 1.00 0.00 N ATOM 835 CZ ARG A 65 -5.736 -0.844 8.744 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.525 0.148 9.107 1.00 0.00 N ATOM 837 NH2 ARG A 65 -5.537 -1.830 9.588 1.00 0.00 N ATOM 0 H ARG A 65 -5.656 3.468 3.007 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.281 2.887 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.191 1.353 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.498 1.233 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.845 0.499 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.848 -0.639 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.845 0.204 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.937 1.188 7.250 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.762 -1.786 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.676 0.936 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.985 0.127 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.913 -2.597 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.006 -1.829 10.494 1.00 0.00 H new ATOM 848 N ILE A 66 -3.199 3.629 4.838 1.00 0.00 N ATOM 849 CA ILE A 66 -1.840 3.986 5.299 1.00 0.00 C ATOM 850 C ILE A 66 -1.807 5.372 5.968 1.00 0.00 C ATOM 851 O ILE A 66 -1.217 5.526 7.037 1.00 0.00 O ATOM 852 CB ILE A 66 -0.874 3.827 4.102 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.790 2.324 3.732 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.527 4.366 4.418 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.049 2.037 2.427 1.00 0.00 C ATOM 0 H ILE A 66 -3.296 3.646 3.823 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.509 3.312 6.089 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.261 4.409 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.294 1.790 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.801 1.923 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.172 4.234 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.462 5.426 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.944 3.822 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.037 0.963 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.555 2.540 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.975 2.404 2.502 1.00 0.00 H new ATOM 866 N ALA A 67 -2.529 6.341 5.405 1.00 0.00 N ATOM 867 CA ALA A 67 -2.758 7.676 5.956 1.00 0.00 C ATOM 868 C ALA A 67 -3.523 7.657 7.298 1.00 0.00 C ATOM 869 O ALA A 67 -3.448 8.613 8.066 1.00 0.00 O ATOM 870 CB ALA A 67 -3.549 8.463 4.902 1.00 0.00 C ATOM 0 H ALA A 67 -2.993 6.209 4.507 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.797 8.140 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.744 9.470 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.970 8.520 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.495 7.959 4.706 1.00 0.00 H new ATOM 876 N ALA A 68 -4.271 6.586 7.592 1.00 0.00 N ATOM 877 CA ALA A 68 -5.006 6.416 8.848 1.00 0.00 C ATOM 878 C ALA A 68 -4.139 5.762 9.944 1.00 0.00 C ATOM 879 O ALA A 68 -4.089 6.275 11.066 1.00 0.00 O ATOM 880 CB ALA A 68 -6.283 5.631 8.539 1.00 0.00 C ATOM 0 H ALA A 68 -4.383 5.800 6.951 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.277 7.388 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.853 5.488 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.886 6.185 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.021 4.660 8.120 1.00 0.00 H new ATOM 886 N LEU A 69 -3.386 4.705 9.597 1.00 0.00 N ATOM 887 CA LEU A 69 -2.414 4.015 10.472 1.00 0.00 C ATOM 888 C LEU A 69 -1.344 4.938 11.092 1.00 0.00 C ATOM 889 O LEU A 69 -0.782 4.585 12.133 1.00 0.00 O ATOM 890 CB LEU A 69 -1.719 2.908 9.660 1.00 0.00 C ATOM 891 CG LEU A 69 -2.588 1.668 9.375 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.827 0.780 8.384 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.894 0.855 10.640 1.00 0.00 C ATOM 0 H LEU A 69 -3.437 4.290 8.667 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.983 3.612 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.388 3.328 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.825 2.591 10.197 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.543 2.006 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.419 -0.108 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.646 1.335 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.874 0.481 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.509 -0.006 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.961 0.512 11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.430 1.481 11.354 1.00 0.00 H new ATOM 904 N GLY A 70 -1.087 6.101 10.472 1.00 0.00 N ATOM 905 CA GLY A 70 -0.197 7.160 10.975 1.00 0.00 C ATOM 906 C GLY A 70 0.919 7.580 10.015 1.00 0.00 C ATOM 907 O GLY A 70 1.855 8.251 10.444 1.00 0.00 O ATOM 0 H GLY A 70 -1.509 6.338 9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.799 8.037 11.213 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.255 6.821 11.907 1.00 0.00 H new ATOM 911 N TYR A 71 0.855 7.189 8.740 1.00 0.00 N ATOM 912 CA TYR A 71 1.944 7.353 7.766 1.00 0.00 C ATOM 913 C TYR A 71 1.564 8.266 6.582 1.00 0.00 C ATOM 914 O TYR A 71 0.500 8.893 6.589 1.00 0.00 O ATOM 915 CB TYR A 71 2.346 5.944 7.299 1.00 0.00 C ATOM 916 CG TYR A 71 2.705 5.014 8.440 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.813 5.300 9.260 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.884 3.909 8.729 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.107 4.480 10.364 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.169 3.089 9.834 1.00 0.00 C ATOM 921 CZ TYR A 71 3.287 3.370 10.654 1.00 0.00 C ATOM 922 OH TYR A 71 3.575 2.579 11.722 1.00 0.00 O ATOM 0 H TYR A 71 0.029 6.740 8.345 1.00 0.00 H new ATOM 0 HA TYR A 71 2.785 7.858 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.524 5.509 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.197 6.022 6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.439 6.152 9.040 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.033 3.690 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.960 4.700 10.989 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.534 2.244 10.057 1.00 0.00 H new ATOM 0 HH TYR A 71 3.206 1.683 11.575 1.00 0.00 H new ATOM 931 N THR A 72 2.431 8.329 5.564 1.00 0.00 N ATOM 932 CA THR A 72 2.162 8.919 4.238 1.00 0.00 C ATOM 933 C THR A 72 2.545 7.918 3.143 1.00 0.00 C ATOM 934 O THR A 72 3.160 6.894 3.442 1.00 0.00 O ATOM 935 CB THR A 72 2.927 10.240 4.040 1.00 0.00 C ATOM 936 OG1 THR A 72 4.314 10.042 4.205 1.00 0.00 O ATOM 937 CG2 THR A 72 2.464 11.332 5.003 1.00 0.00 C ATOM 0 H THR A 72 3.378 7.957 5.640 1.00 0.00 H new ATOM 0 HA THR A 72 1.097 9.142 4.175 1.00 0.00 H new ATOM 0 HB THR A 72 2.714 10.569 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.784 10.892 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.035 12.243 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.404 11.531 4.845 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.622 11.003 6.030 1.00 0.00 H new ATOM 945 N LEU A 73 2.189 8.188 1.882 1.00 0.00 N ATOM 946 CA LEU A 73 2.466 7.299 0.739 1.00 0.00 C ATOM 947 C LEU A 73 3.332 7.980 -0.335 1.00 0.00 C ATOM 948 O LEU A 73 3.214 9.191 -0.552 1.00 0.00 O ATOM 949 CB LEU A 73 1.113 6.835 0.155 1.00 0.00 C ATOM 950 CG LEU A 73 1.180 5.553 -0.700 1.00 0.00 C ATOM 951 CD1 LEU A 73 1.600 4.349 0.159 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.192 5.280 -1.333 1.00 0.00 C ATOM 0 H LEU A 73 1.694 9.040 1.619 1.00 0.00 H new ATOM 0 HA LEU A 73 3.042 6.441 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.416 6.670 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.702 7.640 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 73 1.923 5.698 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.641 3.455 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.583 4.536 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.874 4.202 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.141 4.374 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.936 5.151 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.475 6.121 -1.966 1.00 0.00 H new ATOM 963 N ALA A 74 4.158 7.201 -1.045 1.00 0.00 N ATOM 964 CA ALA A 74 5.005 7.682 -2.139 1.00 0.00 C ATOM 965 C ALA A 74 5.113 6.676 -3.309 1.00 0.00 C ATOM 966 O ALA A 74 6.100 5.943 -3.437 1.00 0.00 O ATOM 967 CB ALA A 74 6.370 8.049 -1.543 1.00 0.00 C ATOM 0 H ALA A 74 4.257 6.201 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 74 4.550 8.564 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.027 8.412 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.241 8.828 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.813 7.168 -1.079 1.00 0.00 H new ATOM 973 N GLU A 75 4.101 6.668 -4.182 1.00 0.00 N ATOM 974 CA GLU A 75 4.160 6.089 -5.532 1.00 0.00 C ATOM 975 C GLU A 75 4.778 7.171 -6.457 1.00 0.00 C ATOM 976 O GLU A 75 4.135 8.210 -6.677 1.00 0.00 O ATOM 977 CB GLU A 75 2.737 5.648 -5.945 1.00 0.00 C ATOM 978 CG GLU A 75 2.680 4.566 -7.032 1.00 0.00 C ATOM 979 CD GLU A 75 3.105 5.096 -8.400 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.314 5.811 -9.058 1.00 0.00 O ATOM 981 OE2 GLU A 75 4.248 4.833 -8.822 1.00 0.00 O ATOM 0 H GLU A 75 3.191 7.075 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 75 4.783 5.197 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.216 5.280 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.190 6.523 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.327 3.736 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.666 4.172 -7.097 1.00 0.00 H new ATOM 986 N PRO A 76 6.047 7.025 -6.894 1.00 0.00 N ATOM 987 CA PRO A 76 6.953 8.157 -7.142 1.00 0.00 C ATOM 988 C PRO A 76 6.794 8.851 -8.498 1.00 0.00 C ATOM 989 O PRO A 76 6.830 10.103 -8.533 1.00 0.00 O ATOM 990 CB PRO A 76 8.367 7.587 -6.972 1.00 0.00 C ATOM 991 CG PRO A 76 8.208 6.131 -7.402 1.00 0.00 C ATOM 992 CD PRO A 76 6.821 5.788 -6.865 1.00 0.00 C ATOM 0 HA PRO A 76 6.718 8.956 -6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.091 8.114 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.713 7.667 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.265 6.017 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.980 5.493 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.347 5.020 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.884 5.394 -5.851 1.00 0.00 H new