USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 580 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 5 THR OG1 : rot 81:sc= 1.19 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.07 K(o=2.3,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.701 K(o=0.7,f=-0.27) USER MOD Single : A 18 HIS : no HD1:sc= 0.0618 X(o=0.062,f=-0.35) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.24) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00284 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 130:sc= 1.28 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 39 SER OG : rot 19:sc= 0.843 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 0.0696 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.140 -3.130 -17.607 1.00 0.00 N ATOM 2 CA MET A 1 -10.370 -2.427 -16.322 1.00 0.00 C ATOM 3 C MET A 1 -9.052 -1.809 -15.762 1.00 0.00 C ATOM 4 O MET A 1 -8.268 -2.476 -15.080 1.00 0.00 O ATOM 5 CB MET A 1 -11.057 -3.419 -15.352 1.00 0.00 C ATOM 6 CG MET A 1 -11.502 -2.801 -14.016 1.00 0.00 C ATOM 7 SD MET A 1 -12.249 -4.076 -12.987 1.00 0.00 S ATOM 8 CE MET A 1 -12.362 -3.161 -11.439 1.00 0.00 C ATOM 0 H1 MET A 1 -11.037 -3.528 -17.950 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.769 -2.458 -18.309 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.453 -3.897 -17.465 1.00 0.00 H new ATOM 0 HA MET A 1 -11.032 -1.572 -16.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.928 -3.847 -15.848 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.371 -4.241 -15.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.647 -2.360 -13.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.216 -1.997 -14.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.806 -3.796 -10.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.365 -2.855 -11.124 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.984 -2.277 -11.583 1.00 0.00 H new ATOM 19 N LYS A 2 -8.853 -0.500 -15.974 1.00 0.00 N ATOM 20 CA LYS A 2 -7.767 0.268 -15.290 1.00 0.00 C ATOM 21 C LYS A 2 -8.261 0.856 -13.908 1.00 0.00 C ATOM 22 O LYS A 2 -8.379 2.069 -13.719 1.00 0.00 O ATOM 23 CB LYS A 2 -7.270 1.384 -16.245 1.00 0.00 C ATOM 24 CG LYS A 2 -6.558 0.935 -17.531 1.00 0.00 C ATOM 25 CD LYS A 2 -5.151 0.345 -17.362 1.00 0.00 C ATOM 26 CE LYS A 2 -4.101 1.372 -16.930 1.00 0.00 C ATOM 27 NZ LYS A 2 -2.760 0.764 -17.021 1.00 0.00 N ATOM 0 H LYS A 2 -9.421 0.060 -16.609 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.937 -0.400 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.127 1.995 -16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.590 2.028 -15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.183 0.192 -18.026 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.491 1.792 -18.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.189 -0.456 -16.623 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.840 -0.105 -18.305 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.156 2.256 -17.566 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.295 1.701 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.043 1.459 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.712 -0.067 -16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.578 0.471 -18.002 1.00 0.00 H new ATOM 40 N ALA A 3 -8.571 -0.037 -12.956 1.00 0.00 N ATOM 41 CA ALA A 3 -9.173 0.335 -11.649 1.00 0.00 C ATOM 42 C ALA A 3 -8.873 -0.721 -10.528 1.00 0.00 C ATOM 43 O ALA A 3 -8.479 -1.860 -10.795 1.00 0.00 O ATOM 44 CB ALA A 3 -10.687 0.530 -11.861 1.00 0.00 C ATOM 0 H ALA A 3 -8.415 -1.039 -13.062 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.723 1.263 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.154 0.804 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.853 1.322 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.126 -0.398 -12.227 1.00 0.00 H new ATOM 50 N LEU A 4 -9.044 -0.313 -9.265 1.00 0.00 N ATOM 51 CA LEU A 4 -8.744 -1.169 -8.086 1.00 0.00 C ATOM 52 C LEU A 4 -10.026 -1.584 -7.278 1.00 0.00 C ATOM 53 O LEU A 4 -11.039 -0.880 -7.248 1.00 0.00 O ATOM 54 CB LEU A 4 -7.788 -0.383 -7.142 1.00 0.00 C ATOM 55 CG LEU A 4 -6.356 -0.118 -7.655 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.633 0.773 -6.633 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.559 -1.406 -7.867 1.00 0.00 C ATOM 0 H LEU A 4 -9.392 0.614 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.290 -2.088 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.250 0.578 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.715 -0.930 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.429 0.372 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.618 0.972 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.171 1.715 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.596 0.265 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.560 -1.161 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.481 -1.945 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.067 -2.031 -8.601 1.00 0.00 H new ATOM 69 N THR A 5 -9.926 -2.704 -6.548 1.00 0.00 N ATOM 70 CA THR A 5 -10.946 -3.111 -5.533 1.00 0.00 C ATOM 71 C THR A 5 -10.970 -2.139 -4.291 1.00 0.00 C ATOM 72 O THR A 5 -9.973 -1.482 -3.993 1.00 0.00 O ATOM 73 CB THR A 5 -10.617 -4.570 -5.056 1.00 0.00 C ATOM 74 OG1 THR A 5 -10.271 -5.441 -6.131 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.765 -5.284 -4.360 1.00 0.00 C ATOM 0 H THR A 5 -9.148 -3.358 -6.633 1.00 0.00 H new ATOM 0 HA THR A 5 -11.931 -3.065 -5.997 1.00 0.00 H new ATOM 0 HB THR A 5 -9.789 -4.397 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.331 -5.304 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.447 -6.284 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.059 -4.722 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.613 -5.359 -5.041 1.00 0.00 H new ATOM 83 N ALA A 6 -12.080 -2.087 -3.545 1.00 0.00 N ATOM 84 CA ALA A 6 -12.242 -1.157 -2.388 1.00 0.00 C ATOM 85 C ALA A 6 -11.127 -1.167 -1.284 1.00 0.00 C ATOM 86 O ALA A 6 -10.519 -0.124 -1.041 1.00 0.00 O ATOM 87 CB ALA A 6 -13.646 -1.399 -1.818 1.00 0.00 C ATOM 0 H ALA A 6 -12.894 -2.678 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.119 -0.145 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.812 -0.739 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.391 -1.194 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.734 -2.436 -1.496 1.00 0.00 H new ATOM 93 N ARG A 7 -10.810 -2.328 -0.691 1.00 0.00 N ATOM 94 CA ARG A 7 -9.637 -2.471 0.225 1.00 0.00 C ATOM 95 C ARG A 7 -8.221 -2.268 -0.439 1.00 0.00 C ATOM 96 O ARG A 7 -7.351 -1.687 0.209 1.00 0.00 O ATOM 97 CB ARG A 7 -9.718 -3.833 0.952 1.00 0.00 C ATOM 98 CG ARG A 7 -10.861 -3.978 1.983 1.00 0.00 C ATOM 99 CD ARG A 7 -10.448 -3.838 3.454 1.00 0.00 C ATOM 100 NE ARG A 7 -10.462 -2.441 3.951 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.135 -2.084 5.195 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.710 -2.903 6.113 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.250 -0.848 5.538 1.00 0.00 N ATOM 0 H ARG A 7 -11.341 -3.189 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.714 -1.646 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.828 -4.617 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.770 -4.009 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.621 -3.228 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.328 -4.953 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.119 -4.439 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.446 -4.248 3.581 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.739 -1.706 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.607 -3.896 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.480 -2.552 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.586 -0.161 4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.005 -0.556 6.484 1.00 0.00 H new ATOM 116 N GLN A 8 -8.001 -2.673 -1.705 1.00 0.00 N ATOM 117 CA GLN A 8 -6.796 -2.248 -2.481 1.00 0.00 C ATOM 118 C GLN A 8 -6.656 -0.675 -2.679 1.00 0.00 C ATOM 119 O GLN A 8 -5.592 -0.120 -2.409 1.00 0.00 O ATOM 120 CB GLN A 8 -6.798 -2.898 -3.892 1.00 0.00 C ATOM 121 CG GLN A 8 -6.573 -4.416 -3.968 1.00 0.00 C ATOM 122 CD GLN A 8 -6.562 -4.908 -5.413 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.600 -5.111 -6.034 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.412 -5.078 -6.010 1.00 0.00 N ATOM 0 H GLN A 8 -8.631 -3.290 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.952 -2.583 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.754 -2.674 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.026 -2.412 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.627 -4.669 -3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.358 -4.930 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.544 -4.911 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.383 -5.377 -6.985 1.00 0.00 H new ATOM 133 N GLN A 9 -7.724 -0.005 -3.132 1.00 0.00 N ATOM 134 CA GLN A 9 -7.816 1.477 -3.228 1.00 0.00 C ATOM 135 C GLN A 9 -7.594 2.262 -1.894 1.00 0.00 C ATOM 136 O GLN A 9 -6.850 3.241 -1.904 1.00 0.00 O ATOM 137 CB GLN A 9 -9.189 1.774 -3.881 1.00 0.00 C ATOM 138 CG GLN A 9 -9.396 3.211 -4.398 1.00 0.00 C ATOM 139 CD GLN A 9 -8.627 3.572 -5.659 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.857 3.048 -6.741 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.704 4.492 -5.591 1.00 0.00 N ATOM 0 H GLN A 9 -8.570 -0.477 -3.451 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.986 1.845 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.329 1.086 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.970 1.555 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.459 3.361 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.111 3.907 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.497 4.941 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.190 4.762 -6.430 1.00 0.00 H new ATOM 150 N GLU A 10 -8.170 1.818 -0.765 1.00 0.00 N ATOM 151 CA GLU A 10 -7.803 2.317 0.591 1.00 0.00 C ATOM 152 C GLU A 10 -6.274 2.190 0.973 1.00 0.00 C ATOM 153 O GLU A 10 -5.690 3.169 1.437 1.00 0.00 O ATOM 154 CB GLU A 10 -8.662 1.575 1.648 1.00 0.00 C ATOM 155 CG GLU A 10 -10.168 1.913 1.650 1.00 0.00 C ATOM 156 CD GLU A 10 -10.925 1.056 2.654 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.172 1.410 3.801 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.244 -0.169 2.153 1.00 0.00 O ATOM 0 H GLU A 10 -8.901 1.107 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.003 3.388 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.550 0.502 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.258 1.796 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.306 2.967 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.579 1.758 0.653 1.00 0.00 H new ATOM 166 N VAL A 11 -5.645 1.025 0.753 1.00 0.00 N ATOM 167 CA VAL A 11 -4.164 0.837 0.917 1.00 0.00 C ATOM 168 C VAL A 11 -3.300 1.775 -0.017 1.00 0.00 C ATOM 169 O VAL A 11 -2.389 2.448 0.471 1.00 0.00 O ATOM 170 CB VAL A 11 -3.822 -0.685 0.746 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.314 -1.009 0.836 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.498 -1.586 1.808 1.00 0.00 C ATOM 0 H VAL A 11 -6.132 0.179 0.457 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.888 1.150 1.924 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.199 -0.894 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.164 -2.081 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.779 -0.471 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.934 -0.704 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.221 -2.625 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.169 -1.285 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.581 -1.483 1.737 1.00 0.00 H new ATOM 182 N PHE A 12 -3.612 1.825 -1.318 1.00 0.00 N ATOM 183 CA PHE A 12 -3.024 2.802 -2.279 1.00 0.00 C ATOM 184 C PHE A 12 -3.222 4.319 -1.947 1.00 0.00 C ATOM 185 O PHE A 12 -2.248 5.073 -1.992 1.00 0.00 O ATOM 186 CB PHE A 12 -3.585 2.374 -3.657 1.00 0.00 C ATOM 187 CG PHE A 12 -3.087 3.148 -4.882 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.723 3.209 -5.216 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.014 3.778 -5.724 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.305 3.889 -6.360 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.598 4.435 -6.880 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.244 4.492 -7.194 1.00 0.00 C ATOM 0 H PHE A 12 -4.283 1.189 -1.749 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.936 2.756 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.352 1.320 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.671 2.458 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.994 2.726 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.064 3.754 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.253 3.948 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.325 4.899 -7.531 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.920 5.005 -8.087 1.00 0.00 H new ATOM 202 N ASP A 13 -4.433 4.767 -1.591 1.00 0.00 N ATOM 203 CA ASP A 13 -4.656 6.146 -1.076 1.00 0.00 C ATOM 204 C ASP A 13 -3.999 6.503 0.303 1.00 0.00 C ATOM 205 O ASP A 13 -3.642 7.667 0.486 1.00 0.00 O ATOM 206 CB ASP A 13 -6.167 6.471 -1.090 1.00 0.00 C ATOM 207 CG ASP A 13 -6.691 6.797 -2.480 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.434 6.069 -3.128 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.221 7.993 -2.931 1.00 0.00 O ATOM 0 H ASP A 13 -5.281 4.203 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.116 6.791 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.720 5.621 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.358 7.316 -0.428 1.00 0.00 H new ATOM 215 N LEU A 14 -3.786 5.553 1.228 1.00 0.00 N ATOM 216 CA LEU A 14 -2.964 5.798 2.452 1.00 0.00 C ATOM 217 C LEU A 14 -1.453 6.085 2.172 1.00 0.00 C ATOM 218 O LEU A 14 -0.941 7.074 2.697 1.00 0.00 O ATOM 219 CB LEU A 14 -3.221 4.646 3.452 1.00 0.00 C ATOM 220 CG LEU A 14 -2.937 4.989 4.933 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.673 3.992 5.838 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.456 4.975 5.310 1.00 0.00 C ATOM 0 H LEU A 14 -4.164 4.608 1.164 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.288 6.735 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.261 4.331 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.604 3.794 3.167 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.292 6.010 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.474 4.233 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.745 4.053 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.324 2.981 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.347 5.226 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.044 3.982 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.920 5.707 4.706 1.00 0.00 H new ATOM 234 N ILE A 15 -0.752 5.303 1.329 1.00 0.00 N ATOM 235 CA ILE A 15 0.586 5.721 0.786 1.00 0.00 C ATOM 236 C ILE A 15 0.615 7.077 0.001 1.00 0.00 C ATOM 237 O ILE A 15 1.502 7.885 0.277 1.00 0.00 O ATOM 238 CB ILE A 15 1.326 4.539 0.064 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.766 4.952 -0.360 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.553 3.964 -1.130 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.725 3.801 -0.628 1.00 0.00 C ATOM 0 H ILE A 15 -1.070 4.390 1.004 1.00 0.00 H new ATOM 0 HA ILE A 15 1.176 5.965 1.669 1.00 0.00 H new ATOM 0 HB ILE A 15 1.389 3.738 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.700 5.564 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.190 5.581 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.126 3.152 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.411 3.584 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.393 4.747 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.698 4.198 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.831 3.198 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.333 3.181 -1.434 1.00 0.00 H new ATOM 253 N ARG A 16 -0.328 7.355 -0.909 1.00 0.00 N ATOM 254 CA ARG A 16 -0.485 8.717 -1.514 1.00 0.00 C ATOM 255 C ARG A 16 -0.661 9.898 -0.478 1.00 0.00 C ATOM 256 O ARG A 16 0.018 10.917 -0.603 1.00 0.00 O ATOM 257 CB ARG A 16 -1.648 8.680 -2.532 1.00 0.00 C ATOM 258 CG ARG A 16 -1.357 7.853 -3.804 1.00 0.00 C ATOM 259 CD ARG A 16 -2.612 7.450 -4.587 1.00 0.00 C ATOM 260 NE ARG A 16 -3.259 8.608 -5.243 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.395 8.574 -5.914 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.110 7.502 -6.099 1.00 0.00 N ATOM 263 NH2 ARG A 16 -4.813 9.682 -6.420 1.00 0.00 N ATOM 0 H ARG A 16 -1.000 6.668 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 16 0.457 8.948 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.531 8.271 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.891 9.701 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.703 8.430 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.812 6.952 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.345 6.710 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.322 6.974 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.787 9.509 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.801 6.610 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.979 7.554 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.271 10.537 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.686 9.705 -6.947 1.00 0.00 H new ATOM 276 N ASP A 17 -1.492 9.715 0.558 1.00 0.00 N ATOM 277 CA ASP A 17 -1.549 10.610 1.748 1.00 0.00 C ATOM 278 C ASP A 17 -0.215 10.743 2.572 1.00 0.00 C ATOM 279 O ASP A 17 0.223 11.865 2.818 1.00 0.00 O ATOM 280 CB ASP A 17 -2.748 10.088 2.577 1.00 0.00 C ATOM 281 CG ASP A 17 -3.192 10.951 3.734 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.191 10.574 4.901 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.579 12.194 3.338 1.00 0.00 O ATOM 0 H ASP A 17 -2.153 8.939 0.605 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.684 11.644 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.596 9.955 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.492 9.102 2.965 1.00 0.00 H new ATOM 289 N HIS A 18 0.425 9.638 2.974 1.00 0.00 N ATOM 290 CA HIS A 18 1.736 9.656 3.699 1.00 0.00 C ATOM 291 C HIS A 18 2.967 10.262 2.917 1.00 0.00 C ATOM 292 O HIS A 18 3.758 11.013 3.496 1.00 0.00 O ATOM 293 CB HIS A 18 2.027 8.205 4.168 1.00 0.00 C ATOM 294 CG HIS A 18 2.286 8.010 5.665 1.00 0.00 C ATOM 295 ND1 HIS A 18 1.368 8.387 6.637 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.273 7.177 6.232 1.00 0.00 C ATOM 297 CE1 HIS A 18 1.896 7.735 7.721 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.040 7.002 7.580 1.00 0.00 N ATOM 0 H HIS A 18 0.062 8.698 2.814 1.00 0.00 H new ATOM 0 HA HIS A 18 1.623 10.349 4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.182 7.578 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.895 7.837 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.096 6.738 5.687 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.409 7.801 8.683 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.571 6.475 8.274 1.00 0.00 H new ATOM 306 N ILE A 19 3.098 9.960 1.617 1.00 0.00 N ATOM 307 CA ILE A 19 4.066 10.641 0.699 1.00 0.00 C ATOM 308 C ILE A 19 3.750 12.179 0.508 1.00 0.00 C ATOM 309 O ILE A 19 4.670 12.986 0.634 1.00 0.00 O ATOM 310 CB ILE A 19 4.149 9.855 -0.660 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.659 8.389 -0.526 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.964 10.564 -1.768 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.115 8.175 -0.124 1.00 0.00 C ATOM 0 H ILE A 19 2.542 9.238 1.157 1.00 0.00 H new ATOM 0 HA ILE A 19 5.053 10.619 1.162 1.00 0.00 H new ATOM 0 HB ILE A 19 3.103 9.833 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.031 7.882 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.499 7.890 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.967 9.949 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.512 11.530 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.989 10.713 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.325 7.107 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.768 8.637 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.294 8.628 0.851 1.00 0.00 H new ATOM 325 N SER A 20 2.500 12.582 0.218 1.00 0.00 N ATOM 326 CA SER A 20 2.137 14.020 0.067 1.00 0.00 C ATOM 327 C SER A 20 2.112 14.911 1.360 1.00 0.00 C ATOM 328 O SER A 20 2.421 16.099 1.262 1.00 0.00 O ATOM 329 CB SER A 20 0.768 14.090 -0.655 1.00 0.00 C ATOM 330 OG SER A 20 0.454 15.430 -1.040 1.00 0.00 O ATOM 0 H SER A 20 1.719 11.940 0.082 1.00 0.00 H new ATOM 0 HA SER A 20 2.955 14.459 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.786 13.450 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.012 13.705 0.002 1.00 0.00 H new ATOM 0 HG SER A 20 -0.414 15.445 -1.495 1.00 0.00 H new ATOM 336 N GLN A 21 1.721 14.379 2.524 1.00 0.00 N ATOM 337 CA GLN A 21 1.774 15.120 3.818 1.00 0.00 C ATOM 338 C GLN A 21 3.192 15.231 4.514 1.00 0.00 C ATOM 339 O GLN A 21 3.365 16.074 5.396 1.00 0.00 O ATOM 340 CB GLN A 21 0.824 14.409 4.832 1.00 0.00 C ATOM 341 CG GLN A 21 -0.678 14.480 4.490 1.00 0.00 C ATOM 342 CD GLN A 21 -1.653 13.691 5.354 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.846 13.971 5.372 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.269 12.616 6.002 1.00 0.00 N ATOM 0 H GLN A 21 1.359 13.429 2.610 1.00 0.00 H new ATOM 0 HA GLN A 21 1.484 16.139 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.114 13.361 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.976 14.849 5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.977 15.528 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.801 14.145 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.284 12.350 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.955 12.047 6.497 1.00 0.00 H new ATOM 353 N THR A 22 4.142 14.344 4.203 1.00 0.00 N ATOM 354 CA THR A 22 5.481 14.296 4.867 1.00 0.00 C ATOM 355 C THR A 22 6.599 13.804 3.889 1.00 0.00 C ATOM 356 O THR A 22 7.628 14.470 3.768 1.00 0.00 O ATOM 357 CB THR A 22 5.399 13.457 6.181 1.00 0.00 C ATOM 358 OG1 THR A 22 4.443 14.030 7.072 1.00 0.00 O ATOM 359 CG2 THR A 22 6.694 13.396 6.982 1.00 0.00 C ATOM 0 H THR A 22 4.020 13.631 3.484 1.00 0.00 H new ATOM 0 HA THR A 22 5.769 15.309 5.148 1.00 0.00 H new ATOM 0 HB THR A 22 5.140 12.455 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.398 13.495 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.540 12.792 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.478 12.948 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.991 14.404 7.271 1.00 0.00 H new ATOM 367 N GLY A 23 6.411 12.647 3.241 1.00 0.00 N ATOM 368 CA GLY A 23 7.416 12.048 2.328 1.00 0.00 C ATOM 369 C GLY A 23 7.955 10.665 2.733 1.00 0.00 C ATOM 370 O GLY A 23 9.151 10.418 2.573 1.00 0.00 O ATOM 0 H GLY A 23 5.559 12.093 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.973 11.967 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.259 12.735 2.246 1.00 0.00 H new ATOM 374 N MET A 24 7.092 9.762 3.227 1.00 0.00 N ATOM 375 CA MET A 24 7.535 8.479 3.836 1.00 0.00 C ATOM 376 C MET A 24 6.584 7.274 3.517 1.00 0.00 C ATOM 377 O MET A 24 5.369 7.432 3.673 1.00 0.00 O ATOM 378 CB MET A 24 7.801 8.676 5.351 1.00 0.00 C ATOM 379 CG MET A 24 6.606 9.056 6.234 1.00 0.00 C ATOM 380 SD MET A 24 7.196 9.516 7.872 1.00 0.00 S ATOM 381 CE MET A 24 5.610 9.853 8.651 1.00 0.00 C ATOM 0 H MET A 24 6.080 9.889 3.220 1.00 0.00 H new ATOM 0 HA MET A 24 8.477 8.195 3.368 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.228 7.752 5.741 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.561 9.449 5.462 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.058 9.885 5.787 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.913 8.218 6.307 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.770 10.157 9.685 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.103 10.653 8.112 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.995 8.953 8.628 1.00 0.00 H new ATOM 391 N PRO A 25 7.051 6.064 3.087 1.00 0.00 N ATOM 392 CA PRO A 25 6.127 4.944 2.708 1.00 0.00 C ATOM 393 C PRO A 25 5.597 4.084 3.904 1.00 0.00 C ATOM 394 O PRO A 25 6.421 3.522 4.633 1.00 0.00 O ATOM 395 CB PRO A 25 7.005 4.137 1.718 1.00 0.00 C ATOM 396 CG PRO A 25 8.455 4.357 2.191 1.00 0.00 C ATOM 397 CD PRO A 25 8.458 5.806 2.698 1.00 0.00 C ATOM 0 HA PRO A 25 5.188 5.304 2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.743 3.079 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.867 4.486 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.729 3.656 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.167 4.216 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.133 5.929 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.789 6.497 1.923 1.00 0.00 H new ATOM 405 N PRO A 26 4.269 3.912 4.144 1.00 0.00 N ATOM 406 CA PRO A 26 3.751 3.092 5.286 1.00 0.00 C ATOM 407 C PRO A 26 3.808 1.561 5.037 1.00 0.00 C ATOM 408 O PRO A 26 3.300 1.046 4.036 1.00 0.00 O ATOM 409 CB PRO A 26 2.298 3.625 5.428 1.00 0.00 C ATOM 410 CG PRO A 26 1.894 4.038 3.997 1.00 0.00 C ATOM 411 CD PRO A 26 3.195 4.547 3.363 1.00 0.00 C ATOM 0 HA PRO A 26 4.352 3.196 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.631 2.858 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.251 4.471 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.485 3.194 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.128 4.814 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.256 4.271 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.260 5.634 3.412 1.00 0.00 H new ATOM 419 N THR A 27 4.416 0.833 5.975 1.00 0.00 N ATOM 420 CA THR A 27 4.555 -0.651 5.881 1.00 0.00 C ATOM 421 C THR A 27 3.263 -1.453 6.233 1.00 0.00 C ATOM 422 O THR A 27 2.276 -0.905 6.730 1.00 0.00 O ATOM 423 CB THR A 27 5.819 -1.057 6.691 1.00 0.00 C ATOM 424 OG1 THR A 27 6.251 -2.360 6.300 1.00 0.00 O ATOM 425 CG2 THR A 27 5.719 -1.067 8.210 1.00 0.00 C ATOM 0 H THR A 27 4.827 1.234 6.818 1.00 0.00 H new ATOM 0 HA THR A 27 4.694 -0.933 4.837 1.00 0.00 H new ATOM 0 HB THR A 27 6.518 -0.258 6.445 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.209 -2.339 6.094 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.676 -1.369 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.464 -0.068 8.564 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.946 -1.770 8.519 1.00 0.00 H new ATOM 433 N ARG A 28 3.289 -2.774 6.014 1.00 0.00 N ATOM 434 CA ARG A 28 2.185 -3.698 6.409 1.00 0.00 C ATOM 435 C ARG A 28 1.615 -3.629 7.871 1.00 0.00 C ATOM 436 O ARG A 28 0.406 -3.778 8.050 1.00 0.00 O ATOM 437 CB ARG A 28 2.568 -5.137 5.984 1.00 0.00 C ATOM 438 CG ARG A 28 3.767 -5.773 6.708 1.00 0.00 C ATOM 439 CD ARG A 28 4.035 -7.197 6.212 1.00 0.00 C ATOM 440 NE ARG A 28 5.207 -7.773 6.910 1.00 0.00 N ATOM 441 CZ ARG A 28 6.467 -7.703 6.508 1.00 0.00 C ATOM 442 NH1 ARG A 28 6.865 -7.102 5.426 1.00 0.00 N ATOM 443 NH2 ARG A 28 7.354 -8.273 7.248 1.00 0.00 N ATOM 0 H ARG A 28 4.070 -3.246 5.559 1.00 0.00 H new ATOM 0 HA ARG A 28 1.317 -3.327 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.700 -5.779 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.780 -5.132 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.654 -5.160 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.577 -5.791 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.158 -7.821 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.212 -7.187 5.137 1.00 0.00 H new ATOM 0 HE ARG A 28 5.027 -8.270 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.187 -6.641 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.856 -7.091 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.073 -8.752 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.337 -8.245 6.978 1.00 0.00 H new ATOM 456 N ALA A 29 2.458 -3.366 8.881 1.00 0.00 N ATOM 457 CA ALA A 29 1.991 -2.979 10.237 1.00 0.00 C ATOM 458 C ALA A 29 1.275 -1.587 10.352 1.00 0.00 C ATOM 459 O ALA A 29 0.205 -1.529 10.953 1.00 0.00 O ATOM 460 CB ALA A 29 3.203 -3.086 11.173 1.00 0.00 C ATOM 0 H ALA A 29 3.473 -3.412 8.791 1.00 0.00 H new ATOM 0 HA ALA A 29 1.193 -3.665 10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.907 -2.810 12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.575 -4.110 11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.989 -2.414 10.829 1.00 0.00 H new ATOM 466 N GLU A 30 1.817 -0.510 9.757 1.00 0.00 N ATOM 467 CA GLU A 30 1.110 0.807 9.660 1.00 0.00 C ATOM 468 C GLU A 30 -0.265 0.782 8.886 1.00 0.00 C ATOM 469 O GLU A 30 -1.256 1.320 9.386 1.00 0.00 O ATOM 470 CB GLU A 30 2.059 1.847 8.998 1.00 0.00 C ATOM 471 CG GLU A 30 3.262 2.257 9.865 1.00 0.00 C ATOM 472 CD GLU A 30 4.229 3.188 9.152 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.024 4.386 8.983 1.00 0.00 O ATOM 474 OE2 GLU A 30 5.357 2.542 8.743 1.00 0.00 O ATOM 0 H GLU A 30 2.744 -0.512 9.331 1.00 0.00 H new ATOM 0 HA GLU A 30 0.856 1.080 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.428 1.436 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.484 2.740 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.899 2.745 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.797 1.361 10.179 1.00 0.00 H new ATOM 482 N ILE A 31 -0.314 0.118 7.723 1.00 0.00 N ATOM 483 CA ILE A 31 -1.580 -0.235 7.011 1.00 0.00 C ATOM 484 C ILE A 31 -2.606 -1.045 7.899 1.00 0.00 C ATOM 485 O ILE A 31 -3.773 -0.657 7.963 1.00 0.00 O ATOM 486 CB ILE A 31 -1.205 -0.968 5.673 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.362 -0.122 4.669 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.417 -1.538 4.908 1.00 0.00 C ATOM 489 CD1 ILE A 31 -1.004 1.152 4.126 1.00 0.00 C ATOM 0 H ILE A 31 0.524 -0.198 7.234 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.120 0.684 6.780 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.586 -1.786 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.573 0.152 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.104 -0.759 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.074 -2.028 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.936 -2.262 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.098 -0.727 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.314 1.644 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.923 0.899 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.235 1.824 4.953 1.00 0.00 H new ATOM 501 N ALA A 32 -2.179 -2.119 8.585 1.00 0.00 N ATOM 502 CA ALA A 32 -3.019 -2.810 9.597 1.00 0.00 C ATOM 503 C ALA A 32 -3.523 -1.984 10.827 1.00 0.00 C ATOM 504 O ALA A 32 -4.681 -2.148 11.219 1.00 0.00 O ATOM 505 CB ALA A 32 -2.248 -4.068 10.024 1.00 0.00 C ATOM 0 H ALA A 32 -1.255 -2.534 8.461 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.968 -3.032 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.826 -4.613 10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.083 -4.706 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.287 -3.779 10.450 1.00 0.00 H new ATOM 511 N GLN A 33 -2.689 -1.105 11.396 1.00 0.00 N ATOM 512 CA GLN A 33 -3.095 -0.177 12.481 1.00 0.00 C ATOM 513 C GLN A 33 -4.156 0.911 12.080 1.00 0.00 C ATOM 514 O GLN A 33 -5.146 1.054 12.798 1.00 0.00 O ATOM 515 CB GLN A 33 -1.821 0.512 13.053 1.00 0.00 C ATOM 516 CG GLN A 33 -0.898 -0.409 13.880 1.00 0.00 C ATOM 517 CD GLN A 33 0.421 0.251 14.257 1.00 0.00 C ATOM 518 OE1 GLN A 33 1.396 0.243 13.515 1.00 0.00 O ATOM 519 NE2 GLN A 33 0.510 0.850 15.416 1.00 0.00 N ATOM 0 H GLN A 33 -1.711 -1.010 11.123 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.598 -0.792 13.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.247 0.927 12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.129 1.350 13.679 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.418 -0.714 14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.694 -1.316 13.310 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.293 0.865 16.045 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.382 1.302 15.691 1.00 0.00 H new ATOM 528 N ARG A 34 -3.945 1.676 10.996 1.00 0.00 N ATOM 529 CA ARG A 34 -4.875 2.777 10.603 1.00 0.00 C ATOM 530 C ARG A 34 -6.124 2.357 9.762 1.00 0.00 C ATOM 531 O ARG A 34 -7.196 2.916 10.001 1.00 0.00 O ATOM 532 CB ARG A 34 -4.011 3.911 9.994 1.00 0.00 C ATOM 533 CG ARG A 34 -4.765 5.244 9.801 1.00 0.00 C ATOM 534 CD ARG A 34 -3.869 6.493 9.797 1.00 0.00 C ATOM 535 NE ARG A 34 -3.189 6.697 8.499 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.453 7.753 8.181 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.191 8.742 8.985 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.964 7.805 6.992 1.00 0.00 N ATOM 0 H ARG A 34 -3.146 1.563 10.372 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.384 3.143 11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.150 4.083 10.639 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.625 3.581 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.313 5.203 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.504 5.346 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.473 7.370 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.121 6.403 10.585 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.295 5.968 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.562 8.739 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.615 9.521 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.148 7.050 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.393 8.601 6.710 1.00 0.00 H new ATOM 551 N LEU A 35 -6.028 1.398 8.826 1.00 0.00 N ATOM 552 CA LEU A 35 -7.227 0.845 8.124 1.00 0.00 C ATOM 553 C LEU A 35 -7.997 -0.335 8.832 1.00 0.00 C ATOM 554 O LEU A 35 -9.129 -0.621 8.429 1.00 0.00 O ATOM 555 CB LEU A 35 -6.829 0.386 6.693 1.00 0.00 C ATOM 556 CG LEU A 35 -6.412 1.499 5.716 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.920 0.874 4.407 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.542 2.484 5.400 1.00 0.00 C ATOM 0 H LEU A 35 -5.144 0.984 8.530 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.931 1.677 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.005 -0.323 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.671 -0.153 6.259 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.619 2.063 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.625 1.663 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.064 0.231 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.721 0.283 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.180 3.242 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.377 1.948 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.874 2.964 6.321 1.00 0.00 H new ATOM 570 N GLY A 36 -7.412 -1.019 9.824 1.00 0.00 N ATOM 571 CA GLY A 36 -8.081 -2.140 10.523 1.00 0.00 C ATOM 572 C GLY A 36 -7.984 -3.514 9.840 1.00 0.00 C ATOM 573 O GLY A 36 -9.001 -4.087 9.446 1.00 0.00 O ATOM 0 H GLY A 36 -6.472 -0.819 10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.657 -2.223 11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.135 -1.890 10.643 1.00 0.00 H new ATOM 577 N PHE A 37 -6.767 -4.058 9.763 1.00 0.00 N ATOM 578 CA PHE A 37 -6.538 -5.458 9.328 1.00 0.00 C ATOM 579 C PHE A 37 -6.072 -6.293 10.567 1.00 0.00 C ATOM 580 O PHE A 37 -5.076 -5.957 11.213 1.00 0.00 O ATOM 581 CB PHE A 37 -5.475 -5.546 8.202 1.00 0.00 C ATOM 582 CG PHE A 37 -5.897 -4.958 6.848 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.597 -5.751 5.930 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.578 -3.636 6.489 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.969 -5.242 4.686 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.944 -3.130 5.239 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.636 -3.934 4.339 1.00 0.00 C ATOM 0 H PHE A 37 -5.912 -3.554 9.996 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.470 -5.855 8.925 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.573 -5.033 8.536 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.210 -6.593 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.852 -6.768 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.045 -3.006 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.516 -5.862 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.690 -2.115 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.915 -3.544 3.371 1.00 0.00 H new ATOM 597 N ARG A 38 -6.765 -7.403 10.861 1.00 0.00 N ATOM 598 CA ARG A 38 -6.463 -8.253 12.057 1.00 0.00 C ATOM 599 C ARG A 38 -5.020 -8.891 12.190 1.00 0.00 C ATOM 600 O ARG A 38 -4.650 -9.339 13.277 1.00 0.00 O ATOM 601 CB ARG A 38 -7.534 -9.379 12.143 1.00 0.00 C ATOM 602 CG ARG A 38 -8.952 -8.892 12.503 1.00 0.00 C ATOM 603 CD ARG A 38 -9.941 -10.062 12.619 1.00 0.00 C ATOM 604 NE ARG A 38 -11.267 -9.548 13.033 1.00 0.00 N ATOM 605 CZ ARG A 38 -12.281 -9.255 12.235 1.00 0.00 C ATOM 606 NH1 ARG A 38 -12.261 -9.371 10.940 1.00 0.00 N ATOM 607 NH2 ARG A 38 -13.361 -8.823 12.790 1.00 0.00 N ATOM 0 H ARG A 38 -7.542 -7.746 10.296 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.490 -7.548 12.888 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.575 -9.897 11.185 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.215 -10.109 12.887 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.921 -8.346 13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.301 -8.194 11.742 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.022 -10.580 11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.578 -10.789 13.346 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.413 -9.406 14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.421 -9.709 10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.086 -9.124 10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.407 -8.720 13.804 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.169 -8.584 12.216 1.00 0.00 H new ATOM 620 N SER A 39 -4.228 -8.936 11.115 1.00 0.00 N ATOM 621 CA SER A 39 -2.769 -9.210 11.187 1.00 0.00 C ATOM 622 C SER A 39 -1.990 -8.475 10.035 1.00 0.00 C ATOM 623 O SER A 39 -2.582 -8.231 8.973 1.00 0.00 O ATOM 624 CB SER A 39 -2.539 -10.738 11.135 1.00 0.00 C ATOM 625 OG SER A 39 -2.929 -11.339 12.371 1.00 0.00 O ATOM 0 H SER A 39 -4.569 -8.785 10.166 1.00 0.00 H new ATOM 0 HA SER A 39 -2.379 -8.821 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.112 -11.171 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.488 -10.948 10.936 1.00 0.00 H new ATOM 0 HG SER A 39 -3.518 -10.727 12.861 1.00 0.00 H new ATOM 631 N PRO A 40 -0.669 -8.150 10.147 1.00 0.00 N ATOM 632 CA PRO A 40 0.127 -7.586 8.996 1.00 0.00 C ATOM 633 C PRO A 40 0.177 -8.402 7.671 1.00 0.00 C ATOM 634 O PRO A 40 0.262 -7.797 6.603 1.00 0.00 O ATOM 635 CB PRO A 40 1.521 -7.346 9.630 1.00 0.00 C ATOM 636 CG PRO A 40 1.592 -8.331 10.816 1.00 0.00 C ATOM 637 CD PRO A 40 0.154 -8.368 11.358 1.00 0.00 C ATOM 0 HA PRO A 40 -0.360 -6.691 8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.319 -7.534 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.630 -6.315 9.966 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.923 -9.319 10.495 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.296 -7.991 11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.073 -9.323 11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.015 -7.592 12.105 1.00 0.00 H new ATOM 645 N ASN A 41 0.060 -9.736 7.718 1.00 0.00 N ATOM 646 CA ASN A 41 -0.136 -10.581 6.508 1.00 0.00 C ATOM 647 C ASN A 41 -1.456 -10.319 5.676 1.00 0.00 C ATOM 648 O ASN A 41 -1.408 -10.426 4.451 1.00 0.00 O ATOM 649 CB ASN A 41 -0.040 -12.080 6.885 1.00 0.00 C ATOM 650 CG ASN A 41 1.298 -12.528 7.449 1.00 0.00 C ATOM 651 OD1 ASN A 41 1.477 -12.640 8.655 1.00 0.00 O ATOM 652 ND2 ASN A 41 2.286 -12.780 6.629 1.00 0.00 N ATOM 0 H ASN A 41 0.097 -10.268 8.587 1.00 0.00 H new ATOM 0 HA ASN A 41 0.672 -10.285 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.816 -12.303 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.258 -12.675 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.193 -13.066 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.149 -12.690 5.622 1.00 0.00 H new ATOM 659 N ALA A 42 -2.585 -9.955 6.308 1.00 0.00 N ATOM 660 CA ALA A 42 -3.784 -9.446 5.580 1.00 0.00 C ATOM 661 C ALA A 42 -3.641 -8.044 4.887 1.00 0.00 C ATOM 662 O ALA A 42 -4.114 -7.878 3.761 1.00 0.00 O ATOM 663 CB ALA A 42 -4.946 -9.477 6.583 1.00 0.00 C ATOM 0 H ALA A 42 -2.703 -10.000 7.320 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.953 -10.097 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.853 -9.113 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.103 -10.500 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.708 -8.841 7.435 1.00 0.00 H new ATOM 669 N ALA A 43 -2.957 -7.076 5.519 1.00 0.00 N ATOM 670 CA ALA A 43 -2.445 -5.865 4.819 1.00 0.00 C ATOM 671 C ALA A 43 -1.423 -6.124 3.649 1.00 0.00 C ATOM 672 O ALA A 43 -1.594 -5.584 2.555 1.00 0.00 O ATOM 673 CB ALA A 43 -1.847 -4.980 5.921 1.00 0.00 C ATOM 0 H ALA A 43 -2.741 -7.100 6.515 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.271 -5.389 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.449 -4.067 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.622 -4.725 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.044 -5.519 6.425 1.00 0.00 H new ATOM 679 N GLU A 44 -0.417 -6.982 3.875 1.00 0.00 N ATOM 680 CA GLU A 44 0.473 -7.528 2.809 1.00 0.00 C ATOM 681 C GLU A 44 -0.212 -8.245 1.598 1.00 0.00 C ATOM 682 O GLU A 44 0.273 -8.084 0.479 1.00 0.00 O ATOM 683 CB GLU A 44 1.468 -8.456 3.546 1.00 0.00 C ATOM 684 CG GLU A 44 2.661 -8.978 2.722 1.00 0.00 C ATOM 685 CD GLU A 44 3.580 -9.857 3.565 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.236 -10.920 4.075 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.820 -9.317 3.713 1.00 0.00 O ATOM 0 H GLU A 44 -0.186 -7.327 4.807 1.00 0.00 H new ATOM 0 HA GLU A 44 0.948 -6.688 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.859 -7.919 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.915 -9.314 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.294 -9.547 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.226 -8.135 2.324 1.00 0.00 H new ATOM 695 N GLU A 45 -1.309 -8.991 1.800 1.00 0.00 N ATOM 696 CA GLU A 45 -2.132 -9.558 0.691 1.00 0.00 C ATOM 697 C GLU A 45 -2.672 -8.532 -0.359 1.00 0.00 C ATOM 698 O GLU A 45 -2.513 -8.760 -1.560 1.00 0.00 O ATOM 699 CB GLU A 45 -3.235 -10.418 1.355 1.00 0.00 C ATOM 700 CG GLU A 45 -4.072 -11.310 0.417 1.00 0.00 C ATOM 701 CD GLU A 45 -3.312 -12.367 -0.366 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.292 -12.426 -1.589 1.00 0.00 O ATOM 703 OE2 GLU A 45 -2.644 -13.238 0.440 1.00 0.00 O ATOM 0 H GLU A 45 -1.660 -9.224 2.729 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.489 -10.168 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.765 -11.057 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.914 -9.751 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.836 -11.810 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.591 -10.666 -0.293 1.00 0.00 H new ATOM 711 N HIS A 46 -3.232 -7.393 0.079 1.00 0.00 N ATOM 712 CA HIS A 46 -3.509 -6.249 -0.835 1.00 0.00 C ATOM 713 C HIS A 46 -2.236 -5.532 -1.401 1.00 0.00 C ATOM 714 O HIS A 46 -2.239 -5.215 -2.588 1.00 0.00 O ATOM 715 CB HIS A 46 -4.468 -5.225 -0.184 1.00 0.00 C ATOM 716 CG HIS A 46 -5.878 -5.772 0.063 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.765 -6.105 -0.951 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.375 -6.190 1.304 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.731 -6.727 -0.209 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.597 -6.807 1.149 1.00 0.00 N ATOM 0 H HIS A 46 -3.503 -7.230 1.049 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.995 -6.701 -1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.044 -4.896 0.765 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.536 -4.346 -0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.871 -6.049 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.597 -7.153 -0.694 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.223 -7.208 1.847 1.00 0.00 H new ATOM 728 N LEU A 47 -1.164 -5.322 -0.617 1.00 0.00 N ATOM 729 CA LEU A 47 0.143 -4.834 -1.148 1.00 0.00 C ATOM 730 C LEU A 47 0.783 -5.694 -2.302 1.00 0.00 C ATOM 731 O LEU A 47 1.181 -5.114 -3.313 1.00 0.00 O ATOM 732 CB LEU A 47 1.151 -4.634 0.016 1.00 0.00 C ATOM 733 CG LEU A 47 0.817 -3.507 1.021 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.680 -3.640 2.286 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.071 -2.122 0.417 1.00 0.00 C ATOM 0 H LEU A 47 -1.167 -5.480 0.391 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.087 -3.881 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.230 -5.572 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.133 -4.432 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.240 -3.606 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.431 -2.839 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.487 -4.603 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.734 -3.572 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.826 -1.354 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.121 -2.034 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.448 -1.991 -0.467 1.00 0.00 H new ATOM 747 N LYS A 48 0.855 -7.032 -2.201 1.00 0.00 N ATOM 748 CA LYS A 48 1.250 -7.892 -3.357 1.00 0.00 C ATOM 749 C LYS A 48 0.281 -7.901 -4.584 1.00 0.00 C ATOM 750 O LYS A 48 0.764 -7.837 -5.715 1.00 0.00 O ATOM 751 CB LYS A 48 1.695 -9.288 -2.878 1.00 0.00 C ATOM 752 CG LYS A 48 0.623 -10.223 -2.298 1.00 0.00 C ATOM 753 CD LYS A 48 1.268 -11.530 -1.798 1.00 0.00 C ATOM 754 CE LYS A 48 0.227 -12.487 -1.212 1.00 0.00 C ATOM 755 NZ LYS A 48 0.866 -13.759 -0.828 1.00 0.00 N ATOM 0 H LYS A 48 0.650 -7.548 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 48 2.120 -7.402 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.163 -9.797 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.466 -9.152 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.104 -9.728 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.125 -10.446 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.788 -12.018 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.017 -11.300 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.247 -12.032 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.560 -12.673 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.150 -14.401 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.298 -14.197 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.601 -13.577 -0.115 1.00 0.00 H new ATOM 768 N ALA A 49 -1.048 -7.893 -4.390 1.00 0.00 N ATOM 769 CA ALA A 49 -2.015 -7.598 -5.483 1.00 0.00 C ATOM 770 C ALA A 49 -1.905 -6.186 -6.173 1.00 0.00 C ATOM 771 O ALA A 49 -2.010 -6.103 -7.398 1.00 0.00 O ATOM 772 CB ALA A 49 -3.411 -7.853 -4.899 1.00 0.00 C ATOM 0 H ALA A 49 -1.486 -8.086 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.780 -8.256 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.166 -7.652 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.487 -8.892 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.573 -7.196 -4.044 1.00 0.00 H new ATOM 778 N LEU A 50 -1.652 -5.108 -5.412 1.00 0.00 N ATOM 779 CA LEU A 50 -1.185 -3.806 -5.964 1.00 0.00 C ATOM 780 C LEU A 50 0.175 -3.855 -6.778 1.00 0.00 C ATOM 781 O LEU A 50 0.259 -3.210 -7.825 1.00 0.00 O ATOM 782 CB LEU A 50 -1.053 -2.776 -4.806 1.00 0.00 C ATOM 783 CG LEU A 50 -2.342 -2.328 -4.087 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.976 -1.526 -2.824 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.233 -1.444 -4.953 1.00 0.00 C ATOM 0 H LEU A 50 -1.762 -5.105 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.944 -3.513 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.383 -3.199 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.566 -1.886 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.891 -3.238 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.888 -1.210 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.386 -2.152 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.395 -0.648 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.123 -1.162 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.686 -0.546 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.528 -1.991 -5.849 1.00 0.00 H new ATOM 797 N ALA A 51 1.187 -4.617 -6.335 1.00 0.00 N ATOM 798 CA ALA A 51 2.394 -4.916 -7.150 1.00 0.00 C ATOM 799 C ALA A 51 2.211 -5.781 -8.444 1.00 0.00 C ATOM 800 O ALA A 51 2.915 -5.524 -9.422 1.00 0.00 O ATOM 801 CB ALA A 51 3.435 -5.533 -6.204 1.00 0.00 C ATOM 0 H ALA A 51 1.201 -5.045 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 51 2.711 -3.965 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.340 -5.769 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.672 -4.823 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.032 -6.446 -5.765 1.00 0.00 H new ATOM 807 N ARG A 52 1.268 -6.735 -8.484 1.00 0.00 N ATOM 808 CA ARG A 52 0.912 -7.471 -9.734 1.00 0.00 C ATOM 809 C ARG A 52 0.272 -6.603 -10.885 1.00 0.00 C ATOM 810 O ARG A 52 0.627 -6.804 -12.046 1.00 0.00 O ATOM 811 CB ARG A 52 0.004 -8.680 -9.398 1.00 0.00 C ATOM 812 CG ARG A 52 0.640 -9.813 -8.568 1.00 0.00 C ATOM 813 CD ARG A 52 1.752 -10.583 -9.289 1.00 0.00 C ATOM 814 NE ARG A 52 2.214 -11.671 -8.395 1.00 0.00 N ATOM 815 CZ ARG A 52 3.221 -12.490 -8.642 1.00 0.00 C ATOM 816 NH1 ARG A 52 3.951 -12.459 -9.719 1.00 0.00 N ATOM 817 NH2 ARG A 52 3.492 -13.378 -7.749 1.00 0.00 N ATOM 0 H ARG A 52 0.729 -7.025 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 52 1.866 -7.803 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.868 -8.311 -8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.357 -9.105 -10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.046 -9.389 -7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.141 -10.515 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.383 -10.994 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.578 -9.916 -9.535 1.00 0.00 H new ATOM 0 HE ARG A 52 1.713 -11.798 -7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.761 -11.767 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.713 -13.126 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.938 -13.427 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.261 -14.032 -7.897 1.00 0.00 H new ATOM 830 N LYS A 53 -0.603 -5.630 -10.575 1.00 0.00 N ATOM 831 CA LYS A 53 -0.879 -4.491 -11.508 1.00 0.00 C ATOM 832 C LYS A 53 0.327 -3.490 -11.754 1.00 0.00 C ATOM 833 O LYS A 53 0.437 -2.918 -12.842 1.00 0.00 O ATOM 834 CB LYS A 53 -2.129 -3.754 -10.946 1.00 0.00 C ATOM 835 CG LYS A 53 -2.697 -2.671 -11.883 1.00 0.00 C ATOM 836 CD LYS A 53 -3.915 -1.953 -11.275 1.00 0.00 C ATOM 837 CE LYS A 53 -4.326 -0.766 -12.153 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.464 -0.054 -11.549 1.00 0.00 N ATOM 0 H LYS A 53 -1.131 -5.596 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.048 -4.904 -12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.909 -4.488 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.868 -3.294 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.919 -1.940 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.983 -3.127 -12.831 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.747 -2.650 -11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.676 -1.605 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.484 -0.084 -12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.595 -1.118 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.440 0.945 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.354 -0.486 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.403 -0.118 -10.513 1.00 0.00 H new ATOM 851 N GLY A 54 1.161 -3.258 -10.736 1.00 0.00 N ATOM 852 CA GLY A 54 2.270 -2.282 -10.778 1.00 0.00 C ATOM 853 C GLY A 54 1.900 -0.848 -10.370 1.00 0.00 C ATOM 854 O GLY A 54 2.066 0.084 -11.154 1.00 0.00 O ATOM 0 H GLY A 54 1.089 -3.747 -9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.067 -2.634 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.675 -2.261 -11.790 1.00 0.00 H new ATOM 858 N VAL A 55 1.431 -0.689 -9.133 1.00 0.00 N ATOM 859 CA VAL A 55 1.071 0.643 -8.557 1.00 0.00 C ATOM 860 C VAL A 55 1.890 0.985 -7.253 1.00 0.00 C ATOM 861 O VAL A 55 2.319 2.129 -7.086 1.00 0.00 O ATOM 862 CB VAL A 55 -0.463 0.873 -8.415 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.246 0.632 -9.727 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.174 0.088 -7.314 1.00 0.00 C ATOM 0 H VAL A 55 1.284 -1.466 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 55 1.384 1.377 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.480 1.926 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.308 0.810 -9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.884 1.313 -10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.099 -0.397 -10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.236 0.335 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.050 -0.980 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.745 0.348 -6.346 1.00 0.00 H new ATOM 874 N ILE A 56 2.139 0.002 -6.368 1.00 0.00 N ATOM 875 CA ILE A 56 3.330 0.019 -5.462 1.00 0.00 C ATOM 876 C ILE A 56 4.310 -1.165 -5.814 1.00 0.00 C ATOM 877 O ILE A 56 3.923 -2.136 -6.467 1.00 0.00 O ATOM 878 CB ILE A 56 2.977 0.061 -3.938 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.164 -1.106 -3.338 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.262 1.382 -3.568 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.939 -2.406 -3.140 1.00 0.00 C ATOM 0 H ILE A 56 1.541 -0.816 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 56 3.843 0.963 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 56 3.966 -0.031 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.763 -0.791 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.312 -1.305 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.029 1.384 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.913 2.225 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.339 1.469 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.279 -3.162 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.317 -2.754 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.775 -2.232 -2.463 1.00 0.00 H new ATOM 893 N GLU A 57 5.565 -1.103 -5.354 1.00 0.00 N ATOM 894 CA GLU A 57 6.515 -2.250 -5.438 1.00 0.00 C ATOM 895 C GLU A 57 7.161 -2.546 -4.048 1.00 0.00 C ATOM 896 O GLU A 57 7.633 -1.636 -3.359 1.00 0.00 O ATOM 897 CB GLU A 57 7.548 -1.931 -6.548 1.00 0.00 C ATOM 898 CG GLU A 57 8.508 -3.080 -6.919 1.00 0.00 C ATOM 899 CD GLU A 57 7.836 -4.349 -7.422 1.00 0.00 C ATOM 900 OE1 GLU A 57 7.469 -5.251 -6.674 1.00 0.00 O ATOM 901 OE2 GLU A 57 7.667 -4.349 -8.775 1.00 0.00 O ATOM 0 H GLU A 57 5.961 -0.272 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 57 5.996 -3.169 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.008 -1.629 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.142 -1.074 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.196 -2.724 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.108 -3.328 -6.043 1.00 0.00 H new ATOM 909 N ILE A 58 7.183 -3.823 -3.642 1.00 0.00 N ATOM 910 CA ILE A 58 7.675 -4.229 -2.291 1.00 0.00 C ATOM 911 C ILE A 58 9.213 -4.544 -2.355 1.00 0.00 C ATOM 912 O ILE A 58 9.640 -5.527 -2.969 1.00 0.00 O ATOM 913 CB ILE A 58 6.869 -5.460 -1.708 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.334 -5.210 -1.647 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.359 -5.807 -0.271 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.506 -6.476 -1.408 1.00 0.00 C ATOM 0 H ILE A 58 6.869 -4.602 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 58 7.509 -3.394 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 58 7.056 -6.286 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.124 -4.495 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.014 -4.750 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.792 -6.656 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.419 -6.061 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.210 -4.947 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.447 -6.218 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.684 -7.185 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.796 -6.927 -0.459 1.00 0.00 H new ATOM 928 N VAL A 59 10.017 -3.757 -1.632 1.00 0.00 N ATOM 929 CA VAL A 59 11.451 -4.087 -1.368 1.00 0.00 C ATOM 930 C VAL A 59 11.502 -5.118 -0.184 1.00 0.00 C ATOM 931 O VAL A 59 11.432 -4.750 0.993 1.00 0.00 O ATOM 932 CB VAL A 59 12.272 -2.789 -1.075 1.00 0.00 C ATOM 933 CG1 VAL A 59 13.763 -3.072 -0.770 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.261 -1.787 -2.251 1.00 0.00 C ATOM 0 H VAL A 59 9.712 -2.880 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 59 11.912 -4.540 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 59 11.772 -2.366 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.279 -2.132 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.839 -3.716 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.222 -3.567 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.848 -0.908 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.692 -2.258 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.235 -1.487 -2.464 1.00 0.00 H new ATOM 944 N SER A 60 11.598 -6.411 -0.523 1.00 0.00 N ATOM 945 CA SER A 60 11.487 -7.514 0.470 1.00 0.00 C ATOM 946 C SER A 60 12.794 -7.700 1.304 1.00 0.00 C ATOM 947 O SER A 60 13.763 -8.322 0.865 1.00 0.00 O ATOM 948 CB SER A 60 11.077 -8.798 -0.287 1.00 0.00 C ATOM 949 OG SER A 60 9.764 -8.676 -0.842 1.00 0.00 O ATOM 0 H SER A 60 11.753 -6.730 -1.479 1.00 0.00 H new ATOM 0 HA SER A 60 10.722 -7.267 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.794 -8.998 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.109 -9.650 0.392 1.00 0.00 H new ATOM 0 HG SER A 60 9.531 -9.501 -1.316 1.00 0.00 H new ATOM 955 N GLY A 61 12.807 -7.085 2.492 1.00 0.00 N ATOM 956 CA GLY A 61 14.063 -6.843 3.249 1.00 0.00 C ATOM 957 C GLY A 61 14.069 -5.534 4.066 1.00 0.00 C ATOM 958 O GLY A 61 14.349 -5.560 5.265 1.00 0.00 O ATOM 0 H GLY A 61 11.967 -6.742 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.233 -7.681 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.898 -6.824 2.549 1.00 0.00 H new ATOM 962 N ALA A 62 13.774 -4.398 3.418 1.00 0.00 N ATOM 963 CA ALA A 62 13.613 -3.100 4.114 1.00 0.00 C ATOM 964 C ALA A 62 12.263 -2.968 4.892 1.00 0.00 C ATOM 965 O ALA A 62 11.192 -3.271 4.359 1.00 0.00 O ATOM 966 CB ALA A 62 13.729 -2.023 3.021 1.00 0.00 C ATOM 0 H ALA A 62 13.640 -4.345 2.408 1.00 0.00 H new ATOM 0 HA ALA A 62 14.378 -2.997 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.619 -1.036 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.705 -2.096 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.946 -2.173 2.278 1.00 0.00 H new ATOM 972 N SER A 63 12.324 -2.488 6.146 1.00 0.00 N ATOM 973 CA SER A 63 11.116 -2.360 7.017 1.00 0.00 C ATOM 974 C SER A 63 9.985 -1.419 6.487 1.00 0.00 C ATOM 975 O SER A 63 8.858 -1.890 6.318 1.00 0.00 O ATOM 976 CB SER A 63 11.596 -1.994 8.441 1.00 0.00 C ATOM 977 OG SER A 63 10.520 -2.002 9.378 1.00 0.00 O ATOM 0 H SER A 63 13.189 -2.180 6.589 1.00 0.00 H new ATOM 0 HA SER A 63 10.609 -3.325 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.362 -2.701 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.059 -1.007 8.427 1.00 0.00 H new ATOM 0 HG SER A 63 10.859 -1.768 10.267 1.00 0.00 H new ATOM 983 N ARG A 64 10.287 -0.151 6.161 1.00 0.00 N ATOM 984 CA ARG A 64 9.401 0.678 5.298 1.00 0.00 C ATOM 985 C ARG A 64 9.841 0.597 3.786 1.00 0.00 C ATOM 986 O ARG A 64 10.363 1.556 3.209 1.00 0.00 O ATOM 987 CB ARG A 64 9.361 2.136 5.813 1.00 0.00 C ATOM 988 CG ARG A 64 8.630 2.351 7.155 1.00 0.00 C ATOM 989 CD ARG A 64 8.417 3.852 7.412 1.00 0.00 C ATOM 990 NE ARG A 64 7.823 4.050 8.752 1.00 0.00 N ATOM 991 CZ ARG A 64 7.303 5.182 9.199 1.00 0.00 C ATOM 992 NH1 ARG A 64 7.163 6.259 8.487 1.00 0.00 N ATOM 993 NH2 ARG A 64 6.897 5.206 10.422 1.00 0.00 N ATOM 0 H ARG A 64 11.131 0.328 6.475 1.00 0.00 H new ATOM 0 HA ARG A 64 8.388 0.279 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.385 2.494 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.882 2.757 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.669 1.838 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.211 1.915 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.368 4.381 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.763 4.272 6.648 1.00 0.00 H new ATOM 0 HE ARG A 64 7.813 3.249 9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.464 6.269 7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.752 7.095 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.983 4.373 11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.490 6.058 10.808 1.00 0.00 H new ATOM 1006 N GLY A 65 9.601 -0.561 3.157 1.00 0.00 N ATOM 1007 CA GLY A 65 9.971 -0.798 1.739 1.00 0.00 C ATOM 1008 C GLY A 65 8.792 -0.918 0.763 1.00 0.00 C ATOM 1009 O GLY A 65 8.622 -1.971 0.152 1.00 0.00 O ATOM 0 H GLY A 65 9.149 -1.359 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.614 0.018 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.562 -1.712 1.683 1.00 0.00 H new ATOM 1013 N ILE A 66 8.011 0.152 0.601 1.00 0.00 N ATOM 1014 CA ILE A 66 6.805 0.155 -0.285 1.00 0.00 C ATOM 1015 C ILE A 66 6.972 1.371 -1.270 1.00 0.00 C ATOM 1016 O ILE A 66 6.692 2.516 -0.913 1.00 0.00 O ATOM 1017 CB ILE A 66 5.479 0.234 0.551 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.314 -0.815 1.686 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.218 0.196 -0.343 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.308 -2.289 1.289 1.00 0.00 C ATOM 0 H ILE A 66 8.179 1.043 1.068 1.00 0.00 H new ATOM 0 HA ILE A 66 6.729 -0.774 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 66 5.578 1.202 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.120 -0.663 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.380 -0.603 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.327 0.253 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.234 1.042 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.203 -0.734 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.186 -2.905 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.483 -2.477 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.251 -2.538 0.802 1.00 0.00 H new ATOM 1032 N ARG A 67 7.457 1.129 -2.492 1.00 0.00 N ATOM 1033 CA ARG A 67 7.818 2.221 -3.442 1.00 0.00 C ATOM 1034 C ARG A 67 6.639 2.574 -4.405 1.00 0.00 C ATOM 1035 O ARG A 67 6.155 1.713 -5.141 1.00 0.00 O ATOM 1036 CB ARG A 67 9.074 1.797 -4.251 1.00 0.00 C ATOM 1037 CG ARG A 67 10.374 1.789 -3.421 1.00 0.00 C ATOM 1038 CD ARG A 67 11.605 1.497 -4.289 1.00 0.00 C ATOM 1039 NE ARG A 67 12.833 1.538 -3.460 1.00 0.00 N ATOM 1040 CZ ARG A 67 13.577 2.604 -3.214 1.00 0.00 C ATOM 1041 NH1 ARG A 67 13.322 3.800 -3.658 1.00 0.00 N ATOM 1042 NH2 ARG A 67 14.622 2.437 -2.480 1.00 0.00 N ATOM 0 H ARG A 67 7.614 0.191 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 67 8.035 3.120 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.911 0.801 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.197 2.475 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.497 2.754 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.298 1.038 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.505 0.518 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.675 2.230 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 67 13.134 0.659 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.500 3.964 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.944 4.574 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.846 1.511 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.225 3.230 -2.264 1.00 0.00 H new ATOM 1055 N LEU A 68 6.193 3.834 -4.406 1.00 0.00 N ATOM 1056 CA LEU A 68 4.999 4.269 -5.188 1.00 0.00 C ATOM 1057 C LEU A 68 5.311 4.609 -6.681 1.00 0.00 C ATOM 1058 O LEU A 68 6.130 5.484 -6.971 1.00 0.00 O ATOM 1059 CB LEU A 68 4.409 5.482 -4.414 1.00 0.00 C ATOM 1060 CG LEU A 68 3.019 5.979 -4.871 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.919 4.948 -4.605 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.671 7.278 -4.121 1.00 0.00 C ATOM 0 H LEU A 68 6.634 4.585 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 68 4.281 3.452 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.347 5.216 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.111 6.312 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 68 3.070 6.149 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.961 5.343 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.144 4.029 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.868 4.738 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.691 7.631 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.655 7.086 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.421 8.038 -4.342 1.00 0.00 H new ATOM 1074 N LEU A 69 4.615 3.939 -7.608 1.00 0.00 N ATOM 1075 CA LEU A 69 4.679 4.235 -9.070 1.00 0.00 C ATOM 1076 C LEU A 69 3.331 4.614 -9.806 1.00 0.00 C ATOM 1077 O LEU A 69 3.365 4.970 -10.985 1.00 0.00 O ATOM 1078 CB LEU A 69 5.475 3.142 -9.830 1.00 0.00 C ATOM 1079 CG LEU A 69 4.899 1.710 -9.859 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.266 1.016 -11.181 1.00 0.00 C ATOM 1081 CD2 LEU A 69 5.430 0.860 -8.701 1.00 0.00 C ATOM 0 H LEU A 69 3.985 3.171 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 69 5.222 5.179 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.595 3.474 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.472 3.091 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 69 3.817 1.799 -9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.854 0.007 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.854 1.583 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.351 0.966 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.001 -0.140 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.516 0.793 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.152 1.321 -7.754 1.00 0.00 H new ATOM 1093 N GLN A 70 2.189 4.584 -9.110 1.00 0.00 N ATOM 1094 CA GLN A 70 0.875 5.074 -9.605 1.00 0.00 C ATOM 1095 C GLN A 70 0.104 4.182 -10.628 1.00 0.00 C ATOM 1096 O GLN A 70 -1.008 3.743 -10.328 1.00 0.00 O ATOM 1097 CB GLN A 70 0.819 6.585 -9.960 1.00 0.00 C ATOM 1098 CG GLN A 70 1.085 7.564 -8.796 1.00 0.00 C ATOM 1099 CD GLN A 70 0.054 7.567 -7.680 1.00 0.00 C ATOM 1100 OE1 GLN A 70 0.160 6.833 -6.707 1.00 0.00 O ATOM 1101 NE2 GLN A 70 -0.973 8.372 -7.764 1.00 0.00 N ATOM 0 H GLN A 70 2.140 4.211 -8.162 1.00 0.00 H new ATOM 0 HA GLN A 70 0.290 4.955 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.548 6.780 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.165 6.804 -10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.058 7.329 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.153 8.573 -9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.073 8.989 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.674 8.383 -7.023 1.00 0.00 H new ATOM 1110 N GLU A 71 0.666 3.972 -11.818 1.00 0.00 N ATOM 1111 CA GLU A 71 0.049 3.128 -12.874 1.00 0.00 C ATOM 1112 C GLU A 71 1.097 2.349 -13.742 1.00 0.00 C ATOM 1113 O GLU A 71 2.167 2.860 -14.079 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.899 3.971 -13.784 1.00 0.00 C ATOM 1115 CG GLU A 71 -2.379 3.990 -13.335 1.00 0.00 C ATOM 1116 CD GLU A 71 -3.080 2.636 -13.314 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -2.630 1.618 -13.834 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -4.257 2.675 -12.630 1.00 0.00 O ATOM 0 H GLU A 71 1.562 4.377 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.538 2.375 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.531 4.996 -13.818 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.847 3.580 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.431 4.421 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.932 4.655 -13.998 1.00 0.00 H new ATOM 1126 N GLU A 72 0.728 1.119 -14.137 1.00 0.00 N ATOM 1127 CA GLU A 72 1.542 0.283 -15.060 1.00 0.00 C ATOM 1128 C GLU A 72 0.588 -0.583 -15.932 1.00 0.00 C ATOM 1129 O GLU A 72 0.338 -0.304 -17.101 1.00 0.00 O ATOM 1130 CB GLU A 72 2.567 -0.519 -14.237 1.00 0.00 C ATOM 1131 CG GLU A 72 3.560 -1.370 -15.047 1.00 0.00 C ATOM 1132 CD GLU A 72 4.379 -2.298 -14.161 1.00 0.00 C ATOM 1133 OE1 GLU A 72 5.450 -1.994 -13.646 1.00 0.00 O ATOM 1134 OE2 GLU A 72 3.776 -3.506 -13.988 1.00 0.00 O ATOM 0 H GLU A 72 -0.136 0.671 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 72 2.122 0.888 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.134 0.178 -13.620 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.024 -1.177 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.014 -1.961 -15.782 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.231 -0.713 -15.601 1.00 0.00 H new TER 1142 GLU A 72