USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 3 HIS : no HE2:sc= 0.0609 K(o=1.1,f=-11!) USER MOD Set 1.2: A 81 THR OG1 : rot 40:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.205 (180deg=-1.5!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.476 (180deg=-0.476) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 9 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.079) USER MOD Single : A 33 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.235 USER MOD Single : A 65 HIS : no HE2:sc= -4.4! C(o=-4.4!,f=-9.2!) USER MOD Single : A 68 SER OG : rot -71:sc= 0.335 USER MOD Single : A 71 SER OG : rot 180:sc= -0.547 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.042 12.635 -0.097 1.00 0.00 N ATOM 2 CA MET A 1 0.456 11.743 1.023 1.00 0.00 C ATOM 3 C MET A 1 -0.586 11.807 2.138 1.00 0.00 C ATOM 4 O MET A 1 -0.278 11.645 3.302 1.00 0.00 O ATOM 5 CB MET A 1 1.811 12.199 1.563 1.00 0.00 C ATOM 6 CG MET A 1 2.874 12.008 0.482 1.00 0.00 C ATOM 7 SD MET A 1 4.514 12.311 1.185 1.00 0.00 S ATOM 8 CE MET A 1 4.224 14.019 1.709 1.00 0.00 C ATOM 0 H1 MET A 1 0.752 12.591 -0.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.879 12.324 -0.466 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.036 13.613 0.248 1.00 0.00 H new ATOM 0 HA MET A 1 0.536 10.718 0.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.763 13.246 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.073 11.626 2.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.821 10.996 0.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.691 12.691 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.170 14.560 1.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.541 14.503 1.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.787 14.024 2.707 1.00 0.00 H new ATOM 20 N GLN A 2 -1.820 12.046 1.791 1.00 0.00 N ATOM 21 CA GLN A 2 -2.884 12.124 2.831 1.00 0.00 C ATOM 22 C GLN A 2 -2.962 10.795 3.586 1.00 0.00 C ATOM 23 O GLN A 2 -3.166 10.763 4.783 1.00 0.00 O ATOM 24 CB GLN A 2 -4.231 12.403 2.160 1.00 0.00 C ATOM 25 CG GLN A 2 -4.188 13.767 1.473 1.00 0.00 C ATOM 26 CD GLN A 2 -5.524 14.031 0.776 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.305 13.122 0.570 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.822 15.245 0.399 1.00 0.00 N ATOM 0 H GLN A 2 -2.138 12.191 0.833 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.648 12.926 3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.454 11.624 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.029 12.383 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.988 14.549 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.375 13.795 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.167 16.008 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.710 15.431 -0.068 1.00 0.00 H new ATOM 37 N HIS A 3 -2.803 9.699 2.891 1.00 0.00 N ATOM 38 CA HIS A 3 -2.870 8.368 3.561 1.00 0.00 C ATOM 39 C HIS A 3 -1.606 7.569 3.235 1.00 0.00 C ATOM 40 O HIS A 3 -1.526 6.384 3.491 1.00 0.00 O ATOM 41 CB HIS A 3 -4.097 7.607 3.056 1.00 0.00 C ATOM 42 CG HIS A 3 -5.304 8.502 3.126 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.760 9.039 4.322 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.161 8.964 2.157 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.845 9.786 4.044 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.129 9.772 2.741 1.00 0.00 N ATOM 0 H HIS A 3 -2.629 9.669 1.886 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.945 8.506 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.936 7.275 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.258 6.713 3.659 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.348 8.894 5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.093 8.735 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.414 10.329 4.784 1.00 0.00 H new ATOM 55 N ALA A 4 -0.620 8.204 2.663 1.00 0.00 N ATOM 56 CA ALA A 4 0.631 7.474 2.313 1.00 0.00 C ATOM 57 C ALA A 4 1.253 6.875 3.575 1.00 0.00 C ATOM 58 O ALA A 4 1.807 5.794 3.548 1.00 0.00 O ATOM 59 CB ALA A 4 1.623 8.445 1.668 1.00 0.00 C ATOM 0 H ALA A 4 -0.626 9.195 2.423 1.00 0.00 H new ATOM 0 HA ALA A 4 0.395 6.672 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.539 7.912 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.183 8.867 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.854 9.248 2.368 1.00 0.00 H new ATOM 65 N SER A 5 1.172 7.563 4.680 1.00 0.00 N ATOM 66 CA SER A 5 1.765 7.018 5.934 1.00 0.00 C ATOM 67 C SER A 5 1.063 5.710 6.302 1.00 0.00 C ATOM 68 O SER A 5 1.668 4.792 6.816 1.00 0.00 O ATOM 69 CB SER A 5 1.589 8.030 7.067 1.00 0.00 C ATOM 70 OG SER A 5 0.209 8.137 7.388 1.00 0.00 O ATOM 0 H SER A 5 0.723 8.475 4.769 1.00 0.00 H new ATOM 0 HA SER A 5 2.828 6.830 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.155 7.715 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.981 9.002 6.767 1.00 0.00 H new ATOM 0 HG SER A 5 0.091 8.783 8.115 1.00 0.00 H new ATOM 76 N VAL A 6 -0.210 5.618 6.034 1.00 0.00 N ATOM 77 CA VAL A 6 -0.951 4.368 6.359 1.00 0.00 C ATOM 78 C VAL A 6 -0.425 3.229 5.487 1.00 0.00 C ATOM 79 O VAL A 6 -0.338 2.093 5.907 1.00 0.00 O ATOM 80 CB VAL A 6 -2.441 4.571 6.088 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.177 3.240 6.248 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.005 5.589 7.082 1.00 0.00 C ATOM 0 H VAL A 6 -0.769 6.355 5.604 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.806 4.121 7.411 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.578 4.940 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.240 3.386 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.776 2.515 5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.041 2.869 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.068 5.735 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.867 5.220 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.482 6.538 6.967 1.00 0.00 H new ATOM 92 N ILE A 7 -0.089 3.525 4.265 1.00 0.00 N ATOM 93 CA ILE A 7 0.423 2.466 3.355 1.00 0.00 C ATOM 94 C ILE A 7 1.762 1.925 3.868 1.00 0.00 C ATOM 95 O ILE A 7 2.016 0.737 3.830 1.00 0.00 O ATOM 96 CB ILE A 7 0.615 3.055 1.958 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.725 3.589 1.446 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.129 1.967 1.012 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.514 4.331 0.126 1.00 0.00 C ATOM 0 H ILE A 7 -0.147 4.457 3.856 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.297 1.648 3.319 1.00 0.00 H new ATOM 0 HB ILE A 7 1.339 3.869 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.425 2.766 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.166 4.259 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.266 2.386 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.082 1.586 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.406 1.153 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.470 4.710 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.171 5.165 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.092 3.648 -0.612 1.00 0.00 H new ATOM 111 N ALA A 8 2.631 2.785 4.328 1.00 0.00 N ATOM 112 CA ALA A 8 3.959 2.308 4.819 1.00 0.00 C ATOM 113 C ALA A 8 3.786 1.406 6.039 1.00 0.00 C ATOM 114 O ALA A 8 4.318 0.314 6.092 1.00 0.00 O ATOM 115 CB ALA A 8 4.824 3.510 5.203 1.00 0.00 C ATOM 0 H ALA A 8 2.481 3.792 4.385 1.00 0.00 H new ATOM 0 HA ALA A 8 4.441 1.740 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.793 3.162 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.968 4.148 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.329 4.078 5.991 1.00 0.00 H new ATOM 121 N GLN A 9 3.051 1.843 7.022 1.00 0.00 N ATOM 122 CA GLN A 9 2.862 0.988 8.228 1.00 0.00 C ATOM 123 C GLN A 9 1.988 -0.210 7.871 1.00 0.00 C ATOM 124 O GLN A 9 2.264 -1.328 8.250 1.00 0.00 O ATOM 125 CB GLN A 9 2.209 1.795 9.356 1.00 0.00 C ATOM 126 CG GLN A 9 1.093 2.671 8.793 1.00 0.00 C ATOM 127 CD GLN A 9 -0.171 2.488 9.635 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.775 3.453 10.062 1.00 0.00 O ATOM 129 NE2 GLN A 9 -0.598 1.283 9.894 1.00 0.00 N ATOM 0 H GLN A 9 2.577 2.746 7.045 1.00 0.00 H new ATOM 0 HA GLN A 9 3.835 0.637 8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.807 1.120 10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.956 2.416 9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.399 3.717 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.894 2.403 7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.091 0.474 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.439 1.150 10.455 1.00 0.00 H new ATOM 138 N PHE A 10 0.939 0.007 7.135 1.00 0.00 N ATOM 139 CA PHE A 10 0.055 -1.128 6.757 1.00 0.00 C ATOM 140 C PHE A 10 0.870 -2.167 5.986 1.00 0.00 C ATOM 141 O PHE A 10 0.754 -3.355 6.208 1.00 0.00 O ATOM 142 CB PHE A 10 -1.081 -0.608 5.874 1.00 0.00 C ATOM 143 CG PHE A 10 -2.061 -1.722 5.591 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.947 -2.473 4.416 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.086 -2.000 6.504 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.860 -3.502 4.151 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.997 -3.030 6.240 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.885 -3.780 5.064 1.00 0.00 C ATOM 0 H PHE A 10 0.654 0.919 6.778 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.362 -1.587 7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.590 0.219 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.678 -0.220 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.155 -2.259 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.174 -1.420 7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.773 -4.081 3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.787 -3.246 6.944 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.589 -4.573 4.860 1.00 0.00 H new ATOM 158 N VAL A 11 1.692 -1.724 5.077 1.00 0.00 N ATOM 159 CA VAL A 11 2.514 -2.678 4.281 1.00 0.00 C ATOM 160 C VAL A 11 3.621 -3.287 5.151 1.00 0.00 C ATOM 161 O VAL A 11 3.804 -4.486 5.184 1.00 0.00 O ATOM 162 CB VAL A 11 3.143 -1.926 3.111 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.005 -2.883 2.292 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.034 -1.352 2.229 1.00 0.00 C ATOM 0 H VAL A 11 1.831 -0.739 4.850 1.00 0.00 H new ATOM 0 HA VAL A 11 1.877 -3.483 3.915 1.00 0.00 H new ATOM 0 HB VAL A 11 3.767 -1.116 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.453 -2.345 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.793 -3.294 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.385 -3.694 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.477 -0.814 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.413 -2.164 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.420 -0.669 2.815 1.00 0.00 H new ATOM 174 N VAL A 12 4.362 -2.469 5.851 1.00 0.00 N ATOM 175 CA VAL A 12 5.463 -2.996 6.714 1.00 0.00 C ATOM 176 C VAL A 12 4.885 -3.870 7.824 1.00 0.00 C ATOM 177 O VAL A 12 5.462 -4.869 8.206 1.00 0.00 O ATOM 178 CB VAL A 12 6.224 -1.826 7.329 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.202 -2.346 8.383 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.001 -1.092 6.232 1.00 0.00 C ATOM 0 H VAL A 12 4.253 -1.455 5.863 1.00 0.00 H new ATOM 0 HA VAL A 12 6.140 -3.597 6.107 1.00 0.00 H new ATOM 0 HB VAL A 12 5.517 -1.141 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.744 -1.508 8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.651 -2.869 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.909 -3.032 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.546 -0.255 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.706 -1.779 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.305 -0.719 5.481 1.00 0.00 H new ATOM 190 N GLU A 13 3.751 -3.504 8.347 1.00 0.00 N ATOM 191 CA GLU A 13 3.138 -4.315 9.431 1.00 0.00 C ATOM 192 C GLU A 13 2.837 -5.719 8.916 1.00 0.00 C ATOM 193 O GLU A 13 2.875 -6.683 9.652 1.00 0.00 O ATOM 194 CB GLU A 13 1.848 -3.648 9.899 1.00 0.00 C ATOM 195 CG GLU A 13 2.180 -2.510 10.865 1.00 0.00 C ATOM 196 CD GLU A 13 0.888 -1.823 11.311 1.00 0.00 C ATOM 197 OE1 GLU A 13 -0.150 -2.136 10.751 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.958 -0.996 12.205 1.00 0.00 O ATOM 0 H GLU A 13 3.222 -2.677 8.070 1.00 0.00 H new ATOM 0 HA GLU A 13 3.832 -4.384 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.295 -3.262 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.206 -4.379 10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.715 -2.899 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.839 -1.789 10.381 1.00 0.00 H new ATOM 205 N GLU A 14 2.542 -5.846 7.656 1.00 0.00 N ATOM 206 CA GLU A 14 2.244 -7.192 7.102 1.00 0.00 C ATOM 207 C GLU A 14 3.505 -8.057 7.170 1.00 0.00 C ATOM 208 O GLU A 14 3.435 -9.262 7.310 1.00 0.00 O ATOM 209 CB GLU A 14 1.795 -7.057 5.647 1.00 0.00 C ATOM 210 CG GLU A 14 1.356 -8.423 5.118 1.00 0.00 C ATOM 211 CD GLU A 14 1.002 -8.308 3.634 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.133 -7.220 3.097 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.607 -9.310 3.061 1.00 0.00 O ATOM 0 H GLU A 14 2.494 -5.078 6.987 1.00 0.00 H new ATOM 0 HA GLU A 14 1.449 -7.659 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.972 -6.346 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.610 -6.665 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.155 -9.152 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.495 -8.783 5.681 1.00 0.00 H new ATOM 220 N PHE A 15 4.658 -7.454 7.058 1.00 0.00 N ATOM 221 CA PHE A 15 5.920 -8.248 7.101 1.00 0.00 C ATOM 222 C PHE A 15 6.597 -8.108 8.468 1.00 0.00 C ATOM 223 O PHE A 15 6.849 -9.086 9.144 1.00 0.00 O ATOM 224 CB PHE A 15 6.876 -7.741 6.023 1.00 0.00 C ATOM 225 CG PHE A 15 6.159 -7.706 4.699 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.011 -8.874 3.943 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.635 -6.498 4.232 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.336 -8.832 2.716 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.963 -6.453 3.009 1.00 0.00 C ATOM 230 CZ PHE A 15 4.811 -7.620 2.250 1.00 0.00 C ATOM 0 H PHE A 15 4.781 -6.448 6.939 1.00 0.00 H new ATOM 0 HA PHE A 15 5.677 -9.296 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.238 -6.745 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.749 -8.391 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.417 -9.807 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.750 -5.598 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.221 -9.732 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.560 -5.518 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.289 -7.585 1.305 1.00 0.00 H new ATOM 240 N LEU A 16 6.929 -6.903 8.863 1.00 0.00 N ATOM 241 CA LEU A 16 7.631 -6.715 10.170 1.00 0.00 C ATOM 242 C LEU A 16 6.961 -5.613 11.012 1.00 0.00 C ATOM 243 O LEU A 16 7.344 -4.461 10.958 1.00 0.00 O ATOM 244 CB LEU A 16 9.085 -6.328 9.881 1.00 0.00 C ATOM 245 CG LEU A 16 10.023 -7.211 10.707 1.00 0.00 C ATOM 246 CD1 LEU A 16 9.641 -7.120 12.185 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.902 -8.662 10.237 1.00 0.00 C ATOM 0 H LEU A 16 6.745 -6.047 8.340 1.00 0.00 H new ATOM 0 HA LEU A 16 7.582 -7.644 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.299 -6.446 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.248 -5.278 10.125 1.00 0.00 H new ATOM 0 HG LEU A 16 11.050 -6.871 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.309 -7.749 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.727 -6.086 12.520 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.614 -7.460 12.317 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.570 -9.292 10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.875 -9.002 10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.175 -8.727 9.184 1.00 0.00 H new ATOM 259 N PRO A 17 5.986 -5.969 11.808 1.00 0.00 N ATOM 260 CA PRO A 17 5.285 -5.010 12.696 1.00 0.00 C ATOM 261 C PRO A 17 6.009 -4.842 14.037 1.00 0.00 C ATOM 262 O PRO A 17 5.729 -3.934 14.795 1.00 0.00 O ATOM 263 CB PRO A 17 3.910 -5.642 12.914 1.00 0.00 C ATOM 264 CG PRO A 17 4.035 -7.087 12.535 1.00 0.00 C ATOM 265 CD PRO A 17 5.434 -7.316 11.946 1.00 0.00 C ATOM 0 HA PRO A 17 5.237 -4.013 12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.598 -5.540 13.953 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.155 -5.146 12.304 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.883 -7.722 13.408 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.269 -7.356 11.808 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.047 -7.933 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.383 -7.827 10.984 1.00 0.00 H new ATOM 273 N ASP A 18 6.937 -5.715 14.339 1.00 0.00 N ATOM 274 CA ASP A 18 7.672 -5.608 15.628 1.00 0.00 C ATOM 275 C ASP A 18 8.702 -4.484 15.524 1.00 0.00 C ATOM 276 O ASP A 18 9.365 -4.138 16.482 1.00 0.00 O ATOM 277 CB ASP A 18 8.383 -6.927 15.915 1.00 0.00 C ATOM 278 CG ASP A 18 7.347 -8.018 16.189 1.00 0.00 C ATOM 279 OD1 ASP A 18 7.729 -9.177 16.214 1.00 0.00 O ATOM 280 OD2 ASP A 18 6.190 -7.677 16.369 1.00 0.00 O ATOM 0 H ASP A 18 7.215 -6.497 13.745 1.00 0.00 H new ATOM 0 HA ASP A 18 6.973 -5.391 16.436 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.006 -7.208 15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.045 -6.816 16.774 1.00 0.00 H new ATOM 285 N VAL A 19 8.821 -3.902 14.365 1.00 0.00 N ATOM 286 CA VAL A 19 9.782 -2.784 14.171 1.00 0.00 C ATOM 287 C VAL A 19 8.978 -1.516 13.901 1.00 0.00 C ATOM 288 O VAL A 19 7.957 -1.556 13.245 1.00 0.00 O ATOM 289 CB VAL A 19 10.688 -3.085 12.976 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.741 -1.983 12.844 1.00 0.00 C ATOM 291 CG2 VAL A 19 11.384 -4.431 13.190 1.00 0.00 C ATOM 0 H VAL A 19 8.287 -4.157 13.534 1.00 0.00 H new ATOM 0 HA VAL A 19 10.404 -2.658 15.057 1.00 0.00 H new ATOM 0 HB VAL A 19 10.088 -3.126 12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.387 -2.197 11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.247 -1.024 12.692 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.341 -1.942 13.753 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.030 -4.646 12.339 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.984 -4.390 14.099 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.635 -5.217 13.285 1.00 0.00 H new ATOM 301 N ALA A 20 9.404 -0.391 14.403 1.00 0.00 N ATOM 302 CA ALA A 20 8.618 0.845 14.160 1.00 0.00 C ATOM 303 C ALA A 20 8.565 1.104 12.646 1.00 0.00 C ATOM 304 O ALA A 20 9.582 1.351 12.028 1.00 0.00 O ATOM 305 CB ALA A 20 9.307 2.026 14.849 1.00 0.00 C ATOM 0 H ALA A 20 10.249 -0.276 14.962 1.00 0.00 H new ATOM 0 HA ALA A 20 7.609 0.730 14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.733 2.936 14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.368 1.837 15.921 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.312 2.147 14.445 1.00 0.00 H new ATOM 311 N PRO A 21 7.396 1.054 12.040 1.00 0.00 N ATOM 312 CA PRO A 21 7.267 1.295 10.579 1.00 0.00 C ATOM 313 C PRO A 21 7.655 2.727 10.206 1.00 0.00 C ATOM 314 O PRO A 21 8.070 3.003 9.098 1.00 0.00 O ATOM 315 CB PRO A 21 5.799 1.008 10.249 1.00 0.00 C ATOM 316 CG PRO A 21 5.074 0.804 11.542 1.00 0.00 C ATOM 317 CD PRO A 21 6.098 0.774 12.676 1.00 0.00 C ATOM 0 HA PRO A 21 7.941 0.656 10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.363 1.838 9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.715 0.122 9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.355 1.607 11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.510 -0.129 11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.864 1.520 13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.105 -0.196 13.173 1.00 0.00 H new ATOM 325 N ALA A 22 7.538 3.637 11.133 1.00 0.00 N ATOM 326 CA ALA A 22 7.912 5.051 10.852 1.00 0.00 C ATOM 327 C ALA A 22 9.437 5.163 10.780 1.00 0.00 C ATOM 328 O ALA A 22 9.979 6.148 10.320 1.00 0.00 O ATOM 329 CB ALA A 22 7.386 5.953 11.970 1.00 0.00 C ATOM 0 H ALA A 22 7.197 3.461 12.078 1.00 0.00 H new ATOM 0 HA ALA A 22 7.476 5.363 9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.661 6.987 11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.301 5.870 12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.822 5.646 12.921 1.00 0.00 H new ATOM 335 N ASP A 23 10.132 4.157 11.240 1.00 0.00 N ATOM 336 CA ASP A 23 11.620 4.196 11.209 1.00 0.00 C ATOM 337 C ASP A 23 12.102 3.776 9.823 1.00 0.00 C ATOM 338 O ASP A 23 13.286 3.683 9.566 1.00 0.00 O ATOM 339 CB ASP A 23 12.180 3.236 12.260 1.00 0.00 C ATOM 340 CG ASP A 23 11.830 3.747 13.658 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.396 4.881 13.760 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.004 2.994 14.603 1.00 0.00 O ATOM 0 H ASP A 23 9.730 3.308 11.637 1.00 0.00 H new ATOM 0 HA ASP A 23 11.965 5.207 11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.767 2.238 12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.261 3.153 12.152 1.00 0.00 H new ATOM 347 N VAL A 24 11.191 3.526 8.926 1.00 0.00 N ATOM 348 CA VAL A 24 11.589 3.120 7.554 1.00 0.00 C ATOM 349 C VAL A 24 11.509 4.340 6.640 1.00 0.00 C ATOM 350 O VAL A 24 10.568 5.107 6.697 1.00 0.00 O ATOM 351 CB VAL A 24 10.641 2.032 7.046 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.102 1.555 5.667 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.650 0.853 8.021 1.00 0.00 C ATOM 0 H VAL A 24 10.185 3.586 9.086 1.00 0.00 H new ATOM 0 HA VAL A 24 12.606 2.729 7.562 1.00 0.00 H new ATOM 0 HB VAL A 24 9.631 2.436 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.426 0.780 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.097 2.394 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.112 1.151 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.975 0.077 7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.660 0.450 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.322 1.191 9.004 1.00 0.00 H new ATOM 363 N ASP A 25 12.489 4.536 5.805 1.00 0.00 N ATOM 364 CA ASP A 25 12.463 5.718 4.902 1.00 0.00 C ATOM 365 C ASP A 25 11.335 5.556 3.883 1.00 0.00 C ATOM 366 O ASP A 25 11.541 5.070 2.789 1.00 0.00 O ATOM 367 CB ASP A 25 13.801 5.831 4.169 1.00 0.00 C ATOM 368 CG ASP A 25 14.908 6.154 5.174 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.581 6.507 6.294 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.066 6.041 4.805 1.00 0.00 O ATOM 0 H ASP A 25 13.305 3.931 5.709 1.00 0.00 H new ATOM 0 HA ASP A 25 12.295 6.620 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.025 4.897 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.747 6.610 3.409 1.00 0.00 H new ATOM 375 N VAL A 26 10.145 5.964 4.232 1.00 0.00 N ATOM 376 CA VAL A 26 9.009 5.833 3.274 1.00 0.00 C ATOM 377 C VAL A 26 9.286 6.696 2.041 1.00 0.00 C ATOM 378 O VAL A 26 8.456 6.824 1.162 1.00 0.00 O ATOM 379 CB VAL A 26 7.719 6.304 3.947 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.504 5.523 5.244 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.825 7.798 4.264 1.00 0.00 C ATOM 0 H VAL A 26 9.911 6.380 5.133 1.00 0.00 H new ATOM 0 HA VAL A 26 8.901 4.791 2.974 1.00 0.00 H new ATOM 0 HB VAL A 26 6.877 6.133 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.584 5.859 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.428 4.459 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.346 5.693 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.906 8.134 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.668 7.969 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.977 8.356 3.340 1.00 0.00 H new ATOM 391 N ASP A 27 10.452 7.277 1.961 1.00 0.00 N ATOM 392 CA ASP A 27 10.790 8.117 0.778 1.00 0.00 C ATOM 393 C ASP A 27 11.534 7.254 -0.241 1.00 0.00 C ATOM 394 O ASP A 27 11.974 7.722 -1.272 1.00 0.00 O ATOM 395 CB ASP A 27 11.682 9.282 1.212 1.00 0.00 C ATOM 396 CG ASP A 27 10.888 10.223 2.121 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.677 10.081 2.174 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.504 11.069 2.747 1.00 0.00 O ATOM 0 H ASP A 27 11.186 7.206 2.665 1.00 0.00 H new ATOM 0 HA ASP A 27 9.878 8.514 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.559 8.906 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.043 9.823 0.337 1.00 0.00 H new ATOM 403 N LEU A 28 11.674 5.989 0.049 1.00 0.00 N ATOM 404 CA LEU A 28 12.385 5.072 -0.884 1.00 0.00 C ATOM 405 C LEU A 28 11.368 4.336 -1.747 1.00 0.00 C ATOM 406 O LEU A 28 10.336 3.904 -1.273 1.00 0.00 O ATOM 407 CB LEU A 28 13.200 4.061 -0.076 1.00 0.00 C ATOM 408 CG LEU A 28 14.009 3.173 -1.025 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.386 2.902 -0.418 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.280 1.842 -1.232 1.00 0.00 C ATOM 0 H LEU A 28 11.323 5.549 0.900 1.00 0.00 H new ATOM 0 HA LEU A 28 13.052 5.648 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.869 4.583 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.536 3.448 0.533 1.00 0.00 H new ATOM 0 HG LEU A 28 14.122 3.680 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.963 2.270 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.910 3.846 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.268 2.397 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.858 1.212 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.166 1.337 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.296 2.029 -1.663 1.00 0.00 H new ATOM 422 N ASP A 29 11.646 4.183 -3.012 1.00 0.00 N ATOM 423 CA ASP A 29 10.682 3.470 -3.885 1.00 0.00 C ATOM 424 C ASP A 29 10.508 2.050 -3.353 1.00 0.00 C ATOM 425 O ASP A 29 11.455 1.298 -3.237 1.00 0.00 O ATOM 426 CB ASP A 29 11.221 3.422 -5.317 1.00 0.00 C ATOM 427 CG ASP A 29 11.266 4.838 -5.893 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.673 5.720 -5.292 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.892 5.017 -6.925 1.00 0.00 O ATOM 0 H ASP A 29 12.492 4.519 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 29 9.724 3.989 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.218 2.982 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.586 2.787 -5.935 1.00 0.00 H new ATOM 434 N LEU A 30 9.307 1.680 -3.015 1.00 0.00 N ATOM 435 CA LEU A 30 9.077 0.317 -2.470 1.00 0.00 C ATOM 436 C LEU A 30 9.381 -0.730 -3.546 1.00 0.00 C ATOM 437 O LEU A 30 9.164 -1.909 -3.356 1.00 0.00 O ATOM 438 CB LEU A 30 7.619 0.192 -2.011 1.00 0.00 C ATOM 439 CG LEU A 30 6.689 0.153 -3.230 1.00 0.00 C ATOM 440 CD1 LEU A 30 6.130 -1.262 -3.415 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.529 1.127 -3.015 1.00 0.00 C ATOM 0 H LEU A 30 8.474 2.263 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 30 9.737 0.149 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.492 -0.713 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.357 1.034 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 30 7.252 0.438 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.470 -1.282 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.952 -1.961 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.569 -1.551 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.867 1.101 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.972 0.839 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.920 2.136 -2.888 1.00 0.00 H new ATOM 453 N VAL A 31 9.882 -0.310 -4.676 1.00 0.00 N ATOM 454 CA VAL A 31 10.191 -1.289 -5.755 1.00 0.00 C ATOM 455 C VAL A 31 11.028 -2.427 -5.171 1.00 0.00 C ATOM 456 O VAL A 31 10.850 -3.579 -5.514 1.00 0.00 O ATOM 457 CB VAL A 31 10.973 -0.596 -6.871 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.426 -0.404 -6.434 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.930 -1.460 -8.133 1.00 0.00 C ATOM 0 H VAL A 31 10.090 0.664 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 31 9.263 -1.688 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 31 10.526 0.376 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.983 0.090 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.457 0.210 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.875 -1.375 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.487 -0.968 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.378 -2.432 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.895 -1.597 -8.445 1.00 0.00 H new ATOM 469 N ASP A 32 11.924 -2.118 -4.276 1.00 0.00 N ATOM 470 CA ASP A 32 12.750 -3.192 -3.659 1.00 0.00 C ATOM 471 C ASP A 32 11.805 -4.200 -3.006 1.00 0.00 C ATOM 472 O ASP A 32 12.027 -5.394 -3.033 1.00 0.00 O ATOM 473 CB ASP A 32 13.673 -2.589 -2.598 1.00 0.00 C ATOM 474 CG ASP A 32 14.712 -1.693 -3.276 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.380 -0.956 -2.569 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.820 -1.757 -4.489 1.00 0.00 O ATOM 0 H ASP A 32 12.119 -1.173 -3.946 1.00 0.00 H new ATOM 0 HA ASP A 32 13.362 -3.681 -4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.091 -2.011 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.170 -3.382 -2.040 1.00 0.00 H new ATOM 481 N ASN A 33 10.740 -3.713 -2.435 1.00 0.00 N ATOM 482 CA ASN A 33 9.746 -4.611 -1.788 1.00 0.00 C ATOM 483 C ASN A 33 8.766 -5.096 -2.853 1.00 0.00 C ATOM 484 O ASN A 33 7.706 -5.610 -2.552 1.00 0.00 O ATOM 485 CB ASN A 33 8.991 -3.841 -0.707 1.00 0.00 C ATOM 486 CG ASN A 33 9.985 -3.296 0.318 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.515 -4.035 1.124 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.268 -2.024 0.315 1.00 0.00 N ATOM 0 H ASN A 33 10.514 -2.719 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 33 10.250 -5.462 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.428 -3.022 -1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.269 -4.494 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.935 -1.648 0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.823 -1.404 -0.362 1.00 0.00 H new ATOM 495 N GLY A 34 9.112 -4.919 -4.100 1.00 0.00 N ATOM 496 CA GLY A 34 8.213 -5.348 -5.206 1.00 0.00 C ATOM 497 C GLY A 34 7.617 -6.720 -4.890 1.00 0.00 C ATOM 498 O GLY A 34 6.650 -7.136 -5.491 1.00 0.00 O ATOM 0 H GLY A 34 9.988 -4.491 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.415 -4.618 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.769 -5.390 -6.143 1.00 0.00 H new ATOM 502 N VAL A 35 8.172 -7.426 -3.949 1.00 0.00 N ATOM 503 CA VAL A 35 7.607 -8.761 -3.613 1.00 0.00 C ATOM 504 C VAL A 35 6.104 -8.606 -3.374 1.00 0.00 C ATOM 505 O VAL A 35 5.317 -9.476 -3.689 1.00 0.00 O ATOM 506 CB VAL A 35 8.274 -9.298 -2.349 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.660 -8.612 -1.134 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.047 -10.808 -2.252 1.00 0.00 C ATOM 0 H VAL A 35 8.984 -7.141 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 35 7.786 -9.459 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 35 9.345 -9.097 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.131 -8.990 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.819 -7.536 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.590 -8.819 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.524 -11.190 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.977 -11.013 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.478 -11.298 -3.125 1.00 0.00 H new ATOM 518 N ILE A 36 5.706 -7.492 -2.823 1.00 0.00 N ATOM 519 CA ILE A 36 4.258 -7.251 -2.560 1.00 0.00 C ATOM 520 C ILE A 36 3.521 -7.020 -3.880 1.00 0.00 C ATOM 521 O ILE A 36 2.328 -7.199 -3.979 1.00 0.00 O ATOM 522 CB ILE A 36 4.112 -5.994 -1.706 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.760 -6.015 -1.002 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.190 -4.760 -2.608 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.453 -4.628 -0.435 1.00 0.00 C ATOM 0 H ILE A 36 6.326 -6.733 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 36 3.839 -8.117 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 36 4.911 -5.961 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.979 -6.313 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.768 -6.753 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.086 -3.860 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.152 -4.744 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.387 -4.796 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.486 -4.646 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.228 -4.347 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.426 -3.901 -1.247 1.00 0.00 H new ATOM 537 N ASP A 37 4.224 -6.586 -4.882 1.00 0.00 N ATOM 538 CA ASP A 37 3.571 -6.297 -6.193 1.00 0.00 C ATOM 539 C ASP A 37 2.858 -7.535 -6.749 1.00 0.00 C ATOM 540 O ASP A 37 1.858 -7.418 -7.429 1.00 0.00 O ATOM 541 CB ASP A 37 4.627 -5.834 -7.199 1.00 0.00 C ATOM 542 CG ASP A 37 5.240 -4.514 -6.727 1.00 0.00 C ATOM 543 OD1 ASP A 37 6.273 -4.141 -7.256 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.666 -3.900 -5.843 1.00 0.00 O ATOM 0 H ASP A 37 5.229 -6.416 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 37 2.829 -5.515 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.404 -6.592 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.176 -5.706 -8.183 1.00 0.00 H new ATOM 549 N SER A 38 3.368 -8.712 -6.505 1.00 0.00 N ATOM 550 CA SER A 38 2.709 -9.929 -7.065 1.00 0.00 C ATOM 551 C SER A 38 1.960 -10.711 -5.981 1.00 0.00 C ATOM 552 O SER A 38 0.755 -10.854 -6.034 1.00 0.00 O ATOM 553 CB SER A 38 3.770 -10.822 -7.709 1.00 0.00 C ATOM 554 OG SER A 38 4.336 -10.142 -8.838 1.00 0.00 O ATOM 0 H SER A 38 4.205 -8.884 -5.948 1.00 0.00 H new ATOM 0 HA SER A 38 1.980 -9.614 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.549 -11.061 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.326 -11.766 -8.023 1.00 0.00 H new ATOM 0 HG SER A 38 5.018 -10.710 -9.254 1.00 0.00 H new ATOM 559 N LEU A 39 2.657 -11.245 -5.016 1.00 0.00 N ATOM 560 CA LEU A 39 1.965 -12.042 -3.961 1.00 0.00 C ATOM 561 C LEU A 39 1.169 -11.131 -3.027 1.00 0.00 C ATOM 562 O LEU A 39 -0.003 -11.341 -2.788 1.00 0.00 O ATOM 563 CB LEU A 39 2.997 -12.820 -3.141 1.00 0.00 C ATOM 564 CG LEU A 39 3.631 -13.923 -3.996 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.899 -13.389 -4.664 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.989 -15.113 -3.103 1.00 0.00 C ATOM 0 H LEU A 39 3.669 -11.166 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 39 1.279 -12.733 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.770 -12.142 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.520 -13.258 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 39 2.924 -14.240 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.349 -14.174 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.646 -12.540 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.607 -13.072 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.440 -15.899 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.696 -14.794 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.086 -15.495 -2.626 1.00 0.00 H new ATOM 578 N GLY A 40 1.796 -10.126 -2.489 1.00 0.00 N ATOM 579 CA GLY A 40 1.073 -9.211 -1.563 1.00 0.00 C ATOM 580 C GLY A 40 -0.017 -8.460 -2.323 1.00 0.00 C ATOM 581 O GLY A 40 -1.086 -8.199 -1.808 1.00 0.00 O ATOM 0 H GLY A 40 2.777 -9.897 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.632 -9.781 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.772 -8.503 -1.118 1.00 0.00 H new ATOM 585 N LEU A 41 0.250 -8.105 -3.546 1.00 0.00 N ATOM 586 CA LEU A 41 -0.756 -7.363 -4.351 1.00 0.00 C ATOM 587 C LEU A 41 -2.032 -8.193 -4.452 1.00 0.00 C ATOM 588 O LEU A 41 -3.124 -7.679 -4.357 1.00 0.00 O ATOM 589 CB LEU A 41 -0.184 -7.112 -5.749 1.00 0.00 C ATOM 590 CG LEU A 41 -1.166 -6.289 -6.590 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.827 -4.803 -6.474 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.063 -6.719 -8.054 1.00 0.00 C ATOM 0 H LEU A 41 1.129 -8.298 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.988 -6.410 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.767 -6.585 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.018 -8.063 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.180 -6.457 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.528 -4.222 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.898 -4.494 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.187 -4.632 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.761 -6.135 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.047 -6.551 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.308 -7.778 -8.140 1.00 0.00 H new ATOM 604 N LEU A 42 -1.909 -9.469 -4.646 1.00 0.00 N ATOM 605 CA LEU A 42 -3.128 -10.315 -4.750 1.00 0.00 C ATOM 606 C LEU A 42 -3.861 -10.323 -3.407 1.00 0.00 C ATOM 607 O LEU A 42 -5.073 -10.259 -3.347 1.00 0.00 O ATOM 608 CB LEU A 42 -2.727 -11.744 -5.123 1.00 0.00 C ATOM 609 CG LEU A 42 -3.983 -12.588 -5.346 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.698 -12.113 -6.607 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.585 -14.057 -5.509 1.00 0.00 C ATOM 0 H LEU A 42 -1.022 -9.965 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.786 -9.911 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.116 -11.737 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.119 -12.181 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.649 -12.483 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.593 -12.714 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.980 -11.066 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.033 -12.219 -7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.479 -14.661 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.920 -14.161 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.073 -14.397 -4.609 1.00 0.00 H new ATOM 623 N LYS A 43 -3.132 -10.417 -2.327 1.00 0.00 N ATOM 624 CA LYS A 43 -3.778 -10.450 -0.985 1.00 0.00 C ATOM 625 C LYS A 43 -4.385 -9.087 -0.618 1.00 0.00 C ATOM 626 O LYS A 43 -5.482 -9.012 -0.102 1.00 0.00 O ATOM 627 CB LYS A 43 -2.729 -10.827 0.057 1.00 0.00 C ATOM 628 CG LYS A 43 -2.239 -12.253 -0.201 1.00 0.00 C ATOM 629 CD LYS A 43 -1.276 -12.671 0.912 1.00 0.00 C ATOM 630 CE LYS A 43 -0.691 -14.047 0.592 1.00 0.00 C ATOM 631 NZ LYS A 43 0.433 -14.339 1.527 1.00 0.00 N ATOM 0 H LYS A 43 -2.114 -10.472 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.583 -11.184 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.892 -10.130 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.153 -10.753 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.086 -12.938 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.739 -12.308 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.475 -11.938 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.799 -12.700 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.462 -14.812 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.337 -14.073 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.831 -15.275 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.172 -13.615 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.081 -14.331 2.506 1.00 0.00 H new ATOM 645 N VAL A 44 -3.674 -8.014 -0.844 1.00 0.00 N ATOM 646 CA VAL A 44 -4.211 -6.674 -0.465 1.00 0.00 C ATOM 647 C VAL A 44 -5.344 -6.233 -1.402 1.00 0.00 C ATOM 648 O VAL A 44 -6.338 -5.687 -0.964 1.00 0.00 O ATOM 649 CB VAL A 44 -3.082 -5.643 -0.508 1.00 0.00 C ATOM 650 CG1 VAL A 44 -2.102 -5.912 0.635 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.340 -5.741 -1.841 1.00 0.00 C ATOM 0 H VAL A 44 -2.749 -8.007 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.618 -6.746 0.544 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.506 -4.644 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.297 -5.177 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.625 -5.838 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.684 -6.913 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.537 -5.004 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.919 -6.740 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.034 -5.548 -2.659 1.00 0.00 H new ATOM 661 N ILE A 45 -5.206 -6.444 -2.681 1.00 0.00 N ATOM 662 CA ILE A 45 -6.281 -6.014 -3.623 1.00 0.00 C ATOM 663 C ILE A 45 -7.603 -6.692 -3.262 1.00 0.00 C ATOM 664 O ILE A 45 -8.636 -6.057 -3.191 1.00 0.00 O ATOM 665 CB ILE A 45 -5.887 -6.389 -5.056 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.174 -5.208 -5.723 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.136 -6.742 -5.863 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.076 -4.674 -4.803 1.00 0.00 C ATOM 0 H ILE A 45 -4.400 -6.893 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.406 -4.934 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.219 -7.250 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.743 -5.522 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.891 -4.417 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.849 -7.007 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.644 -7.587 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.808 -5.884 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.574 -3.835 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.518 -4.342 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.352 -5.464 -4.604 1.00 0.00 H new ATOM 680 N ALA A 46 -7.586 -7.977 -3.048 1.00 0.00 N ATOM 681 CA ALA A 46 -8.851 -8.688 -2.712 1.00 0.00 C ATOM 682 C ALA A 46 -9.427 -8.152 -1.400 1.00 0.00 C ATOM 683 O ALA A 46 -10.623 -7.995 -1.258 1.00 0.00 O ATOM 684 CB ALA A 46 -8.566 -10.184 -2.565 1.00 0.00 C ATOM 0 H ALA A 46 -6.754 -8.565 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.574 -8.523 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.490 -10.708 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.167 -10.572 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.838 -10.339 -1.769 1.00 0.00 H new ATOM 690 N TRP A 47 -8.595 -7.875 -0.434 1.00 0.00 N ATOM 691 CA TRP A 47 -9.111 -7.359 0.865 1.00 0.00 C ATOM 692 C TRP A 47 -9.478 -5.880 0.743 1.00 0.00 C ATOM 693 O TRP A 47 -10.545 -5.461 1.146 1.00 0.00 O ATOM 694 CB TRP A 47 -8.036 -7.529 1.937 1.00 0.00 C ATOM 695 CG TRP A 47 -8.133 -6.410 2.923 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.971 -6.376 3.984 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.376 -5.167 2.958 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.774 -5.189 4.668 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.800 -4.411 4.075 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.372 -4.628 2.135 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.245 -3.164 4.365 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.812 -3.376 2.424 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.247 -2.646 3.536 1.00 0.00 C ATOM 0 H TRP A 47 -7.582 -7.983 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.004 -7.921 1.140 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.161 -8.486 2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.048 -7.538 1.478 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.677 -7.148 4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.286 -4.922 5.508 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.030 -5.183 1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.584 -2.604 5.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.041 -2.972 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.811 -1.682 3.753 1.00 0.00 H new ATOM 714 N LEU A 48 -8.597 -5.082 0.208 1.00 0.00 N ATOM 715 CA LEU A 48 -8.888 -3.628 0.082 1.00 0.00 C ATOM 716 C LEU A 48 -10.132 -3.413 -0.781 1.00 0.00 C ATOM 717 O LEU A 48 -11.008 -2.643 -0.440 1.00 0.00 O ATOM 718 CB LEU A 48 -7.689 -2.941 -0.572 1.00 0.00 C ATOM 719 CG LEU A 48 -7.879 -1.429 -0.561 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.437 -0.879 0.789 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.030 -0.808 -1.671 1.00 0.00 C ATOM 0 H LEU A 48 -7.687 -5.375 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.069 -3.206 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.775 -3.204 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.573 -3.293 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.928 -1.186 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.571 0.203 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.038 -1.329 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.386 -1.117 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.162 0.274 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.980 -1.046 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.342 -1.209 -2.635 1.00 0.00 H new ATOM 733 N GLU A 49 -10.223 -4.083 -1.896 1.00 0.00 N ATOM 734 CA GLU A 49 -11.413 -3.904 -2.766 1.00 0.00 C ATOM 735 C GLU A 49 -12.652 -4.451 -2.054 1.00 0.00 C ATOM 736 O GLU A 49 -13.725 -3.889 -2.136 1.00 0.00 O ATOM 737 CB GLU A 49 -11.195 -4.650 -4.083 1.00 0.00 C ATOM 738 CG GLU A 49 -10.228 -3.863 -4.970 1.00 0.00 C ATOM 739 CD GLU A 49 -9.275 -3.045 -4.097 1.00 0.00 C ATOM 740 OE1 GLU A 49 -8.218 -3.558 -3.771 1.00 0.00 O ATOM 741 OE2 GLU A 49 -9.617 -1.920 -3.773 1.00 0.00 O ATOM 0 H GLU A 49 -9.526 -4.744 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.560 -2.844 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.795 -5.645 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.147 -4.785 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.661 -4.547 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.785 -3.202 -5.635 1.00 0.00 H new ATOM 748 N ASP A 50 -12.511 -5.539 -1.348 1.00 0.00 N ATOM 749 CA ASP A 50 -13.679 -6.114 -0.622 1.00 0.00 C ATOM 750 C ASP A 50 -14.171 -5.117 0.429 1.00 0.00 C ATOM 751 O ASP A 50 -15.356 -4.965 0.649 1.00 0.00 O ATOM 752 CB ASP A 50 -13.262 -7.410 0.066 1.00 0.00 C ATOM 753 CG ASP A 50 -14.488 -8.070 0.702 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.191 -8.773 -0.006 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.703 -7.860 1.884 1.00 0.00 O ATOM 0 H ASP A 50 -11.637 -6.055 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.481 -6.319 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.806 -8.087 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.511 -7.204 0.828 1.00 0.00 H new ATOM 760 N ARG A 51 -13.265 -4.446 1.082 1.00 0.00 N ATOM 761 CA ARG A 51 -13.667 -3.464 2.125 1.00 0.00 C ATOM 762 C ARG A 51 -14.558 -2.382 1.514 1.00 0.00 C ATOM 763 O ARG A 51 -15.509 -1.933 2.124 1.00 0.00 O ATOM 764 CB ARG A 51 -12.410 -2.816 2.706 1.00 0.00 C ATOM 765 CG ARG A 51 -11.612 -3.848 3.510 1.00 0.00 C ATOM 766 CD ARG A 51 -12.164 -3.939 4.935 1.00 0.00 C ATOM 767 NE ARG A 51 -12.057 -2.607 5.595 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.913 -2.211 6.084 1.00 0.00 C ATOM 769 NH1 ARG A 51 -10.820 -1.045 6.662 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.864 -2.982 5.996 1.00 0.00 N ATOM 0 H ARG A 51 -12.259 -4.536 0.937 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.222 -3.978 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.794 -2.414 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.686 -1.978 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.670 -4.823 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.559 -3.567 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.204 -4.264 4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.609 -4.685 5.504 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.877 -2.005 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.641 -0.443 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.927 -0.735 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.938 -3.894 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.970 -2.673 6.378 1.00 0.00 H new ATOM 784 N PHE A 52 -14.258 -1.952 0.322 1.00 0.00 N ATOM 785 CA PHE A 52 -15.088 -0.895 -0.315 1.00 0.00 C ATOM 786 C PHE A 52 -16.136 -1.531 -1.233 1.00 0.00 C ATOM 787 O PHE A 52 -16.910 -0.845 -1.869 1.00 0.00 O ATOM 788 CB PHE A 52 -14.184 0.027 -1.132 1.00 0.00 C ATOM 789 CG PHE A 52 -13.326 0.850 -0.200 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.847 2.005 0.395 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.010 0.458 0.068 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.052 2.768 1.257 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.214 1.221 0.931 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.735 2.376 1.526 1.00 0.00 C ATOM 0 H PHE A 52 -13.474 -2.287 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.598 -0.322 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.554 -0.562 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.788 0.682 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.863 2.307 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.608 -0.433 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.454 3.660 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.198 0.918 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.121 2.964 2.192 1.00 0.00 H new ATOM 804 N GLY A 53 -16.168 -2.833 -1.310 1.00 0.00 N ATOM 805 CA GLY A 53 -17.170 -3.494 -2.193 1.00 0.00 C ATOM 806 C GLY A 53 -16.783 -3.257 -3.652 1.00 0.00 C ATOM 807 O GLY A 53 -17.624 -3.038 -4.502 1.00 0.00 O ATOM 0 H GLY A 53 -15.548 -3.465 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.209 -4.563 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.165 -3.094 -1.998 1.00 0.00 H new ATOM 811 N ILE A 54 -15.513 -3.284 -3.944 1.00 0.00 N ATOM 812 CA ILE A 54 -15.059 -3.046 -5.343 1.00 0.00 C ATOM 813 C ILE A 54 -14.659 -4.372 -5.990 1.00 0.00 C ATOM 814 O ILE A 54 -14.185 -5.276 -5.333 1.00 0.00 O ATOM 815 CB ILE A 54 -13.843 -2.118 -5.320 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.196 -0.828 -4.579 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.431 -1.782 -6.754 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.911 -0.067 -4.244 1.00 0.00 C ATOM 0 H ILE A 54 -14.767 -3.461 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.869 -2.593 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.018 -2.616 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.849 -0.209 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.744 -1.059 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.565 -1.121 -6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.177 -2.700 -7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.257 -1.285 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.160 0.853 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.275 -0.687 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.381 0.176 -5.165 1.00 0.00 H new ATOM 830 N ALA A 55 -14.838 -4.498 -7.275 1.00 0.00 N ATOM 831 CA ALA A 55 -14.448 -5.764 -7.955 1.00 0.00 C ATOM 832 C ALA A 55 -13.003 -5.626 -8.441 1.00 0.00 C ATOM 833 O ALA A 55 -12.675 -4.722 -9.183 1.00 0.00 O ATOM 834 CB ALA A 55 -15.372 -6.014 -9.148 1.00 0.00 C ATOM 0 H ALA A 55 -15.236 -3.782 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.532 -6.602 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.084 -6.941 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.402 -6.093 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.290 -5.186 -9.852 1.00 0.00 H new ATOM 840 N ALA A 56 -12.134 -6.504 -8.025 1.00 0.00 N ATOM 841 CA ALA A 56 -10.711 -6.403 -8.462 1.00 0.00 C ATOM 842 C ALA A 56 -10.622 -6.583 -9.980 1.00 0.00 C ATOM 843 O ALA A 56 -9.852 -5.924 -10.650 1.00 0.00 O ATOM 844 CB ALA A 56 -9.886 -7.489 -7.770 1.00 0.00 C ATOM 0 H ALA A 56 -12.345 -7.285 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.321 -5.422 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.846 -7.415 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.944 -7.357 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.279 -8.470 -8.037 1.00 0.00 H new ATOM 850 N ASP A 57 -11.401 -7.474 -10.525 1.00 0.00 N ATOM 851 CA ASP A 57 -11.362 -7.704 -11.998 1.00 0.00 C ATOM 852 C ASP A 57 -11.771 -6.428 -12.741 1.00 0.00 C ATOM 853 O ASP A 57 -11.244 -6.114 -13.789 1.00 0.00 O ATOM 854 CB ASP A 57 -12.326 -8.832 -12.361 1.00 0.00 C ATOM 855 CG ASP A 57 -11.818 -10.149 -11.772 1.00 0.00 C ATOM 856 OD1 ASP A 57 -10.678 -10.179 -11.336 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.577 -11.104 -11.764 1.00 0.00 O ATOM 0 H ASP A 57 -12.065 -8.055 -10.014 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.348 -7.977 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.322 -8.611 -11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.413 -8.916 -13.444 1.00 0.00 H new ATOM 862 N ASP A 58 -12.715 -5.698 -12.213 1.00 0.00 N ATOM 863 CA ASP A 58 -13.167 -4.452 -12.897 1.00 0.00 C ATOM 864 C ASP A 58 -11.987 -3.502 -13.106 1.00 0.00 C ATOM 865 O ASP A 58 -11.897 -2.830 -14.116 1.00 0.00 O ATOM 866 CB ASP A 58 -14.232 -3.761 -12.047 1.00 0.00 C ATOM 867 CG ASP A 58 -15.509 -4.602 -12.042 1.00 0.00 C ATOM 868 OD1 ASP A 58 -16.402 -4.284 -11.275 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.573 -5.550 -12.808 1.00 0.00 O ATOM 0 H ASP A 58 -13.193 -5.910 -11.337 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.585 -4.715 -13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.868 -3.627 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.440 -2.767 -12.444 1.00 0.00 H new ATOM 874 N VAL A 59 -11.089 -3.430 -12.161 1.00 0.00 N ATOM 875 CA VAL A 59 -9.920 -2.511 -12.305 1.00 0.00 C ATOM 876 C VAL A 59 -8.617 -3.313 -12.288 1.00 0.00 C ATOM 877 O VAL A 59 -8.422 -4.180 -11.457 1.00 0.00 O ATOM 878 CB VAL A 59 -9.915 -1.514 -11.148 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.785 -0.502 -11.349 1.00 0.00 C ATOM 880 CG2 VAL A 59 -11.256 -0.778 -11.103 1.00 0.00 C ATOM 0 H VAL A 59 -11.113 -3.968 -11.294 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.999 -1.978 -13.253 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.761 -2.048 -10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.782 0.209 -10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.829 -1.025 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.937 0.032 -12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.253 -0.066 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.410 -0.245 -12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.062 -1.498 -10.958 1.00 0.00 H new ATOM 890 N GLU A 60 -7.722 -3.023 -13.194 1.00 0.00 N ATOM 891 CA GLU A 60 -6.424 -3.757 -13.229 1.00 0.00 C ATOM 892 C GLU A 60 -5.305 -2.828 -12.757 1.00 0.00 C ATOM 893 O GLU A 60 -5.256 -1.669 -13.115 1.00 0.00 O ATOM 894 CB GLU A 60 -6.133 -4.218 -14.658 1.00 0.00 C ATOM 895 CG GLU A 60 -4.863 -5.059 -14.669 1.00 0.00 C ATOM 896 CD GLU A 60 -4.525 -5.463 -16.105 1.00 0.00 C ATOM 897 OE1 GLU A 60 -3.548 -6.169 -16.287 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.250 -5.057 -16.999 1.00 0.00 O ATOM 0 H GLU A 60 -7.834 -2.308 -13.913 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.480 -4.626 -12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.971 -4.800 -15.042 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.017 -3.355 -15.314 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.037 -4.494 -14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.999 -5.948 -14.053 1.00 0.00 H new ATOM 905 N LEU A 61 -4.409 -3.327 -11.948 1.00 0.00 N ATOM 906 CA LEU A 61 -3.297 -2.475 -11.444 1.00 0.00 C ATOM 907 C LEU A 61 -1.990 -2.865 -12.139 1.00 0.00 C ATOM 908 O LEU A 61 -1.770 -4.015 -12.466 1.00 0.00 O ATOM 909 CB LEU A 61 -3.154 -2.672 -9.936 1.00 0.00 C ATOM 910 CG LEU A 61 -4.518 -2.513 -9.270 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.350 -2.504 -7.751 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.158 -1.200 -9.724 1.00 0.00 C ATOM 0 H LEU A 61 -4.401 -4.291 -11.614 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.516 -1.429 -11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.747 -3.661 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.452 -1.945 -9.529 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.160 -3.346 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.325 -2.390 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.898 -3.442 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.707 -1.673 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.132 -1.087 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.516 -0.366 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.282 -1.211 -10.807 1.00 0.00 H new ATOM 924 N SER A 62 -1.119 -1.915 -12.363 1.00 0.00 N ATOM 925 CA SER A 62 0.177 -2.225 -13.032 1.00 0.00 C ATOM 926 C SER A 62 1.322 -2.045 -12.032 1.00 0.00 C ATOM 927 O SER A 62 1.176 -1.383 -11.023 1.00 0.00 O ATOM 928 CB SER A 62 0.380 -1.276 -14.214 1.00 0.00 C ATOM 929 OG SER A 62 0.387 -2.026 -15.422 1.00 0.00 O ATOM 0 H SER A 62 -1.251 -0.936 -12.110 1.00 0.00 H new ATOM 0 HA SER A 62 0.164 -3.254 -13.390 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.416 -0.532 -14.239 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.319 -0.734 -14.103 1.00 0.00 H new ATOM 0 HG SER A 62 0.515 -1.421 -16.182 1.00 0.00 H new ATOM 935 N PRO A 63 2.452 -2.635 -12.313 1.00 0.00 N ATOM 936 CA PRO A 63 3.650 -2.550 -11.428 1.00 0.00 C ATOM 937 C PRO A 63 4.164 -1.115 -11.290 1.00 0.00 C ATOM 938 O PRO A 63 4.689 -0.726 -10.266 1.00 0.00 O ATOM 939 CB PRO A 63 4.696 -3.431 -12.119 1.00 0.00 C ATOM 940 CG PRO A 63 4.229 -3.593 -13.529 1.00 0.00 C ATOM 941 CD PRO A 63 2.710 -3.441 -13.512 1.00 0.00 C ATOM 0 HA PRO A 63 3.421 -2.875 -10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.682 -2.967 -12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.782 -4.398 -11.623 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.685 -2.843 -14.176 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.515 -4.569 -13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.347 -2.946 -14.413 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.212 -4.409 -13.458 1.00 0.00 H new ATOM 949 N GLU A 64 4.015 -0.328 -12.318 1.00 0.00 N ATOM 950 CA GLU A 64 4.490 1.082 -12.259 1.00 0.00 C ATOM 951 C GLU A 64 3.722 1.836 -11.172 1.00 0.00 C ATOM 952 O GLU A 64 4.220 2.775 -10.583 1.00 0.00 O ATOM 953 CB GLU A 64 4.255 1.757 -13.609 1.00 0.00 C ATOM 954 CG GLU A 64 4.863 3.154 -13.596 1.00 0.00 C ATOM 955 CD GLU A 64 4.537 3.868 -14.909 1.00 0.00 C ATOM 956 OE1 GLU A 64 4.968 4.999 -15.068 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.863 3.273 -15.732 1.00 0.00 O ATOM 0 H GLU A 64 3.583 -0.602 -13.200 1.00 0.00 H new ATOM 0 HA GLU A 64 5.555 1.095 -12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.701 1.163 -14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.186 1.817 -13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.472 3.724 -12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.943 3.090 -13.463 1.00 0.00 H new ATOM 964 N HIS A 65 2.510 1.438 -10.911 1.00 0.00 N ATOM 965 CA HIS A 65 1.702 2.135 -9.871 1.00 0.00 C ATOM 966 C HIS A 65 2.301 1.888 -8.485 1.00 0.00 C ATOM 967 O HIS A 65 2.131 2.678 -7.577 1.00 0.00 O ATOM 968 CB HIS A 65 0.266 1.610 -9.907 1.00 0.00 C ATOM 969 CG HIS A 65 -0.525 2.242 -8.796 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.030 1.503 -7.734 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.901 3.542 -8.562 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.675 2.357 -6.917 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.624 3.608 -7.377 1.00 0.00 N ATOM 0 H HIS A 65 2.042 0.659 -11.373 1.00 0.00 H new ATOM 0 HA HIS A 65 1.708 3.206 -10.074 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.192 1.838 -10.869 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.261 0.525 -9.800 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.930 0.497 -7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.671 4.383 -9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.172 2.066 -6.003 1.00 0.00 H new ATOM 982 N PHE A 66 2.991 0.797 -8.307 1.00 0.00 N ATOM 983 CA PHE A 66 3.587 0.503 -6.973 1.00 0.00 C ATOM 984 C PHE A 66 5.059 0.918 -6.951 1.00 0.00 C ATOM 985 O PHE A 66 5.779 0.631 -6.015 1.00 0.00 O ATOM 986 CB PHE A 66 3.461 -0.992 -6.686 1.00 0.00 C ATOM 987 CG PHE A 66 2.000 -1.342 -6.551 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.353 -1.170 -5.322 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.289 -1.824 -7.655 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.006 -1.479 -5.197 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.069 -2.137 -7.529 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.717 -1.963 -6.301 1.00 0.00 C ATOM 0 H PHE A 66 3.168 0.096 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 66 3.056 1.067 -6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.914 -1.570 -7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.996 -1.247 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.903 -0.799 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.788 -1.954 -8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.506 -1.344 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.617 -2.513 -8.380 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.766 -2.202 -6.205 1.00 0.00 H new ATOM 1002 N ARG A 67 5.513 1.592 -7.970 1.00 0.00 N ATOM 1003 CA ARG A 67 6.940 2.022 -7.997 1.00 0.00 C ATOM 1004 C ARG A 67 7.246 2.845 -6.742 1.00 0.00 C ATOM 1005 O ARG A 67 8.291 2.703 -6.139 1.00 0.00 O ATOM 1006 CB ARG A 67 7.188 2.875 -9.249 1.00 0.00 C ATOM 1007 CG ARG A 67 8.674 3.231 -9.369 1.00 0.00 C ATOM 1008 CD ARG A 67 9.445 2.068 -10.001 1.00 0.00 C ATOM 1009 NE ARG A 67 10.886 2.431 -10.109 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.281 3.267 -11.029 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.543 3.586 -11.123 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.414 3.787 -11.855 1.00 0.00 N ATOM 0 H ARG A 67 4.960 1.863 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 67 7.589 1.146 -8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.865 2.331 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.592 3.786 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.793 4.129 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.083 3.456 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.329 1.169 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.040 1.842 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 67 11.564 2.026 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.221 3.182 -10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.852 4.240 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.427 3.540 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.723 4.441 -12.574 1.00 0.00 H new ATOM 1026 N SER A 68 6.343 3.705 -6.345 1.00 0.00 N ATOM 1027 CA SER A 68 6.582 4.536 -5.127 1.00 0.00 C ATOM 1028 C SER A 68 5.383 4.423 -4.183 1.00 0.00 C ATOM 1029 O SER A 68 4.251 4.306 -4.612 1.00 0.00 O ATOM 1030 CB SER A 68 6.770 5.997 -5.538 1.00 0.00 C ATOM 1031 OG SER A 68 7.871 6.095 -6.433 1.00 0.00 O ATOM 0 H SER A 68 5.451 3.867 -6.812 1.00 0.00 H new ATOM 0 HA SER A 68 7.478 4.181 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.864 6.372 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.946 6.615 -4.657 1.00 0.00 H new ATOM 0 HG SER A 68 8.706 5.941 -5.943 1.00 0.00 H new ATOM 1037 N ILE A 69 5.618 4.458 -2.898 1.00 0.00 N ATOM 1038 CA ILE A 69 4.499 4.357 -1.928 1.00 0.00 C ATOM 1039 C ILE A 69 3.556 5.553 -2.095 1.00 0.00 C ATOM 1040 O ILE A 69 2.350 5.424 -2.011 1.00 0.00 O ATOM 1041 CB ILE A 69 5.069 4.358 -0.512 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.042 3.196 -0.347 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.940 4.197 0.489 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.698 3.269 1.033 1.00 0.00 C ATOM 0 H ILE A 69 6.544 4.553 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 69 3.944 3.436 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 69 5.589 5.300 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.515 2.248 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.804 3.233 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.347 4.198 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.237 5.023 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.424 3.255 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.393 2.438 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.239 4.211 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.930 3.211 1.804 1.00 0.00 H new ATOM 1056 N ARG A 70 4.099 6.718 -2.320 1.00 0.00 N ATOM 1057 CA ARG A 70 3.244 7.929 -2.480 1.00 0.00 C ATOM 1058 C ARG A 70 2.318 7.762 -3.687 1.00 0.00 C ATOM 1059 O ARG A 70 1.181 8.192 -3.670 1.00 0.00 O ATOM 1060 CB ARG A 70 4.136 9.154 -2.692 1.00 0.00 C ATOM 1061 CG ARG A 70 4.996 9.382 -1.447 1.00 0.00 C ATOM 1062 CD ARG A 70 5.788 10.681 -1.604 1.00 0.00 C ATOM 1063 NE ARG A 70 6.607 10.616 -2.847 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.418 11.594 -3.146 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.136 11.537 -4.235 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.513 12.628 -2.355 1.00 0.00 N ATOM 0 H ARG A 70 5.102 6.884 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 70 2.640 8.061 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.773 9.007 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.523 10.033 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.364 9.434 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.677 8.543 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.107 11.531 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.433 10.833 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 70 6.534 9.807 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.063 10.728 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.770 12.301 -4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.953 12.672 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.147 13.392 -2.589 1.00 0.00 H new ATOM 1080 N SER A 71 2.791 7.149 -4.736 1.00 0.00 N ATOM 1081 CA SER A 71 1.934 6.968 -5.937 1.00 0.00 C ATOM 1082 C SER A 71 0.670 6.195 -5.555 1.00 0.00 C ATOM 1083 O SER A 71 -0.411 6.480 -6.029 1.00 0.00 O ATOM 1084 CB SER A 71 2.712 6.184 -6.993 1.00 0.00 C ATOM 1085 OG SER A 71 3.949 6.838 -7.246 1.00 0.00 O ATOM 0 H SER A 71 3.733 6.766 -4.812 1.00 0.00 H new ATOM 0 HA SER A 71 1.652 7.943 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.890 5.165 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.130 6.113 -7.912 1.00 0.00 H new ATOM 0 HG SER A 71 4.452 6.337 -7.922 1.00 0.00 H new ATOM 1091 N ILE A 72 0.799 5.220 -4.699 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.386 4.430 -4.284 1.00 0.00 C ATOM 1093 C ILE A 72 -1.377 5.337 -3.551 1.00 0.00 C ATOM 1094 O ILE A 72 -2.573 5.257 -3.752 1.00 0.00 O ATOM 1095 CB ILE A 72 0.072 3.315 -3.344 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.134 2.464 -4.042 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.117 2.433 -2.979 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.709 1.455 -3.047 1.00 0.00 C ATOM 0 H ILE A 72 1.680 4.938 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.872 4.003 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 72 0.491 3.756 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.697 1.943 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.928 3.101 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.789 1.639 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.878 3.035 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.536 1.994 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.466 0.847 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.161 1.987 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.910 0.811 -2.679 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.890 6.191 -2.695 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.804 7.094 -1.939 1.00 0.00 C ATOM 1112 C ASP A 73 -2.607 7.963 -2.910 1.00 0.00 C ATOM 1113 O ASP A 73 -3.773 8.229 -2.698 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.983 7.994 -1.015 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.921 8.726 -0.053 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.436 9.553 0.702 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -3.107 8.449 -0.089 1.00 0.00 O ATOM 0 H ASP A 73 0.102 6.303 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.492 6.489 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.263 7.398 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.413 8.714 -1.603 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.994 8.417 -3.969 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.731 9.279 -4.938 1.00 0.00 C ATOM 1124 C ALA A 74 -3.845 8.477 -5.611 1.00 0.00 C ATOM 1125 O ALA A 74 -4.964 8.934 -5.729 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.759 9.796 -6.001 1.00 0.00 C ATOM 0 H ALA A 74 -1.019 8.230 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.172 10.121 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.296 10.426 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.972 10.378 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.315 8.952 -6.530 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.553 7.287 -6.055 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.606 6.469 -6.718 1.00 0.00 C ATOM 1134 C PHE A 75 -5.718 6.161 -5.714 1.00 0.00 C ATOM 1135 O PHE A 75 -6.890 6.308 -6.002 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.999 5.163 -7.223 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.043 4.389 -7.994 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.263 4.668 -9.348 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.790 3.393 -7.355 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.230 3.952 -10.063 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.756 2.676 -8.069 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.977 2.956 -9.423 1.00 0.00 C ATOM 0 H PHE A 75 -2.635 6.847 -5.988 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.019 7.024 -7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.140 5.371 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.636 4.569 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.686 5.436 -9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.621 3.178 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.400 4.168 -11.108 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.331 1.906 -7.576 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.724 2.403 -9.974 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.358 5.737 -4.535 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.384 5.418 -3.513 1.00 0.00 C ATOM 1154 C VAL A 76 -7.140 6.691 -3.125 1.00 0.00 C ATOM 1155 O VAL A 76 -8.345 6.685 -2.991 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.693 4.839 -2.282 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.700 4.725 -1.144 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.141 3.450 -2.614 1.00 0.00 C ATOM 0 H VAL A 76 -4.392 5.598 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.091 4.693 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.875 5.493 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.209 4.311 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.096 5.713 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.517 4.069 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.647 3.035 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.959 2.795 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.423 3.529 -3.430 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.444 7.782 -2.947 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.124 9.047 -2.564 1.00 0.00 C ATOM 1170 C VAL A 77 -8.145 9.433 -3.636 1.00 0.00 C ATOM 1171 O VAL A 77 -9.237 9.875 -3.340 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.077 10.153 -2.440 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.780 11.498 -2.303 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.212 9.903 -1.203 1.00 0.00 C ATOM 0 H VAL A 77 -5.432 7.849 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.639 8.911 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.445 10.158 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.036 12.290 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.398 11.677 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.410 11.490 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.465 10.692 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.842 9.899 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.712 8.939 -1.298 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.791 9.279 -4.880 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.728 9.646 -5.978 1.00 0.00 C ATOM 1186 C GLY A 78 -10.015 8.818 -5.893 1.00 0.00 C ATOM 1187 O GLY A 78 -11.074 9.275 -6.278 1.00 0.00 O ATOM 0 H GLY A 78 -6.889 8.913 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.968 10.707 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.248 9.482 -6.943 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.939 7.603 -5.415 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.169 6.759 -5.340 1.00 0.00 C ATOM 1193 C ALA A 79 -11.678 6.670 -3.901 1.00 0.00 C ATOM 1194 O ALA A 79 -12.850 6.863 -3.638 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.847 5.353 -5.848 1.00 0.00 C ATOM 0 H ALA A 79 -9.085 7.161 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.943 7.215 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.742 4.733 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.505 5.409 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.064 4.913 -5.230 1.00 0.00 H new ATOM 1201 N THR A 80 -10.815 6.374 -2.971 1.00 0.00 N ATOM 1202 CA THR A 80 -11.254 6.266 -1.549 1.00 0.00 C ATOM 1203 C THR A 80 -10.334 7.103 -0.662 1.00 0.00 C ATOM 1204 O THR A 80 -9.207 7.381 -1.009 1.00 0.00 O ATOM 1205 CB THR A 80 -11.191 4.802 -1.109 1.00 0.00 C ATOM 1206 OG1 THR A 80 -9.835 4.429 -0.904 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.809 3.914 -2.189 1.00 0.00 C ATOM 0 H THR A 80 -9.823 6.202 -3.132 1.00 0.00 H new ATOM 0 HA THR A 80 -12.276 6.633 -1.457 1.00 0.00 H new ATOM 0 HB THR A 80 -11.747 4.678 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.793 3.492 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.763 2.872 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.849 4.200 -2.344 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.256 4.036 -3.120 1.00 0.00 H new ATOM 1215 N THR A 81 -10.803 7.503 0.484 1.00 0.00 N ATOM 1216 CA THR A 81 -9.949 8.315 1.388 1.00 0.00 C ATOM 1217 C THR A 81 -10.171 7.865 2.839 1.00 0.00 C ATOM 1218 O THR A 81 -11.021 8.388 3.531 1.00 0.00 O ATOM 1219 CB THR A 81 -10.328 9.788 1.235 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.456 10.585 2.024 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.772 9.999 1.692 1.00 0.00 C ATOM 0 H THR A 81 -11.740 7.303 0.833 1.00 0.00 H new ATOM 0 HA THR A 81 -8.898 8.181 1.131 1.00 0.00 H new ATOM 0 HB THR A 81 -10.237 10.078 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.545 10.230 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.039 11.050 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.439 9.389 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.869 9.708 2.738 1.00 0.00 H new