USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 10 GLN : amide:sc= -1.71! C(o=-1.8!,f=-3.9!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 153:sc= -0.0635 (180deg=-0.946) USER MOD Set 2.1: A 1 GLN : amide:sc= -1.1! K(o=-1.1!,f=-0.016) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.033) USER MOD Single : A 8 SER OG : rot 114:sc= 0.658 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 15 TYR OH : rot -166:sc= 1.11 USER MOD Single : A 18 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.099) USER MOD Single : A 19 ASN : amide:sc= 1.23 K(o=1.2,f=-0.038) USER MOD Single : A 34 MET CE :methyl -114:sc= -2 (180deg=-2.45!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 59:sc= 0.335 USER MOD Single : A 49 THR OG1 : rot -7:sc= 0.232! USER MOD Single : A 51 GLN : amide:sc= -0.635 K(o=-0.64,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.291 X(o=0.29,f=0.23) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -18.464 -1.079 -7.248 1.00 0.00 N ATOM 2 CA GLN A 1 -17.152 -1.121 -6.566 1.00 0.00 C ATOM 3 C GLN A 1 -17.044 -2.389 -5.729 1.00 0.00 C ATOM 4 O GLN A 1 -16.207 -3.251 -6.001 1.00 0.00 O ATOM 5 CB GLN A 1 -16.970 0.110 -5.679 1.00 0.00 C ATOM 6 CG GLN A 1 -15.579 0.222 -5.080 1.00 0.00 C ATOM 7 CD GLN A 1 -15.444 1.393 -4.127 1.00 0.00 C ATOM 8 OE1 GLN A 1 -14.383 1.996 -4.013 1.00 0.00 O ATOM 9 NE2 GLN A 1 -16.511 1.706 -3.412 1.00 0.00 N ATOM 0 H1 GLN A 1 -18.532 -0.211 -7.818 1.00 0.00 H new ATOM 0 H2 GLN A 1 -18.560 -1.908 -7.868 1.00 0.00 H new ATOM 0 H3 GLN A 1 -19.224 -1.087 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 1 -16.366 -1.123 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -17.178 1.005 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -17.703 0.079 -4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -15.340 -0.701 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.850 0.327 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -17.378 1.182 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -16.467 2.471 -2.739 1.00 0.00 H new ATOM 20 N THR A 2 -17.901 -2.495 -4.718 1.00 0.00 N ATOM 21 CA THR A 2 -17.953 -3.671 -3.857 1.00 0.00 C ATOM 22 C THR A 2 -16.635 -3.866 -3.099 1.00 0.00 C ATOM 23 O THR A 2 -15.919 -4.856 -3.298 1.00 0.00 O ATOM 24 CB THR A 2 -18.294 -4.942 -4.670 1.00 0.00 C ATOM 25 OG1 THR A 2 -19.392 -4.673 -5.556 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.665 -6.097 -3.751 1.00 0.00 C ATOM 0 H THR A 2 -18.576 -1.771 -4.473 1.00 0.00 H new ATOM 0 HA THR A 2 -18.745 -3.504 -3.127 1.00 0.00 H new ATOM 0 HB THR A 2 -17.411 -5.222 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.603 -5.480 -6.070 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.900 -6.977 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.827 -6.320 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.534 -5.822 -3.154 1.00 0.00 H new ATOM 34 N SER A 3 -16.318 -2.916 -2.225 1.00 0.00 N ATOM 35 CA SER A 3 -15.146 -3.023 -1.365 1.00 0.00 C ATOM 36 C SER A 3 -15.515 -3.762 -0.082 1.00 0.00 C ATOM 37 O SER A 3 -15.224 -3.312 1.029 1.00 0.00 O ATOM 38 CB SER A 3 -14.590 -1.633 -1.047 1.00 0.00 C ATOM 39 OG SER A 3 -14.256 -0.933 -2.234 1.00 0.00 O ATOM 0 H SER A 3 -16.859 -2.061 -2.094 1.00 0.00 H new ATOM 0 HA SER A 3 -14.372 -3.587 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.327 -1.064 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.706 -1.727 -0.416 1.00 0.00 H new ATOM 0 HG SER A 3 -13.905 -0.048 -2.004 1.00 0.00 H new ATOM 45 N GLN A 4 -16.182 -4.893 -0.251 1.00 0.00 N ATOM 46 CA GLN A 4 -16.609 -5.714 0.865 1.00 0.00 C ATOM 47 C GLN A 4 -15.551 -6.775 1.158 1.00 0.00 C ATOM 48 O GLN A 4 -14.604 -6.527 1.901 1.00 0.00 O ATOM 49 CB GLN A 4 -17.959 -6.354 0.540 1.00 0.00 C ATOM 50 CG GLN A 4 -18.481 -7.285 1.616 1.00 0.00 C ATOM 51 CD GLN A 4 -18.817 -6.562 2.908 1.00 0.00 C ATOM 52 OE1 GLN A 4 -18.719 -7.127 3.995 1.00 0.00 O ATOM 53 NE2 GLN A 4 -19.230 -5.306 2.798 1.00 0.00 N ATOM 0 H GLN A 4 -16.441 -5.265 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.727 -5.097 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.691 -5.565 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.870 -6.910 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.372 -7.795 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.735 -8.053 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.299 -4.870 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.479 -4.776 3.633 1.00 0.00 H new ATOM 62 N ASP A 5 -15.701 -7.945 0.554 1.00 0.00 N ATOM 63 CA ASP A 5 -14.657 -8.968 0.591 1.00 0.00 C ATOM 64 C ASP A 5 -13.571 -8.643 -0.430 1.00 0.00 C ATOM 65 O ASP A 5 -13.133 -9.509 -1.188 1.00 0.00 O ATOM 66 CB ASP A 5 -15.235 -10.352 0.288 1.00 0.00 C ATOM 67 CG ASP A 5 -16.268 -10.798 1.297 1.00 0.00 C ATOM 68 OD1 ASP A 5 -15.888 -11.423 2.309 1.00 0.00 O ATOM 69 OD2 ASP A 5 -17.469 -10.542 1.066 1.00 0.00 O ATOM 0 H ASP A 5 -16.535 -8.213 0.031 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.230 -8.977 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.686 -10.341 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.424 -11.080 0.262 1.00 0.00 H new ATOM 74 N LEU A 6 -13.150 -7.391 -0.453 1.00 0.00 N ATOM 75 CA LEU A 6 -12.142 -6.939 -1.391 1.00 0.00 C ATOM 76 C LEU A 6 -10.846 -6.675 -0.645 1.00 0.00 C ATOM 77 O LEU A 6 -10.426 -5.528 -0.511 1.00 0.00 O ATOM 78 CB LEU A 6 -12.619 -5.683 -2.122 1.00 0.00 C ATOM 79 CG LEU A 6 -11.679 -5.153 -3.211 1.00 0.00 C ATOM 80 CD1 LEU A 6 -11.499 -6.184 -4.314 1.00 0.00 C ATOM 81 CD2 LEU A 6 -12.213 -3.847 -3.782 1.00 0.00 C ATOM 0 H LEU A 6 -13.495 -6.664 0.174 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.968 -7.712 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -13.588 -5.894 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.776 -4.894 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.705 -4.962 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.828 -5.788 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.073 -7.095 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.466 -6.409 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.535 -3.483 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.199 -4.015 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.288 -3.106 -2.986 1.00 0.00 H new ATOM 93 N PHE A 7 -10.285 -7.778 -0.132 1.00 0.00 N ATOM 94 CA PHE A 7 -9.007 -7.836 0.608 1.00 0.00 C ATOM 95 C PHE A 7 -8.460 -6.479 1.021 1.00 0.00 C ATOM 96 O PHE A 7 -7.938 -5.726 0.198 1.00 0.00 O ATOM 97 CB PHE A 7 -7.953 -8.558 -0.230 1.00 0.00 C ATOM 98 CG PHE A 7 -7.326 -9.719 0.481 1.00 0.00 C ATOM 99 CD1 PHE A 7 -6.523 -9.515 1.592 1.00 0.00 C ATOM 100 CD2 PHE A 7 -7.549 -11.014 0.049 1.00 0.00 C ATOM 101 CE1 PHE A 7 -5.950 -10.583 2.254 1.00 0.00 C ATOM 102 CE2 PHE A 7 -6.981 -12.087 0.709 1.00 0.00 C ATOM 103 CZ PHE A 7 -6.180 -11.870 1.813 1.00 0.00 C ATOM 0 H PHE A 7 -10.723 -8.695 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.226 -8.379 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.412 -8.911 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.174 -7.849 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.343 -8.510 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.174 -11.189 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.323 -10.411 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.163 -13.093 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.734 -12.707 2.330 1.00 0.00 H new ATOM 113 N SER A 8 -8.517 -6.198 2.305 1.00 0.00 N ATOM 114 CA SER A 8 -8.025 -4.941 2.811 1.00 0.00 C ATOM 115 C SER A 8 -6.878 -5.169 3.787 1.00 0.00 C ATOM 116 O SER A 8 -6.861 -6.152 4.534 1.00 0.00 O ATOM 117 CB SER A 8 -9.156 -4.177 3.495 1.00 0.00 C ATOM 118 OG SER A 8 -8.882 -2.797 3.536 1.00 0.00 O ATOM 0 H SER A 8 -8.899 -6.824 3.014 1.00 0.00 H new ATOM 0 HA SER A 8 -7.652 -4.350 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.091 -4.350 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.293 -4.554 4.508 1.00 0.00 H new ATOM 0 HG SER A 8 -9.530 -2.318 2.978 1.00 0.00 H new ATOM 124 N TYR A 9 -5.910 -4.271 3.763 1.00 0.00 N ATOM 125 CA TYR A 9 -4.801 -4.318 4.699 1.00 0.00 C ATOM 126 C TYR A 9 -4.738 -3.023 5.480 1.00 0.00 C ATOM 127 O TYR A 9 -5.198 -1.983 5.010 1.00 0.00 O ATOM 128 CB TYR A 9 -3.457 -4.497 3.992 1.00 0.00 C ATOM 129 CG TYR A 9 -3.327 -5.714 3.106 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.767 -6.965 3.509 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.736 -5.598 1.862 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.620 -8.067 2.687 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.583 -6.690 1.035 1.00 0.00 C ATOM 134 CZ TYR A 9 -3.027 -7.925 1.452 1.00 0.00 C ATOM 135 OH TYR A 9 -2.878 -9.019 0.632 1.00 0.00 O ATOM 0 H TYR A 9 -5.870 -3.496 3.101 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.975 -5.172 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.267 -3.611 3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.674 -4.539 4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.231 -7.080 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.387 -4.631 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.969 -9.036 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.118 -6.578 0.067 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.442 -8.746 -0.202 1.00 0.00 H new ATOM 145 N GLN A 10 -4.163 -3.080 6.663 1.00 0.00 N ATOM 146 CA GLN A 10 -3.890 -1.872 7.416 1.00 0.00 C ATOM 147 C GLN A 10 -2.384 -1.654 7.459 1.00 0.00 C ATOM 148 O GLN A 10 -1.621 -2.597 7.658 1.00 0.00 O ATOM 149 CB GLN A 10 -4.455 -1.962 8.829 1.00 0.00 C ATOM 150 CG GLN A 10 -4.540 -0.607 9.509 1.00 0.00 C ATOM 151 CD GLN A 10 -5.013 -0.698 10.943 1.00 0.00 C ATOM 152 OE1 GLN A 10 -4.209 -0.818 11.861 1.00 0.00 O ATOM 153 NE2 GLN A 10 -6.320 -0.637 11.141 1.00 0.00 N ATOM 0 H GLN A 10 -3.877 -3.944 7.123 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.375 -1.028 6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.448 -2.409 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.829 -2.626 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.560 -0.131 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.219 0.034 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.952 -0.537 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.695 -0.690 12.088 1.00 0.00 H new ATOM 162 N ALA A 11 -1.967 -0.419 7.277 1.00 0.00 N ATOM 163 CA ALA A 11 -0.557 -0.086 7.140 1.00 0.00 C ATOM 164 C ALA A 11 0.212 -0.254 8.445 1.00 0.00 C ATOM 165 O ALA A 11 -0.283 0.068 9.523 1.00 0.00 O ATOM 166 CB ALA A 11 -0.434 1.336 6.647 1.00 0.00 C ATOM 0 H ALA A 11 -2.592 0.385 7.219 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.117 -0.779 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.620 1.595 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.930 1.430 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.903 2.011 7.363 1.00 0.00 H new ATOM 172 N LEU A 12 1.428 -0.772 8.314 1.00 0.00 N ATOM 173 CA LEU A 12 2.344 -0.964 9.433 1.00 0.00 C ATOM 174 C LEU A 12 3.299 0.216 9.567 1.00 0.00 C ATOM 175 O LEU A 12 3.767 0.532 10.661 1.00 0.00 O ATOM 176 CB LEU A 12 3.171 -2.230 9.217 1.00 0.00 C ATOM 177 CG LEU A 12 2.393 -3.536 9.267 1.00 0.00 C ATOM 178 CD1 LEU A 12 2.917 -4.498 8.219 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.491 -4.153 10.653 1.00 0.00 C ATOM 0 H LEU A 12 1.810 -1.074 7.418 1.00 0.00 H new ATOM 0 HA LEU A 12 1.747 -1.049 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.666 -2.159 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.955 -2.265 9.974 1.00 0.00 H new ATOM 0 HG LEU A 12 1.344 -3.329 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.352 -5.429 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.806 -4.054 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.971 -4.703 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.930 -5.087 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.536 -4.351 10.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.077 -3.463 11.388 1.00 0.00 H new ATOM 191 N TYR A 13 3.603 0.846 8.439 1.00 0.00 N ATOM 192 CA TYR A 13 4.595 1.911 8.400 1.00 0.00 C ATOM 193 C TYR A 13 4.074 3.093 7.607 1.00 0.00 C ATOM 194 O TYR A 13 3.061 2.992 6.914 1.00 0.00 O ATOM 195 CB TYR A 13 5.898 1.422 7.753 1.00 0.00 C ATOM 196 CG TYR A 13 6.569 0.270 8.472 1.00 0.00 C ATOM 197 CD1 TYR A 13 7.482 0.502 9.493 1.00 0.00 C ATOM 198 CD2 TYR A 13 6.295 -1.048 8.125 1.00 0.00 C ATOM 199 CE1 TYR A 13 8.102 -0.545 10.148 1.00 0.00 C ATOM 200 CE2 TYR A 13 6.911 -2.101 8.775 1.00 0.00 C ATOM 201 CZ TYR A 13 7.813 -1.843 9.786 1.00 0.00 C ATOM 202 OH TYR A 13 8.430 -2.887 10.437 1.00 0.00 O ATOM 0 H TYR A 13 3.175 0.636 7.537 1.00 0.00 H new ATOM 0 HA TYR A 13 4.792 2.214 9.428 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.687 1.119 6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.597 2.257 7.701 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.711 1.518 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.589 -1.253 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.809 -0.347 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.687 -3.119 8.493 1.00 0.00 H new ATOM 0 HH TYR A 13 8.116 -3.737 10.063 1.00 0.00 H new ATOM 212 N SER A 14 4.774 4.205 7.713 1.00 0.00 N ATOM 213 CA SER A 14 4.457 5.384 6.936 1.00 0.00 C ATOM 214 C SER A 14 5.407 5.489 5.739 1.00 0.00 C ATOM 215 O SER A 14 6.627 5.561 5.907 1.00 0.00 O ATOM 216 CB SER A 14 4.548 6.627 7.821 1.00 0.00 C ATOM 217 OG SER A 14 5.608 6.510 8.756 1.00 0.00 O ATOM 0 H SER A 14 5.574 4.316 8.337 1.00 0.00 H new ATOM 0 HA SER A 14 3.438 5.308 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.702 7.509 7.200 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.606 6.771 8.350 1.00 0.00 H new ATOM 0 HG SER A 14 5.647 7.318 9.309 1.00 0.00 H new ATOM 223 N TYR A 15 4.850 5.489 4.536 1.00 0.00 N ATOM 224 CA TYR A 15 5.655 5.457 3.321 1.00 0.00 C ATOM 225 C TYR A 15 5.327 6.629 2.412 1.00 0.00 C ATOM 226 O TYR A 15 4.161 6.986 2.228 1.00 0.00 O ATOM 227 CB TYR A 15 5.433 4.134 2.579 1.00 0.00 C ATOM 228 CG TYR A 15 6.064 4.056 1.204 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.409 3.746 1.037 1.00 0.00 C ATOM 230 CD2 TYR A 15 5.296 4.272 0.071 1.00 0.00 C ATOM 231 CE1 TYR A 15 7.965 3.661 -0.226 1.00 0.00 C ATOM 232 CE2 TYR A 15 5.842 4.183 -1.191 1.00 0.00 C ATOM 233 CZ TYR A 15 7.175 3.877 -1.337 1.00 0.00 C ATOM 234 OH TYR A 15 7.720 3.785 -2.598 1.00 0.00 O ATOM 0 H TYR A 15 3.843 5.511 4.374 1.00 0.00 H new ATOM 0 HA TYR A 15 6.704 5.537 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.828 3.322 3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.361 3.966 2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.027 3.569 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.249 4.515 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.013 3.427 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.226 4.353 -2.062 1.00 0.00 H new ATOM 0 HH TYR A 15 7.102 4.176 -3.251 1.00 0.00 H new ATOM 244 N ILE A 16 6.367 7.203 1.838 1.00 0.00 N ATOM 245 CA ILE A 16 6.239 8.322 0.927 1.00 0.00 C ATOM 246 C ILE A 16 6.518 7.851 -0.493 1.00 0.00 C ATOM 247 O ILE A 16 7.653 7.518 -0.838 1.00 0.00 O ATOM 248 CB ILE A 16 7.211 9.462 1.300 1.00 0.00 C ATOM 249 CG1 ILE A 16 6.898 9.995 2.705 1.00 0.00 C ATOM 250 CG2 ILE A 16 7.148 10.584 0.271 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.480 10.502 2.863 1.00 0.00 C ATOM 0 H ILE A 16 7.330 6.904 1.992 1.00 0.00 H new ATOM 0 HA ILE A 16 5.223 8.709 0.998 1.00 0.00 H new ATOM 0 HB ILE A 16 8.225 9.062 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.074 9.202 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.591 10.803 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.841 11.376 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.423 10.195 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.135 10.985 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.334 10.862 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.305 11.317 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.779 9.692 2.661 1.00 0.00 H new ATOM 263 N PRO A 17 5.470 7.784 -1.317 1.00 0.00 N ATOM 264 CA PRO A 17 5.564 7.301 -2.696 1.00 0.00 C ATOM 265 C PRO A 17 6.529 8.113 -3.540 1.00 0.00 C ATOM 266 O PRO A 17 6.644 9.334 -3.390 1.00 0.00 O ATOM 267 CB PRO A 17 4.142 7.463 -3.232 1.00 0.00 C ATOM 268 CG PRO A 17 3.278 7.508 -2.026 1.00 0.00 C ATOM 269 CD PRO A 17 4.099 8.174 -0.967 1.00 0.00 C ATOM 0 HA PRO A 17 5.942 6.279 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.044 8.375 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.869 6.632 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.362 8.066 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.981 6.505 -1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.972 9.256 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.825 7.832 0.031 1.00 0.00 H new ATOM 277 N GLN A 18 7.214 7.421 -4.432 1.00 0.00 N ATOM 278 CA GLN A 18 8.153 8.052 -5.339 1.00 0.00 C ATOM 279 C GLN A 18 7.423 8.512 -6.581 1.00 0.00 C ATOM 280 O GLN A 18 7.883 9.386 -7.312 1.00 0.00 O ATOM 281 CB GLN A 18 9.265 7.070 -5.706 1.00 0.00 C ATOM 282 CG GLN A 18 10.035 6.560 -4.498 1.00 0.00 C ATOM 283 CD GLN A 18 10.799 7.664 -3.793 1.00 0.00 C ATOM 284 OE1 GLN A 18 10.275 8.320 -2.893 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.042 7.880 -4.194 1.00 0.00 N ATOM 0 H GLN A 18 7.135 6.411 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 18 8.603 8.917 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.832 6.222 -6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.958 7.556 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.341 6.097 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.732 5.785 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.442 7.315 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.600 8.611 -3.753 1.00 0.00 H new ATOM 294 N ASN A 19 6.262 7.924 -6.788 1.00 0.00 N ATOM 295 CA ASN A 19 5.439 8.208 -7.945 1.00 0.00 C ATOM 296 C ASN A 19 4.002 8.419 -7.504 1.00 0.00 C ATOM 297 O ASN A 19 3.572 7.863 -6.496 1.00 0.00 O ATOM 298 CB ASN A 19 5.506 7.041 -8.931 1.00 0.00 C ATOM 299 CG ASN A 19 6.883 6.848 -9.534 1.00 0.00 C ATOM 300 OD1 ASN A 19 7.221 7.452 -10.552 1.00 0.00 O ATOM 301 ND2 ASN A 19 7.680 5.988 -8.918 1.00 0.00 N ATOM 0 H ASN A 19 5.861 7.232 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 19 5.807 9.110 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.208 6.125 -8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.786 7.208 -9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.614 5.805 -9.285 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.360 5.509 -8.076 1.00 0.00 H new ATOM 308 N ASP A 20 3.265 9.220 -8.261 1.00 0.00 N ATOM 309 CA ASP A 20 1.853 9.467 -7.978 1.00 0.00 C ATOM 310 C ASP A 20 1.018 8.238 -8.319 1.00 0.00 C ATOM 311 O ASP A 20 -0.176 8.182 -8.024 1.00 0.00 O ATOM 312 CB ASP A 20 1.336 10.681 -8.759 1.00 0.00 C ATOM 313 CG ASP A 20 1.268 10.441 -10.255 1.00 0.00 C ATOM 314 OD1 ASP A 20 2.287 10.662 -10.941 1.00 0.00 O ATOM 315 OD2 ASP A 20 0.198 10.031 -10.752 1.00 0.00 O ATOM 0 H ASP A 20 3.621 9.713 -9.080 1.00 0.00 H new ATOM 0 HA ASP A 20 1.759 9.678 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.343 10.945 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.985 11.535 -8.563 1.00 0.00 H new ATOM 320 N ASP A 21 1.657 7.264 -8.959 1.00 0.00 N ATOM 321 CA ASP A 21 1.029 5.979 -9.239 1.00 0.00 C ATOM 322 C ASP A 21 1.041 5.117 -7.991 1.00 0.00 C ATOM 323 O ASP A 21 0.353 4.102 -7.915 1.00 0.00 O ATOM 324 CB ASP A 21 1.751 5.240 -10.372 1.00 0.00 C ATOM 325 CG ASP A 21 1.326 5.696 -11.753 1.00 0.00 C ATOM 326 OD1 ASP A 21 0.332 5.151 -12.279 1.00 0.00 O ATOM 327 OD2 ASP A 21 1.995 6.580 -12.330 1.00 0.00 O ATOM 0 H ASP A 21 2.617 7.342 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 21 0.002 6.169 -9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.826 5.385 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.563 4.171 -10.276 1.00 0.00 H new ATOM 332 N GLU A 22 1.836 5.526 -7.017 1.00 0.00 N ATOM 333 CA GLU A 22 1.938 4.808 -5.762 1.00 0.00 C ATOM 334 C GLU A 22 0.985 5.401 -4.739 1.00 0.00 C ATOM 335 O GLU A 22 0.538 6.542 -4.870 1.00 0.00 O ATOM 336 CB GLU A 22 3.370 4.860 -5.233 1.00 0.00 C ATOM 337 CG GLU A 22 4.359 4.035 -6.038 1.00 0.00 C ATOM 338 CD GLU A 22 5.792 4.500 -5.853 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.197 4.780 -4.701 1.00 0.00 O ATOM 340 OE2 GLU A 22 6.524 4.589 -6.863 1.00 0.00 O ATOM 0 H GLU A 22 2.423 6.358 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 22 1.667 3.767 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.704 5.898 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.377 4.511 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.279 2.989 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.097 4.089 -7.095 1.00 0.00 H new ATOM 347 N LEU A 23 0.691 4.623 -3.716 1.00 0.00 N ATOM 348 CA LEU A 23 -0.278 5.016 -2.711 1.00 0.00 C ATOM 349 C LEU A 23 0.436 5.544 -1.476 1.00 0.00 C ATOM 350 O LEU A 23 1.422 4.964 -1.020 1.00 0.00 O ATOM 351 CB LEU A 23 -1.176 3.817 -2.358 1.00 0.00 C ATOM 352 CG LEU A 23 -2.587 4.168 -1.873 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.564 4.756 -0.471 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.232 5.133 -2.850 1.00 0.00 C ATOM 0 H LEU A 23 1.113 3.708 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.907 5.814 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.262 3.178 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.681 3.230 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.176 3.252 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.581 4.993 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.132 4.032 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.962 5.665 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.236 5.383 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.633 6.042 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.291 4.669 -3.834 1.00 0.00 H new ATOM 366 N GLU A 24 -0.073 6.642 -0.937 1.00 0.00 N ATOM 367 CA GLU A 24 0.527 7.264 0.228 1.00 0.00 C ATOM 368 C GLU A 24 0.159 6.510 1.485 1.00 0.00 C ATOM 369 O GLU A 24 -0.990 6.534 1.931 1.00 0.00 O ATOM 370 CB GLU A 24 0.107 8.721 0.340 1.00 0.00 C ATOM 371 CG GLU A 24 1.236 9.668 0.011 1.00 0.00 C ATOM 372 CD GLU A 24 0.822 11.122 0.052 1.00 0.00 C ATOM 373 OE1 GLU A 24 0.357 11.587 1.112 1.00 0.00 O ATOM 374 OE2 GLU A 24 0.973 11.810 -0.979 1.00 0.00 O ATOM 0 H GLU A 24 -0.902 7.119 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 24 1.610 7.229 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.730 8.909 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.247 8.918 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.053 9.509 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.621 9.434 -0.982 1.00 0.00 H new ATOM 381 N LEU A 25 1.144 5.852 2.062 1.00 0.00 N ATOM 382 CA LEU A 25 0.900 4.993 3.199 1.00 0.00 C ATOM 383 C LEU A 25 1.283 5.686 4.493 1.00 0.00 C ATOM 384 O LEU A 25 2.306 6.355 4.581 1.00 0.00 O ATOM 385 CB LEU A 25 1.680 3.689 3.063 1.00 0.00 C ATOM 386 CG LEU A 25 1.460 2.933 1.752 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.429 1.770 1.648 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.024 2.442 1.650 1.00 0.00 C ATOM 0 H LEU A 25 2.118 5.896 1.762 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.166 4.769 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.743 3.908 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.409 3.034 3.891 1.00 0.00 H new ATOM 0 HG LEU A 25 1.646 3.616 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.262 1.240 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.452 2.145 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.270 1.088 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.112 1.907 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.192 1.773 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.655 3.294 1.684 1.00 0.00 H new ATOM 400 N ARG A 26 0.445 5.525 5.487 1.00 0.00 N ATOM 401 CA ARG A 26 0.724 6.000 6.824 1.00 0.00 C ATOM 402 C ARG A 26 0.350 4.915 7.802 1.00 0.00 C ATOM 403 O ARG A 26 -0.641 4.213 7.608 1.00 0.00 O ATOM 404 CB ARG A 26 -0.063 7.269 7.136 1.00 0.00 C ATOM 405 CG ARG A 26 -1.531 7.153 6.784 1.00 0.00 C ATOM 406 CD ARG A 26 -2.383 8.186 7.493 1.00 0.00 C ATOM 407 NE ARG A 26 -3.799 7.841 7.387 1.00 0.00 N ATOM 408 CZ ARG A 26 -4.679 7.939 8.382 1.00 0.00 C ATOM 409 NH1 ARG A 26 -4.338 8.503 9.536 1.00 0.00 N ATOM 410 NH2 ARG A 26 -5.910 7.476 8.210 1.00 0.00 N ATOM 0 H ARG A 26 -0.457 5.058 5.393 1.00 0.00 H new ATOM 0 HA ARG A 26 1.784 6.240 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.034 7.499 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.372 8.104 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.652 7.265 5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.885 6.155 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.095 8.246 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.209 9.170 7.058 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.138 7.501 6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.394 8.866 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.020 8.573 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.175 7.050 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.591 7.546 8.966 1.00 0.00 H new ATOM 424 N ASP A 27 1.149 4.777 8.835 1.00 0.00 N ATOM 425 CA ASP A 27 0.915 3.751 9.844 1.00 0.00 C ATOM 426 C ASP A 27 -0.499 3.850 10.409 1.00 0.00 C ATOM 427 O ASP A 27 -0.868 4.861 11.009 1.00 0.00 O ATOM 428 CB ASP A 27 1.935 3.861 10.976 1.00 0.00 C ATOM 429 CG ASP A 27 1.595 2.952 12.147 1.00 0.00 C ATOM 430 OD1 ASP A 27 1.449 1.731 11.944 1.00 0.00 O ATOM 431 OD2 ASP A 27 1.451 3.461 13.282 1.00 0.00 O ATOM 0 H ASP A 27 1.969 5.359 9.005 1.00 0.00 H new ATOM 0 HA ASP A 27 1.029 2.781 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.925 3.607 10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.981 4.894 11.322 1.00 0.00 H new ATOM 436 N GLY A 28 -1.281 2.800 10.194 1.00 0.00 N ATOM 437 CA GLY A 28 -2.631 2.752 10.715 1.00 0.00 C ATOM 438 C GLY A 28 -3.702 3.058 9.681 1.00 0.00 C ATOM 439 O GLY A 28 -4.894 2.965 9.982 1.00 0.00 O ATOM 0 H GLY A 28 -1.000 1.975 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.814 1.761 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.719 3.464 11.536 1.00 0.00 H new ATOM 443 N ASP A 29 -3.301 3.431 8.472 1.00 0.00 N ATOM 444 CA ASP A 29 -4.271 3.673 7.399 1.00 0.00 C ATOM 445 C ASP A 29 -4.601 2.358 6.705 1.00 0.00 C ATOM 446 O ASP A 29 -3.768 1.456 6.655 1.00 0.00 O ATOM 447 CB ASP A 29 -3.729 4.676 6.377 1.00 0.00 C ATOM 448 CG ASP A 29 -4.822 5.272 5.502 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.810 5.794 6.064 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.681 5.266 4.259 1.00 0.00 O ATOM 0 H ASP A 29 -2.326 3.572 8.207 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.173 4.095 7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.211 5.479 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.992 4.181 5.744 1.00 0.00 H new ATOM 455 N ILE A 30 -5.815 2.238 6.191 1.00 0.00 N ATOM 456 CA ILE A 30 -6.245 1.009 5.547 1.00 0.00 C ATOM 457 C ILE A 30 -6.242 1.156 4.031 1.00 0.00 C ATOM 458 O ILE A 30 -6.623 2.192 3.493 1.00 0.00 O ATOM 459 CB ILE A 30 -7.649 0.572 6.042 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.579 0.108 7.493 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.230 -0.537 5.184 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.604 1.228 8.505 1.00 0.00 C ATOM 0 H ILE A 30 -6.519 2.976 6.208 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.531 0.232 5.821 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.304 1.440 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.416 -0.562 7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.667 -0.472 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.213 -0.814 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.323 -0.190 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.571 -1.405 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.551 0.811 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.752 1.887 8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.528 1.796 8.396 1.00 0.00 H new ATOM 474 N VAL A 31 -5.776 0.120 3.358 1.00 0.00 N ATOM 475 CA VAL A 31 -5.741 0.093 1.905 1.00 0.00 C ATOM 476 C VAL A 31 -6.354 -1.199 1.374 1.00 0.00 C ATOM 477 O VAL A 31 -5.931 -2.296 1.744 1.00 0.00 O ATOM 478 CB VAL A 31 -4.301 0.253 1.367 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.225 -0.108 -0.111 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.817 1.678 1.575 1.00 0.00 C ATOM 0 H VAL A 31 -5.412 -0.724 3.800 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.331 0.938 1.551 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.657 -0.430 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.201 0.014 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.536 -1.144 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.884 0.547 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.801 1.777 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.474 2.367 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.828 1.914 2.639 1.00 0.00 H new ATOM 490 N ASP A 32 -7.351 -1.059 0.511 1.00 0.00 N ATOM 491 CA ASP A 32 -7.997 -2.210 -0.109 1.00 0.00 C ATOM 492 C ASP A 32 -7.232 -2.606 -1.361 1.00 0.00 C ATOM 493 O ASP A 32 -7.165 -1.833 -2.315 1.00 0.00 O ATOM 494 CB ASP A 32 -9.441 -1.883 -0.507 1.00 0.00 C ATOM 495 CG ASP A 32 -10.229 -1.176 0.582 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.547 -1.811 1.610 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.544 0.022 0.404 1.00 0.00 O ATOM 0 H ASP A 32 -7.732 -0.158 0.223 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.002 -3.025 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.430 -1.257 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.954 -2.808 -0.772 1.00 0.00 H new ATOM 502 N VAL A 33 -6.669 -3.801 -1.366 1.00 0.00 N ATOM 503 CA VAL A 33 -5.913 -4.276 -2.512 1.00 0.00 C ATOM 504 C VAL A 33 -6.836 -4.971 -3.513 1.00 0.00 C ATOM 505 O VAL A 33 -7.575 -5.893 -3.165 1.00 0.00 O ATOM 506 CB VAL A 33 -4.759 -5.219 -2.094 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.230 -6.302 -1.139 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.100 -5.833 -3.315 1.00 0.00 C ATOM 0 H VAL A 33 -6.721 -4.461 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.465 -3.405 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.022 -4.616 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.389 -6.942 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.637 -5.841 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.002 -6.901 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.292 -6.492 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.837 -6.406 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.697 -5.042 -3.947 1.00 0.00 H new ATOM 518 N MET A 34 -6.796 -4.510 -4.757 1.00 0.00 N ATOM 519 CA MET A 34 -7.663 -5.049 -5.791 1.00 0.00 C ATOM 520 C MET A 34 -6.863 -5.923 -6.752 1.00 0.00 C ATOM 521 O MET A 34 -7.383 -6.894 -7.301 1.00 0.00 O ATOM 522 CB MET A 34 -8.392 -3.917 -6.536 1.00 0.00 C ATOM 523 CG MET A 34 -7.596 -3.244 -7.652 1.00 0.00 C ATOM 524 SD MET A 34 -7.713 -4.135 -9.220 1.00 0.00 S ATOM 525 CE MET A 34 -6.684 -3.126 -10.279 1.00 0.00 C ATOM 0 H MET A 34 -6.173 -3.766 -5.071 1.00 0.00 H new ATOM 0 HA MET A 34 -8.421 -5.674 -5.320 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.312 -4.319 -6.961 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.682 -3.156 -5.811 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.958 -2.225 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.550 -3.173 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.299 -2.664 -11.051 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.202 -2.349 -9.685 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.922 -3.749 -10.747 1.00 0.00 H new ATOM 535 N GLU A 35 -5.590 -5.586 -6.942 1.00 0.00 N ATOM 536 CA GLU A 35 -4.734 -6.363 -7.822 1.00 0.00 C ATOM 537 C GLU A 35 -3.492 -6.823 -7.087 1.00 0.00 C ATOM 538 O GLU A 35 -2.909 -6.084 -6.294 1.00 0.00 O ATOM 539 CB GLU A 35 -4.337 -5.559 -9.056 1.00 0.00 C ATOM 540 CG GLU A 35 -3.595 -6.383 -10.089 1.00 0.00 C ATOM 541 CD GLU A 35 -3.033 -5.543 -11.213 1.00 0.00 C ATOM 542 OE1 GLU A 35 -3.794 -5.191 -12.135 1.00 0.00 O ATOM 543 OE2 GLU A 35 -1.823 -5.238 -11.182 1.00 0.00 O ATOM 0 H GLU A 35 -5.135 -4.787 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.300 -7.236 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.233 -5.138 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.711 -4.721 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.782 -6.921 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.270 -7.132 -10.503 1.00 0.00 H new ATOM 550 N LYS A 36 -3.095 -8.045 -7.362 1.00 0.00 N ATOM 551 CA LYS A 36 -1.929 -8.631 -6.734 1.00 0.00 C ATOM 552 C LYS A 36 -0.847 -8.877 -7.770 1.00 0.00 C ATOM 553 O LYS A 36 -1.122 -9.371 -8.863 1.00 0.00 O ATOM 554 CB LYS A 36 -2.292 -9.941 -6.040 1.00 0.00 C ATOM 555 CG LYS A 36 -3.205 -9.764 -4.837 1.00 0.00 C ATOM 556 CD LYS A 36 -3.624 -11.106 -4.268 1.00 0.00 C ATOM 557 CE LYS A 36 -4.543 -11.848 -5.225 1.00 0.00 C ATOM 558 NZ LYS A 36 -4.796 -13.245 -4.798 1.00 0.00 N ATOM 0 H LYS A 36 -3.568 -8.660 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.555 -7.933 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.778 -10.600 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.376 -10.438 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.692 -9.184 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.089 -9.197 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.740 -11.711 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.131 -10.957 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.492 -11.316 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.100 -11.850 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.427 -13.708 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.895 -13.763 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.243 -13.245 -3.859 1.00 0.00 H new ATOM 572 N CYS A 37 0.373 -8.503 -7.437 1.00 0.00 N ATOM 573 CA CYS A 37 1.509 -8.769 -8.297 1.00 0.00 C ATOM 574 C CYS A 37 2.386 -9.835 -7.672 1.00 0.00 C ATOM 575 O CYS A 37 2.594 -9.849 -6.457 1.00 0.00 O ATOM 576 CB CYS A 37 2.333 -7.502 -8.510 1.00 0.00 C ATOM 577 SG CYS A 37 1.382 -6.101 -9.140 1.00 0.00 S ATOM 0 H CYS A 37 0.603 -8.012 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 37 1.136 -9.114 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.794 -7.218 -7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.142 -7.721 -9.207 1.00 0.00 H new ATOM 0 HG CYS A 37 2.166 -5.074 -9.285 1.00 0.00 H new ATOM 583 N ASP A 38 2.910 -10.715 -8.508 1.00 0.00 N ATOM 584 CA ASP A 38 3.799 -11.773 -8.048 1.00 0.00 C ATOM 585 C ASP A 38 5.153 -11.191 -7.655 1.00 0.00 C ATOM 586 O ASP A 38 6.011 -11.890 -7.116 1.00 0.00 O ATOM 587 CB ASP A 38 3.973 -12.841 -9.131 1.00 0.00 C ATOM 588 CG ASP A 38 4.667 -12.314 -10.371 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.018 -11.599 -11.163 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.864 -12.615 -10.560 1.00 0.00 O ATOM 0 H ASP A 38 2.735 -10.719 -9.513 1.00 0.00 H new ATOM 0 HA ASP A 38 3.352 -12.243 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.548 -13.673 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.995 -13.234 -9.407 1.00 0.00 H new ATOM 595 N ASP A 39 5.330 -9.899 -7.920 1.00 0.00 N ATOM 596 CA ASP A 39 6.557 -9.202 -7.557 1.00 0.00 C ATOM 597 C ASP A 39 6.516 -8.770 -6.087 1.00 0.00 C ATOM 598 O ASP A 39 7.524 -8.345 -5.525 1.00 0.00 O ATOM 599 CB ASP A 39 6.753 -7.984 -8.467 1.00 0.00 C ATOM 600 CG ASP A 39 8.090 -7.296 -8.259 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.138 -7.952 -8.453 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.102 -6.102 -7.902 1.00 0.00 O ATOM 0 H ASP A 39 4.636 -9.314 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 39 7.399 -9.882 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.670 -8.298 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.951 -7.269 -8.285 1.00 0.00 H new ATOM 607 N GLY A 40 5.347 -8.888 -5.457 1.00 0.00 N ATOM 608 CA GLY A 40 5.273 -8.694 -4.019 1.00 0.00 C ATOM 609 C GLY A 40 4.524 -7.440 -3.636 1.00 0.00 C ATOM 610 O GLY A 40 3.864 -7.391 -2.596 1.00 0.00 O ATOM 0 H GLY A 40 4.461 -9.112 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.785 -9.556 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.283 -8.648 -3.611 1.00 0.00 H new ATOM 614 N TRP A 41 4.632 -6.416 -4.463 1.00 0.00 N ATOM 615 CA TRP A 41 3.912 -5.181 -4.217 1.00 0.00 C ATOM 616 C TRP A 41 2.525 -5.293 -4.834 1.00 0.00 C ATOM 617 O TRP A 41 2.348 -5.973 -5.842 1.00 0.00 O ATOM 618 CB TRP A 41 4.674 -3.984 -4.790 1.00 0.00 C ATOM 619 CG TRP A 41 6.167 -4.094 -4.642 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.082 -3.922 -5.635 1.00 0.00 C ATOM 621 CD2 TRP A 41 6.923 -4.416 -3.454 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.351 -4.109 -5.152 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.283 -4.412 -3.819 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.591 -4.705 -2.119 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.303 -4.683 -2.912 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.607 -4.975 -1.224 1.00 0.00 C ATOM 627 CH2 TRP A 41 8.948 -4.960 -1.623 1.00 0.00 C ATOM 0 H TRP A 41 5.207 -6.415 -5.305 1.00 0.00 H new ATOM 0 HA TRP A 41 3.818 -5.020 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.429 -3.880 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.334 -3.076 -4.293 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.842 -3.673 -6.658 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.209 -4.034 -5.699 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.560 -4.716 -1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.339 -4.675 -3.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.362 -5.202 -0.197 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.718 -5.172 -0.896 1.00 0.00 H new ATOM 638 N PHE A 42 1.545 -4.648 -4.229 1.00 0.00 N ATOM 639 CA PHE A 42 0.162 -4.858 -4.603 1.00 0.00 C ATOM 640 C PHE A 42 -0.491 -3.560 -5.067 1.00 0.00 C ATOM 641 O PHE A 42 0.052 -2.475 -4.868 1.00 0.00 O ATOM 642 CB PHE A 42 -0.606 -5.439 -3.419 1.00 0.00 C ATOM 643 CG PHE A 42 -0.063 -6.750 -2.911 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.399 -7.725 -3.787 1.00 0.00 C ATOM 645 CD2 PHE A 42 -0.030 -7.012 -1.551 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.884 -8.928 -3.314 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.456 -8.215 -1.074 1.00 0.00 C ATOM 648 CZ PHE A 42 0.912 -9.173 -1.956 1.00 0.00 C ATOM 0 H PHE A 42 1.683 -3.974 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 42 0.135 -5.560 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.597 -4.715 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.647 -5.578 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.378 -7.539 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.388 -6.268 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.241 -9.676 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.479 -8.405 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.290 -10.114 -1.584 1.00 0.00 H new ATOM 658 N VAL A 43 -1.653 -3.681 -5.692 1.00 0.00 N ATOM 659 CA VAL A 43 -2.398 -2.525 -6.168 1.00 0.00 C ATOM 660 C VAL A 43 -3.652 -2.335 -5.333 1.00 0.00 C ATOM 661 O VAL A 43 -4.453 -3.257 -5.185 1.00 0.00 O ATOM 662 CB VAL A 43 -2.770 -2.671 -7.660 1.00 0.00 C ATOM 663 CG1 VAL A 43 -4.052 -1.928 -8.000 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.650 -2.126 -8.502 1.00 0.00 C ATOM 0 H VAL A 43 -2.103 -4.576 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.760 -1.647 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.930 -3.730 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.277 -2.057 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.873 -2.326 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.927 -0.867 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.906 -2.226 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.495 -1.074 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.736 -2.683 -8.296 1.00 0.00 H new ATOM 674 N GLY A 44 -3.820 -1.137 -4.801 1.00 0.00 N ATOM 675 CA GLY A 44 -4.880 -0.900 -3.848 1.00 0.00 C ATOM 676 C GLY A 44 -5.361 0.533 -3.825 1.00 0.00 C ATOM 677 O GLY A 44 -4.934 1.361 -4.631 1.00 0.00 O ATOM 0 H GLY A 44 -3.241 -0.324 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.721 -1.553 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.531 -1.174 -2.852 1.00 0.00 H new ATOM 681 N THR A 45 -6.262 0.815 -2.900 1.00 0.00 N ATOM 682 CA THR A 45 -6.827 2.137 -2.742 1.00 0.00 C ATOM 683 C THR A 45 -6.813 2.539 -1.275 1.00 0.00 C ATOM 684 O THR A 45 -7.073 1.715 -0.401 1.00 0.00 O ATOM 685 CB THR A 45 -8.270 2.161 -3.275 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.273 1.830 -4.670 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.930 3.514 -3.071 1.00 0.00 C ATOM 0 H THR A 45 -6.621 0.129 -2.237 1.00 0.00 H new ATOM 0 HA THR A 45 -6.225 2.846 -3.311 1.00 0.00 H new ATOM 0 HB THR A 45 -8.843 1.424 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.193 1.844 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.947 3.485 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.957 3.749 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.360 4.280 -3.598 1.00 0.00 H new ATOM 695 N SER A 46 -6.509 3.799 -1.016 1.00 0.00 N ATOM 696 CA SER A 46 -6.477 4.310 0.344 1.00 0.00 C ATOM 697 C SER A 46 -7.897 4.430 0.872 1.00 0.00 C ATOM 698 O SER A 46 -8.760 4.988 0.209 1.00 0.00 O ATOM 699 CB SER A 46 -5.792 5.681 0.387 1.00 0.00 C ATOM 700 OG SER A 46 -5.781 6.213 1.706 1.00 0.00 O ATOM 0 H SER A 46 -6.280 4.489 -1.732 1.00 0.00 H new ATOM 0 HA SER A 46 -5.910 3.619 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.769 5.590 0.021 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.310 6.370 -0.281 1.00 0.00 H new ATOM 0 HG SER A 46 -5.310 5.596 2.304 1.00 0.00 H new ATOM 706 N ARG A 47 -8.134 3.894 2.053 1.00 0.00 N ATOM 707 CA ARG A 47 -9.445 3.965 2.682 1.00 0.00 C ATOM 708 C ARG A 47 -9.754 5.394 3.125 1.00 0.00 C ATOM 709 O ARG A 47 -10.916 5.794 3.210 1.00 0.00 O ATOM 710 CB ARG A 47 -9.483 3.030 3.886 1.00 0.00 C ATOM 711 CG ARG A 47 -10.835 2.935 4.557 1.00 0.00 C ATOM 712 CD ARG A 47 -10.704 2.331 5.937 1.00 0.00 C ATOM 713 NE ARG A 47 -11.998 2.183 6.593 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.154 2.057 7.906 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.092 2.067 8.706 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.371 1.935 8.415 1.00 0.00 N ATOM 0 H ARG A 47 -7.431 3.400 2.603 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.199 3.659 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.178 2.033 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.750 3.369 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.281 3.927 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.506 2.327 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.222 1.356 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.057 2.960 6.548 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.834 2.176 6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.157 2.171 8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.212 1.970 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.184 1.938 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.495 1.838 9.423 1.00 0.00 H new ATOM 730 N ARG A 48 -8.705 6.163 3.389 1.00 0.00 N ATOM 731 CA ARG A 48 -8.864 7.510 3.922 1.00 0.00 C ATOM 732 C ARG A 48 -9.182 8.519 2.826 1.00 0.00 C ATOM 733 O ARG A 48 -10.134 9.289 2.934 1.00 0.00 O ATOM 734 CB ARG A 48 -7.585 7.942 4.635 1.00 0.00 C ATOM 735 CG ARG A 48 -7.719 9.255 5.376 1.00 0.00 C ATOM 736 CD ARG A 48 -6.368 9.762 5.823 1.00 0.00 C ATOM 737 NE ARG A 48 -6.467 11.035 6.529 1.00 0.00 N ATOM 738 CZ ARG A 48 -5.438 11.642 7.114 1.00 0.00 C ATOM 739 NH1 ARG A 48 -4.220 11.121 7.026 1.00 0.00 N ATOM 740 NH2 ARG A 48 -5.625 12.776 7.776 1.00 0.00 N ATOM 0 H ARG A 48 -7.737 5.878 3.243 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.699 7.486 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.292 7.164 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.782 8.028 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.194 9.994 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.367 9.124 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.900 9.023 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.719 9.879 4.955 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.380 11.487 6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.072 10.254 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.432 11.588 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.558 13.183 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.836 13.241 8.224 1.00 0.00 H new ATOM 754 N THR A 49 -8.389 8.501 1.770 1.00 0.00 N ATOM 755 CA THR A 49 -8.496 9.509 0.726 1.00 0.00 C ATOM 756 C THR A 49 -8.997 8.915 -0.595 1.00 0.00 C ATOM 757 O THR A 49 -9.300 9.634 -1.543 1.00 0.00 O ATOM 758 CB THR A 49 -7.137 10.234 0.539 1.00 0.00 C ATOM 759 OG1 THR A 49 -7.112 10.993 -0.675 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.981 9.248 0.562 1.00 0.00 C ATOM 0 H THR A 49 -7.664 7.801 1.611 1.00 0.00 H new ATOM 0 HA THR A 49 -9.239 10.241 1.042 1.00 0.00 H new ATOM 0 HB THR A 49 -7.022 10.923 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.918 10.800 -1.198 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.042 9.785 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.967 8.725 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.103 8.525 -0.245 1.00 0.00 H new ATOM 768 N LYS A 50 -9.096 7.586 -0.627 1.00 0.00 N ATOM 769 CA LYS A 50 -9.664 6.849 -1.760 1.00 0.00 C ATOM 770 C LYS A 50 -8.871 7.076 -3.049 1.00 0.00 C ATOM 771 O LYS A 50 -9.446 7.214 -4.126 1.00 0.00 O ATOM 772 CB LYS A 50 -11.151 7.189 -1.980 1.00 0.00 C ATOM 773 CG LYS A 50 -12.046 7.009 -0.751 1.00 0.00 C ATOM 774 CD LYS A 50 -11.739 5.736 0.039 1.00 0.00 C ATOM 775 CE LYS A 50 -11.755 4.483 -0.826 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.108 4.152 -1.343 1.00 0.00 N ATOM 0 H LYS A 50 -8.783 6.986 0.136 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.592 5.792 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.226 8.223 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.536 6.563 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.929 7.872 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.088 6.989 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.761 5.834 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.469 5.627 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.074 4.620 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.378 3.642 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.057 3.291 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.755 3.993 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.461 4.940 -1.923 1.00 0.00 H new ATOM 790 N GLN A 51 -7.549 7.095 -2.934 1.00 0.00 N ATOM 791 CA GLN A 51 -6.692 7.166 -4.109 1.00 0.00 C ATOM 792 C GLN A 51 -6.331 5.761 -4.558 1.00 0.00 C ATOM 793 O GLN A 51 -6.180 4.864 -3.728 1.00 0.00 O ATOM 794 CB GLN A 51 -5.418 7.977 -3.846 1.00 0.00 C ATOM 795 CG GLN A 51 -4.970 7.987 -2.397 1.00 0.00 C ATOM 796 CD GLN A 51 -3.561 8.526 -2.215 1.00 0.00 C ATOM 797 OE1 GLN A 51 -2.848 8.127 -1.296 1.00 0.00 O ATOM 798 NE2 GLN A 51 -3.143 9.427 -3.090 1.00 0.00 N ATOM 0 H GLN A 51 -7.050 7.062 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.245 7.679 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.612 7.574 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.583 9.005 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.663 8.592 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.019 6.973 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.762 9.735 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.202 9.813 -3.014 1.00 0.00 H new ATOM 807 N PHE A 52 -6.199 5.577 -5.856 1.00 0.00 N ATOM 808 CA PHE A 52 -5.935 4.263 -6.424 1.00 0.00 C ATOM 809 C PHE A 52 -4.550 4.206 -7.062 1.00 0.00 C ATOM 810 O PHE A 52 -4.156 5.110 -7.804 1.00 0.00 O ATOM 811 CB PHE A 52 -7.022 3.923 -7.450 1.00 0.00 C ATOM 812 CG PHE A 52 -6.730 2.720 -8.304 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.662 1.452 -7.749 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.527 2.864 -9.668 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.396 0.352 -8.540 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.263 1.767 -10.462 1.00 0.00 C ATOM 817 CZ PHE A 52 -6.197 0.510 -9.899 1.00 0.00 C ATOM 0 H PHE A 52 -6.270 6.325 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.955 3.524 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.961 3.757 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.170 4.785 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.818 1.323 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.576 3.846 -10.114 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.343 -0.632 -8.097 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.108 1.893 -11.523 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.990 -0.350 -10.519 1.00 0.00 H new ATOM 827 N GLY A 53 -3.816 3.146 -6.756 1.00 0.00 N ATOM 828 CA GLY A 53 -2.508 2.950 -7.340 1.00 0.00 C ATOM 829 C GLY A 53 -1.827 1.717 -6.805 1.00 0.00 C ATOM 830 O GLY A 53 -2.481 0.767 -6.370 1.00 0.00 O ATOM 0 H GLY A 53 -4.107 2.414 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.603 2.870 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.887 3.823 -7.138 1.00 0.00 H new ATOM 834 N THR A 54 -0.512 1.743 -6.823 1.00 0.00 N ATOM 835 CA THR A 54 0.283 0.631 -6.357 1.00 0.00 C ATOM 836 C THR A 54 0.931 0.957 -5.018 1.00 0.00 C ATOM 837 O THR A 54 1.361 2.082 -4.776 1.00 0.00 O ATOM 838 CB THR A 54 1.369 0.268 -7.389 1.00 0.00 C ATOM 839 OG1 THR A 54 2.262 -0.728 -6.870 1.00 0.00 O ATOM 840 CG2 THR A 54 2.154 1.506 -7.816 1.00 0.00 C ATOM 0 H THR A 54 0.034 2.535 -7.161 1.00 0.00 H new ATOM 0 HA THR A 54 -0.380 -0.225 -6.228 1.00 0.00 H new ATOM 0 HB THR A 54 0.866 -0.142 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.940 -0.942 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.914 1.222 -8.544 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.475 2.231 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.635 1.950 -6.945 1.00 0.00 H new ATOM 848 N PHE A 55 0.995 -0.030 -4.150 1.00 0.00 N ATOM 849 CA PHE A 55 1.609 0.146 -2.849 1.00 0.00 C ATOM 850 C PHE A 55 2.401 -1.094 -2.476 1.00 0.00 C ATOM 851 O PHE A 55 1.993 -2.220 -2.766 1.00 0.00 O ATOM 852 CB PHE A 55 0.552 0.438 -1.776 1.00 0.00 C ATOM 853 CG PHE A 55 -0.348 -0.726 -1.467 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.344 -1.094 -2.347 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.193 -1.451 -0.295 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.173 -2.164 -2.070 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.018 -2.522 -0.013 1.00 0.00 C ATOM 858 CZ PHE A 55 -2.010 -2.880 -0.902 1.00 0.00 C ATOM 0 H PHE A 55 0.628 -0.966 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 55 2.284 1.000 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.056 0.747 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.059 1.279 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.478 -0.539 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.582 -1.175 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.949 -2.440 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.887 -3.079 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.656 -3.717 -0.685 1.00 0.00 H new ATOM 868 N PRO A 56 3.563 -0.902 -1.859 1.00 0.00 N ATOM 869 CA PRO A 56 4.371 -2.005 -1.358 1.00 0.00 C ATOM 870 C PRO A 56 3.639 -2.768 -0.261 1.00 0.00 C ATOM 871 O PRO A 56 3.505 -2.279 0.863 1.00 0.00 O ATOM 872 CB PRO A 56 5.627 -1.321 -0.809 1.00 0.00 C ATOM 873 CG PRO A 56 5.631 0.041 -1.416 1.00 0.00 C ATOM 874 CD PRO A 56 4.189 0.402 -1.615 1.00 0.00 C ATOM 0 HA PRO A 56 4.597 -2.742 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.601 -1.266 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.526 -1.875 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.128 0.759 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.170 0.046 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.770 0.895 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.054 1.081 -2.457 1.00 0.00 H new ATOM 882 N GLY A 57 3.183 -3.973 -0.596 1.00 0.00 N ATOM 883 CA GLY A 57 2.370 -4.767 0.316 1.00 0.00 C ATOM 884 C GLY A 57 3.113 -5.213 1.562 1.00 0.00 C ATOM 885 O GLY A 57 2.551 -5.889 2.421 1.00 0.00 O ATOM 0 H GLY A 57 3.364 -4.420 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.498 -4.185 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.002 -5.647 -0.211 1.00 0.00 H new ATOM 889 N ASN A 58 4.377 -4.837 1.658 1.00 0.00 N ATOM 890 CA ASN A 58 5.196 -5.184 2.790 1.00 0.00 C ATOM 891 C ASN A 58 4.943 -4.235 3.966 1.00 0.00 C ATOM 892 O ASN A 58 5.267 -4.550 5.108 1.00 0.00 O ATOM 893 CB ASN A 58 6.659 -5.148 2.355 1.00 0.00 C ATOM 894 CG ASN A 58 7.295 -3.771 2.451 1.00 0.00 C ATOM 895 OD1 ASN A 58 7.823 -3.389 3.491 1.00 0.00 O ATOM 896 ND2 ASN A 58 7.277 -3.026 1.356 1.00 0.00 N ATOM 0 H ASN A 58 4.858 -4.283 0.949 1.00 0.00 H new ATOM 0 HA ASN A 58 4.942 -6.186 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.228 -5.844 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.731 -5.500 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.711 -2.103 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.829 -3.375 0.509 1.00 0.00 H new ATOM 903 N TYR A 59 4.340 -3.079 3.685 1.00 0.00 N ATOM 904 CA TYR A 59 4.067 -2.090 4.727 1.00 0.00 C ATOM 905 C TYR A 59 2.643 -2.191 5.235 1.00 0.00 C ATOM 906 O TYR A 59 2.140 -1.255 5.849 1.00 0.00 O ATOM 907 CB TYR A 59 4.276 -0.663 4.217 1.00 0.00 C ATOM 908 CG TYR A 59 5.662 -0.349 3.727 1.00 0.00 C ATOM 909 CD1 TYR A 59 6.759 -0.430 4.570 1.00 0.00 C ATOM 910 CD2 TYR A 59 5.866 0.046 2.415 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.026 -0.129 4.115 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.125 0.350 1.953 1.00 0.00 C ATOM 913 CZ TYR A 59 8.202 0.263 2.804 1.00 0.00 C ATOM 914 OH TYR A 59 9.459 0.564 2.345 1.00 0.00 O ATOM 0 H TYR A 59 4.033 -2.806 2.751 1.00 0.00 H new ATOM 0 HA TYR A 59 4.767 -2.306 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.572 -0.479 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.027 0.031 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.620 -0.733 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.023 0.116 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.874 -0.200 4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.267 0.656 0.927 1.00 0.00 H new ATOM 0 HH TYR A 59 9.410 0.821 1.401 1.00 0.00 H new ATOM 924 N VAL A 60 1.988 -3.308 4.985 1.00 0.00 N ATOM 925 CA VAL A 60 0.597 -3.465 5.374 1.00 0.00 C ATOM 926 C VAL A 60 0.352 -4.865 5.904 1.00 0.00 C ATOM 927 O VAL A 60 1.089 -5.801 5.588 1.00 0.00 O ATOM 928 CB VAL A 60 -0.373 -3.162 4.206 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.353 -1.683 3.845 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.031 -4.008 2.997 1.00 0.00 C ATOM 0 H VAL A 60 2.393 -4.118 4.516 1.00 0.00 H new ATOM 0 HA VAL A 60 0.398 -2.739 6.163 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.381 -3.415 4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.044 -1.500 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.655 -1.093 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.654 -1.396 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.724 -3.781 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.987 -3.789 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.110 -5.063 3.257 1.00 0.00 H new ATOM 940 N LYS A 61 -0.678 -4.998 6.715 1.00 0.00 N ATOM 941 CA LYS A 61 -0.972 -6.257 7.379 1.00 0.00 C ATOM 942 C LYS A 61 -2.366 -6.749 7.021 1.00 0.00 C ATOM 943 O LYS A 61 -3.331 -5.979 7.047 1.00 0.00 O ATOM 944 CB LYS A 61 -0.812 -6.114 8.899 1.00 0.00 C ATOM 945 CG LYS A 61 -1.615 -4.983 9.533 1.00 0.00 C ATOM 946 CD LYS A 61 -1.274 -4.844 11.008 1.00 0.00 C ATOM 947 CE LYS A 61 -0.804 -3.439 11.361 1.00 0.00 C ATOM 948 NZ LYS A 61 -1.883 -2.422 11.227 1.00 0.00 N ATOM 0 H LYS A 61 -1.331 -4.245 6.933 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.257 -7.002 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.104 -7.053 9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.243 -5.959 9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.405 -4.047 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.681 -5.178 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.150 -5.093 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.496 -5.561 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.429 -3.432 12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.030 -3.166 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.694 -1.629 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.911 -2.073 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.798 -2.853 11.467 1.00 0.00 H new ATOM 962 N PRO A 62 -2.467 -8.037 6.648 1.00 0.00 N ATOM 963 CA PRO A 62 -3.733 -8.668 6.251 1.00 0.00 C ATOM 964 C PRO A 62 -4.806 -8.570 7.327 1.00 0.00 C ATOM 965 O PRO A 62 -4.583 -8.942 8.481 1.00 0.00 O ATOM 966 CB PRO A 62 -3.352 -10.132 6.018 1.00 0.00 C ATOM 967 CG PRO A 62 -1.888 -10.110 5.755 1.00 0.00 C ATOM 968 CD PRO A 62 -1.339 -8.982 6.576 1.00 0.00 C ATOM 0 HA PRO A 62 -4.163 -8.178 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.588 -10.745 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.899 -10.553 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.427 -11.057 6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.684 -9.957 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.031 -9.318 7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.465 -8.531 6.106 1.00 0.00 H new ATOM 976 N LEU A 63 -5.966 -8.063 6.940 1.00 0.00 N ATOM 977 CA LEU A 63 -7.093 -7.954 7.846 1.00 0.00 C ATOM 978 C LEU A 63 -8.060 -9.107 7.618 1.00 0.00 C ATOM 979 O LEU A 63 -7.717 -10.089 6.957 1.00 0.00 O ATOM 980 CB LEU A 63 -7.807 -6.618 7.641 1.00 0.00 C ATOM 981 CG LEU A 63 -6.956 -5.379 7.913 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.746 -4.130 7.582 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.491 -5.354 9.362 1.00 0.00 C ATOM 0 H LEU A 63 -6.150 -7.719 5.997 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.726 -8.001 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.170 -6.572 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.682 -6.588 8.290 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.071 -5.413 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.134 -3.250 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.030 -4.147 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.643 -4.093 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.886 -4.464 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.358 -5.338 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.895 -6.243 9.568 1.00 0.00 H new ATOM 995 N TYR A 64 -9.261 -8.987 8.157 1.00 0.00 N ATOM 996 CA TYR A 64 -10.262 -10.033 8.003 1.00 0.00 C ATOM 997 C TYR A 64 -10.871 -9.987 6.610 1.00 0.00 C ATOM 998 O TYR A 64 -10.827 -10.966 5.861 1.00 0.00 O ATOM 999 CB TYR A 64 -11.337 -9.939 9.097 1.00 0.00 C ATOM 1000 CG TYR A 64 -11.951 -8.568 9.318 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -11.252 -7.569 9.987 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -13.241 -8.288 8.892 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -11.823 -6.333 10.224 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -13.816 -7.053 9.118 1.00 0.00 C ATOM 1005 CZ TYR A 64 -13.105 -6.080 9.785 1.00 0.00 C ATOM 1006 OH TYR A 64 -13.685 -4.858 10.029 1.00 0.00 O ATOM 0 H TYR A 64 -9.567 -8.181 8.702 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.770 -10.999 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.137 -10.637 8.852 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.899 -10.274 10.037 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.245 -7.762 10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.806 -9.049 8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.268 -5.570 10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.819 -6.851 8.773 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.590 -4.844 9.652 1.00 0.00 H new ATOM 1016 N LEU A 65 -11.426 -8.849 6.267 1.00 0.00 N ATOM 1017 CA LEU A 65 -11.929 -8.616 4.918 1.00 0.00 C ATOM 1018 C LEU A 65 -10.974 -7.713 4.158 1.00 0.00 C ATOM 1019 O LEU A 65 -11.141 -6.481 4.231 1.00 0.00 O ATOM 1020 CB LEU A 65 -13.333 -8.003 4.942 1.00 0.00 C ATOM 1021 CG LEU A 65 -14.492 -9.006 4.964 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -14.471 -9.846 6.227 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -15.819 -8.280 4.834 1.00 0.00 C ATOM 1024 OXT LEU A 65 -10.039 -8.243 3.521 1.00 0.00 O ATOM 0 H LEU A 65 -11.545 -8.060 6.902 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.995 -9.579 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.415 -7.361 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.446 -7.363 4.067 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.371 -9.678 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.306 -10.547 6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.533 -10.399 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.559 -9.196 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.633 -9.004 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.936 -7.583 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.842 -7.730 3.893 1.00 0.00 H new TER 1036 LEU A 65