USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 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 15 TYR OH : rot -154:sc= 0.526 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.052 K(o=0.93,f=1.5) USER MOD Set 1.3: A 59 TYR OH : rot -109:sc= 0.356 USER MOD Single : A 1 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.2) USER MOD Single : A 1 GLN N :NH3+ 180:sc= -0.224 (180deg=-0.224) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 2:sc= -0.209 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 10 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.85) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -124:sc= 1.01 USER MOD Single : A 19 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.14) USER MOD Single : A 34 MET CE :methyl 149:sc= -0.508 (180deg=-1.16) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.907 (180deg=-1.62!) USER MOD Single : A 37 CYS SG : rot 116:sc= 0.126 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 56:sc= 0.397 USER MOD Single : A 49 THR OG1 : rot -13:sc= 0.105! USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 51 GLN : amide:sc= -1.7 K(o=-1.7,f=-5.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -22.819 -9.479 -7.825 1.00 0.00 N ATOM 2 CA GLN A 1 -23.422 -9.019 -6.556 1.00 0.00 C ATOM 3 C GLN A 1 -22.508 -9.364 -5.379 1.00 0.00 C ATOM 4 O GLN A 1 -22.766 -8.980 -4.239 1.00 0.00 O ATOM 5 CB GLN A 1 -24.805 -9.661 -6.375 1.00 0.00 C ATOM 6 CG GLN A 1 -25.620 -9.085 -5.224 1.00 0.00 C ATOM 7 CD GLN A 1 -25.808 -7.584 -5.339 1.00 0.00 C ATOM 8 OE1 GLN A 1 -26.768 -7.109 -5.946 1.00 0.00 O ATOM 9 NE2 GLN A 1 -24.893 -6.830 -4.752 1.00 0.00 N ATOM 0 H1 GLN A 1 -23.450 -9.239 -8.616 1.00 0.00 H new ATOM 0 H2 GLN A 1 -21.899 -9.013 -7.961 1.00 0.00 H new ATOM 0 H3 GLN A 1 -22.683 -10.510 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 1 -23.541 -7.936 -6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -25.371 -9.543 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -24.677 -10.731 -6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -26.596 -9.569 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -25.124 -9.315 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -24.113 -7.265 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -24.967 -5.814 -4.792 1.00 0.00 H new ATOM 20 N THR A 2 -21.433 -10.084 -5.662 1.00 0.00 N ATOM 21 CA THR A 2 -20.494 -10.484 -4.630 1.00 0.00 C ATOM 22 C THR A 2 -19.215 -9.662 -4.751 1.00 0.00 C ATOM 23 O THR A 2 -18.809 -9.305 -5.857 1.00 0.00 O ATOM 24 CB THR A 2 -20.164 -11.984 -4.757 1.00 0.00 C ATOM 25 OG1 THR A 2 -21.377 -12.725 -4.957 1.00 0.00 O ATOM 26 CG2 THR A 2 -19.453 -12.502 -3.514 1.00 0.00 C ATOM 0 H THR A 2 -21.191 -10.403 -6.600 1.00 0.00 H new ATOM 0 HA THR A 2 -20.947 -10.307 -3.655 1.00 0.00 H new ATOM 0 HB THR A 2 -19.499 -12.115 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.168 -13.679 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.234 -13.563 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.522 -11.953 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.093 -12.361 -2.643 1.00 0.00 H new ATOM 34 N SER A 3 -18.582 -9.364 -3.625 1.00 0.00 N ATOM 35 CA SER A 3 -17.383 -8.536 -3.622 1.00 0.00 C ATOM 36 C SER A 3 -16.121 -9.361 -3.883 1.00 0.00 C ATOM 37 O SER A 3 -15.009 -8.911 -3.597 1.00 0.00 O ATOM 38 CB SER A 3 -17.277 -7.780 -2.296 1.00 0.00 C ATOM 39 OG SER A 3 -17.644 -8.605 -1.202 1.00 0.00 O ATOM 0 H SER A 3 -18.878 -9.683 -2.702 1.00 0.00 H new ATOM 0 HA SER A 3 -17.467 -7.816 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.256 -7.423 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.921 -6.901 -2.324 1.00 0.00 H new ATOM 0 HG SER A 3 -17.565 -8.097 -0.368 1.00 0.00 H new ATOM 45 N GLN A 4 -16.308 -10.559 -4.445 1.00 0.00 N ATOM 46 CA GLN A 4 -15.205 -11.444 -4.810 1.00 0.00 C ATOM 47 C GLN A 4 -14.348 -11.789 -3.587 1.00 0.00 C ATOM 48 O GLN A 4 -14.702 -12.656 -2.789 1.00 0.00 O ATOM 49 CB GLN A 4 -14.357 -10.789 -5.913 1.00 0.00 C ATOM 50 CG GLN A 4 -13.191 -11.633 -6.384 1.00 0.00 C ATOM 51 CD GLN A 4 -13.626 -12.835 -7.198 1.00 0.00 C ATOM 52 OE1 GLN A 4 -13.882 -13.913 -6.661 1.00 0.00 O ATOM 53 NE2 GLN A 4 -13.715 -12.653 -8.505 1.00 0.00 N ATOM 0 H GLN A 4 -17.230 -10.940 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.616 -12.378 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -14.999 -10.568 -6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.976 -9.836 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.522 -11.017 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.622 -11.973 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.494 -11.743 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.005 -13.422 -9.108 1.00 0.00 H new ATOM 62 N ASP A 5 -13.228 -11.102 -3.458 1.00 0.00 N ATOM 63 CA ASP A 5 -12.383 -11.176 -2.279 1.00 0.00 C ATOM 64 C ASP A 5 -11.972 -9.771 -1.915 1.00 0.00 C ATOM 65 O ASP A 5 -11.102 -9.177 -2.553 1.00 0.00 O ATOM 66 CB ASP A 5 -11.136 -12.036 -2.508 1.00 0.00 C ATOM 67 CG ASP A 5 -11.434 -13.519 -2.591 1.00 0.00 C ATOM 68 OD1 ASP A 5 -11.604 -14.157 -1.530 1.00 0.00 O ATOM 69 OD2 ASP A 5 -11.482 -14.061 -3.717 1.00 0.00 O ATOM 0 H ASP A 5 -12.875 -10.470 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.947 -11.647 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.649 -11.719 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.429 -11.860 -1.698 1.00 0.00 H new ATOM 74 N LEU A 6 -12.614 -9.241 -0.902 1.00 0.00 N ATOM 75 CA LEU A 6 -12.432 -7.861 -0.509 1.00 0.00 C ATOM 76 C LEU A 6 -11.212 -7.746 0.388 1.00 0.00 C ATOM 77 O LEU A 6 -11.293 -7.369 1.557 1.00 0.00 O ATOM 78 CB LEU A 6 -13.699 -7.357 0.178 1.00 0.00 C ATOM 79 CG LEU A 6 -13.738 -5.855 0.472 1.00 0.00 C ATOM 80 CD1 LEU A 6 -13.708 -5.060 -0.824 1.00 0.00 C ATOM 81 CD2 LEU A 6 -14.973 -5.502 1.286 1.00 0.00 C ATOM 0 H LEU A 6 -13.280 -9.754 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.258 -7.236 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.555 -7.609 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.821 -7.896 1.117 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.856 -5.595 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -13.736 -3.994 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.794 -5.291 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -14.572 -5.325 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.983 -4.430 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -15.868 -5.776 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -14.954 -6.046 2.230 1.00 0.00 H new ATOM 93 N PHE A 7 -10.085 -8.128 -0.180 1.00 0.00 N ATOM 94 CA PHE A 7 -8.807 -8.078 0.502 1.00 0.00 C ATOM 95 C PHE A 7 -8.396 -6.644 0.797 1.00 0.00 C ATOM 96 O PHE A 7 -8.105 -5.867 -0.108 1.00 0.00 O ATOM 97 CB PHE A 7 -7.726 -8.759 -0.340 1.00 0.00 C ATOM 98 CG PHE A 7 -7.185 -10.010 0.289 1.00 0.00 C ATOM 99 CD1 PHE A 7 -7.795 -11.234 0.066 1.00 0.00 C ATOM 100 CD2 PHE A 7 -6.068 -9.961 1.106 1.00 0.00 C ATOM 101 CE1 PHE A 7 -7.300 -12.386 0.647 1.00 0.00 C ATOM 102 CE2 PHE A 7 -5.568 -11.108 1.691 1.00 0.00 C ATOM 103 CZ PHE A 7 -6.185 -12.323 1.462 1.00 0.00 C ATOM 0 H PHE A 7 -10.030 -8.484 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.916 -8.608 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.137 -9.002 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.907 -8.059 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.667 -11.288 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.582 -9.014 1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.784 -13.334 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.696 -11.055 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.797 -13.222 1.919 1.00 0.00 H new ATOM 113 N SER A 8 -8.392 -6.300 2.066 1.00 0.00 N ATOM 114 CA SER A 8 -7.891 -5.018 2.500 1.00 0.00 C ATOM 115 C SER A 8 -6.762 -5.242 3.500 1.00 0.00 C ATOM 116 O SER A 8 -6.752 -6.246 4.217 1.00 0.00 O ATOM 117 CB SER A 8 -9.020 -4.191 3.122 1.00 0.00 C ATOM 118 OG SER A 8 -8.646 -2.837 3.253 1.00 0.00 O ATOM 0 H SER A 8 -8.733 -6.897 2.819 1.00 0.00 H new ATOM 0 HA SER A 8 -7.505 -4.462 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.914 -4.266 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.276 -4.597 4.101 1.00 0.00 H new ATOM 0 HG SER A 8 -7.746 -2.709 2.887 1.00 0.00 H new ATOM 124 N TYR A 9 -5.796 -4.340 3.522 1.00 0.00 N ATOM 125 CA TYR A 9 -4.701 -4.434 4.471 1.00 0.00 C ATOM 126 C TYR A 9 -4.660 -3.199 5.339 1.00 0.00 C ATOM 127 O TYR A 9 -5.169 -2.146 4.961 1.00 0.00 O ATOM 128 CB TYR A 9 -3.346 -4.562 3.771 1.00 0.00 C ATOM 129 CG TYR A 9 -3.219 -5.708 2.800 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.642 -6.989 3.117 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.653 -5.495 1.562 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.501 -8.028 2.217 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.503 -6.519 0.655 1.00 0.00 C ATOM 134 CZ TYR A 9 -2.929 -7.786 0.985 1.00 0.00 C ATOM 135 OH TYR A 9 -2.777 -8.815 0.089 1.00 0.00 O ATOM 0 H TYR A 9 -5.748 -3.537 2.895 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.878 -5.327 5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.144 -3.633 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.573 -4.667 4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.089 -7.178 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.320 -4.502 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.836 -9.022 2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.054 -6.330 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.359 -8.476 -0.730 1.00 0.00 H new ATOM 145 N GLN A 10 -4.043 -3.328 6.494 1.00 0.00 N ATOM 146 CA GLN A 10 -3.799 -2.184 7.343 1.00 0.00 C ATOM 147 C GLN A 10 -2.308 -1.892 7.350 1.00 0.00 C ATOM 148 O GLN A 10 -1.490 -2.801 7.482 1.00 0.00 O ATOM 149 CB GLN A 10 -4.306 -2.424 8.758 1.00 0.00 C ATOM 150 CG GLN A 10 -4.423 -1.141 9.560 1.00 0.00 C ATOM 151 CD GLN A 10 -4.924 -1.370 10.974 1.00 0.00 C ATOM 152 OE1 GLN A 10 -5.661 -2.319 11.240 1.00 0.00 O ATOM 153 NE2 GLN A 10 -4.549 -0.487 11.885 1.00 0.00 N ATOM 0 H GLN A 10 -3.701 -4.214 6.866 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.343 -1.325 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.280 -2.911 8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.631 -3.109 9.271 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.449 -0.654 9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.100 -0.458 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.937 0.286 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.872 -0.579 12.848 1.00 0.00 H new ATOM 162 N ALA A 11 -1.969 -0.633 7.180 1.00 0.00 N ATOM 163 CA ALA A 11 -0.587 -0.221 7.026 1.00 0.00 C ATOM 164 C ALA A 11 0.204 -0.335 8.322 1.00 0.00 C ATOM 165 O ALA A 11 -0.248 0.066 9.399 1.00 0.00 O ATOM 166 CB ALA A 11 -0.545 1.199 6.517 1.00 0.00 C ATOM 0 H ALA A 11 -2.640 0.134 7.144 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.118 -0.894 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.492 1.513 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.052 1.255 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.045 1.856 7.229 1.00 0.00 H new ATOM 172 N LEU A 12 1.401 -0.876 8.181 1.00 0.00 N ATOM 173 CA LEU A 12 2.332 -1.052 9.281 1.00 0.00 C ATOM 174 C LEU A 12 3.131 0.217 9.534 1.00 0.00 C ATOM 175 O LEU A 12 3.481 0.527 10.672 1.00 0.00 O ATOM 176 CB LEU A 12 3.281 -2.198 8.938 1.00 0.00 C ATOM 177 CG LEU A 12 2.694 -3.589 9.130 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.292 -4.562 8.132 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.930 -4.065 10.557 1.00 0.00 C ATOM 0 H LEU A 12 1.759 -1.210 7.286 1.00 0.00 H new ATOM 0 HA LEU A 12 1.771 -1.280 10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.597 -2.092 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.176 -2.108 9.554 1.00 0.00 H new ATOM 0 HG LEU A 12 1.619 -3.543 8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.860 -5.551 8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.075 -4.224 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.372 -4.611 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.506 -5.061 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.001 -4.099 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.452 -3.376 11.254 1.00 0.00 H new ATOM 191 N TYR A 13 3.421 0.944 8.466 1.00 0.00 N ATOM 192 CA TYR A 13 4.262 2.131 8.555 1.00 0.00 C ATOM 193 C TYR A 13 3.712 3.244 7.674 1.00 0.00 C ATOM 194 O TYR A 13 2.855 3.005 6.823 1.00 0.00 O ATOM 195 CB TYR A 13 5.689 1.826 8.079 1.00 0.00 C ATOM 196 CG TYR A 13 6.306 0.549 8.609 1.00 0.00 C ATOM 197 CD1 TYR A 13 7.015 0.532 9.805 1.00 0.00 C ATOM 198 CD2 TYR A 13 6.211 -0.635 7.887 1.00 0.00 C ATOM 199 CE1 TYR A 13 7.605 -0.631 10.265 1.00 0.00 C ATOM 200 CE2 TYR A 13 6.804 -1.794 8.337 1.00 0.00 C ATOM 201 CZ TYR A 13 7.496 -1.791 9.524 1.00 0.00 C ATOM 202 OH TYR A 13 8.098 -2.948 9.960 1.00 0.00 O ATOM 0 H TYR A 13 3.087 0.734 7.526 1.00 0.00 H new ATOM 0 HA TYR A 13 4.271 2.441 9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.686 1.780 6.990 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.331 2.661 8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.106 1.440 10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.663 -0.646 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.148 -0.632 11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.725 -2.703 7.758 1.00 0.00 H new ATOM 0 HH TYR A 13 7.921 -3.670 9.321 1.00 0.00 H new ATOM 212 N SER A 14 4.214 4.450 7.877 1.00 0.00 N ATOM 213 CA SER A 14 3.938 5.549 6.972 1.00 0.00 C ATOM 214 C SER A 14 5.048 5.616 5.933 1.00 0.00 C ATOM 215 O SER A 14 6.197 5.917 6.260 1.00 0.00 O ATOM 216 CB SER A 14 3.855 6.870 7.729 1.00 0.00 C ATOM 217 OG SER A 14 2.902 6.802 8.774 1.00 0.00 O ATOM 0 H SER A 14 4.817 4.692 8.664 1.00 0.00 H new ATOM 0 HA SER A 14 2.977 5.380 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.833 7.118 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.587 7.671 7.040 1.00 0.00 H new ATOM 0 HG SER A 14 2.243 7.518 8.663 1.00 0.00 H new ATOM 223 N TYR A 15 4.710 5.327 4.694 1.00 0.00 N ATOM 224 CA TYR A 15 5.711 5.213 3.649 1.00 0.00 C ATOM 225 C TYR A 15 5.483 6.247 2.565 1.00 0.00 C ATOM 226 O TYR A 15 4.374 6.392 2.046 1.00 0.00 O ATOM 227 CB TYR A 15 5.686 3.808 3.043 1.00 0.00 C ATOM 228 CG TYR A 15 6.885 3.483 2.179 1.00 0.00 C ATOM 229 CD1 TYR A 15 8.107 3.154 2.753 1.00 0.00 C ATOM 230 CD2 TYR A 15 6.793 3.493 0.793 1.00 0.00 C ATOM 231 CE1 TYR A 15 9.203 2.847 1.972 1.00 0.00 C ATOM 232 CE2 TYR A 15 7.886 3.183 0.003 1.00 0.00 C ATOM 233 CZ TYR A 15 9.088 2.861 0.598 1.00 0.00 C ATOM 234 OH TYR A 15 10.181 2.546 -0.178 1.00 0.00 O ATOM 0 H TYR A 15 3.752 5.167 4.384 1.00 0.00 H new ATOM 0 HA TYR A 15 6.689 5.392 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.625 3.078 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.781 3.699 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.201 3.138 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.854 3.747 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.146 2.597 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.798 3.193 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 15 10.095 2.977 -1.054 1.00 0.00 H new ATOM 244 N ILE A 16 6.544 6.956 2.231 1.00 0.00 N ATOM 245 CA ILE A 16 6.505 7.948 1.178 1.00 0.00 C ATOM 246 C ILE A 16 6.855 7.302 -0.158 1.00 0.00 C ATOM 247 O ILE A 16 7.979 6.833 -0.354 1.00 0.00 O ATOM 248 CB ILE A 16 7.482 9.105 1.478 1.00 0.00 C ATOM 249 CG1 ILE A 16 7.073 9.821 2.769 1.00 0.00 C ATOM 250 CG2 ILE A 16 7.548 10.088 0.316 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.668 10.385 2.737 1.00 0.00 C ATOM 0 H ILE A 16 7.454 6.860 2.681 1.00 0.00 H new ATOM 0 HA ILE A 16 5.496 8.356 1.126 1.00 0.00 H new ATOM 0 HB ILE A 16 8.478 8.683 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.155 9.123 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.776 10.632 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.244 10.891 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.889 9.570 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.558 10.508 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.452 10.876 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.585 11.109 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.955 9.576 2.576 1.00 0.00 H new ATOM 263 N PRO A 17 5.880 7.249 -1.077 1.00 0.00 N ATOM 264 CA PRO A 17 6.056 6.642 -2.401 1.00 0.00 C ATOM 265 C PRO A 17 7.203 7.271 -3.175 1.00 0.00 C ATOM 266 O PRO A 17 7.510 8.455 -3.006 1.00 0.00 O ATOM 267 CB PRO A 17 4.731 6.930 -3.107 1.00 0.00 C ATOM 268 CG PRO A 17 3.752 7.125 -2.008 1.00 0.00 C ATOM 269 CD PRO A 17 4.519 7.776 -0.896 1.00 0.00 C ATOM 0 HA PRO A 17 6.298 5.582 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.802 7.818 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.440 6.103 -3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.921 7.752 -2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.328 6.173 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.494 8.863 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.112 7.515 0.081 1.00 0.00 H new ATOM 277 N GLN A 18 7.822 6.476 -4.024 1.00 0.00 N ATOM 278 CA GLN A 18 8.963 6.922 -4.802 1.00 0.00 C ATOM 279 C GLN A 18 8.494 7.409 -6.157 1.00 0.00 C ATOM 280 O GLN A 18 9.201 8.128 -6.862 1.00 0.00 O ATOM 281 CB GLN A 18 9.955 5.771 -4.949 1.00 0.00 C ATOM 282 CG GLN A 18 10.444 5.243 -3.610 1.00 0.00 C ATOM 283 CD GLN A 18 11.142 3.903 -3.714 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.088 3.097 -2.785 1.00 0.00 O ATOM 285 NE2 GLN A 18 11.803 3.652 -4.834 1.00 0.00 N ATOM 0 H GLN A 18 7.551 5.507 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 18 9.461 7.748 -4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.484 4.960 -5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.810 6.106 -5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.128 5.968 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.596 5.152 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.824 4.347 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.291 2.764 -4.950 1.00 0.00 H new ATOM 294 N ASN A 19 7.289 6.998 -6.510 1.00 0.00 N ATOM 295 CA ASN A 19 6.643 7.440 -7.731 1.00 0.00 C ATOM 296 C ASN A 19 5.256 7.978 -7.430 1.00 0.00 C ATOM 297 O ASN A 19 4.578 7.505 -6.519 1.00 0.00 O ATOM 298 CB ASN A 19 6.535 6.286 -8.728 1.00 0.00 C ATOM 299 CG ASN A 19 7.829 6.026 -9.477 1.00 0.00 C ATOM 300 OD1 ASN A 19 8.128 4.890 -9.842 1.00 0.00 O ATOM 301 ND2 ASN A 19 8.595 7.075 -9.731 1.00 0.00 N ATOM 0 H ASN A 19 6.731 6.348 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 19 7.250 8.233 -8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.241 5.381 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.744 6.506 -9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.467 6.957 -10.246 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.313 8.002 -9.412 1.00 0.00 H new ATOM 308 N ASP A 20 4.829 8.955 -8.217 1.00 0.00 N ATOM 309 CA ASP A 20 3.501 9.545 -8.071 1.00 0.00 C ATOM 310 C ASP A 20 2.435 8.655 -8.701 1.00 0.00 C ATOM 311 O ASP A 20 1.331 9.102 -9.003 1.00 0.00 O ATOM 312 CB ASP A 20 3.456 10.944 -8.692 1.00 0.00 C ATOM 313 CG ASP A 20 3.913 10.963 -10.137 1.00 0.00 C ATOM 314 OD1 ASP A 20 5.139 10.981 -10.374 1.00 0.00 O ATOM 315 OD2 ASP A 20 3.054 10.984 -11.041 1.00 0.00 O ATOM 0 H ASP A 20 5.386 9.360 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 20 3.291 9.631 -7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.438 11.330 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.086 11.616 -8.108 1.00 0.00 H new ATOM 320 N ASP A 21 2.783 7.392 -8.899 1.00 0.00 N ATOM 321 CA ASP A 21 1.850 6.395 -9.409 1.00 0.00 C ATOM 322 C ASP A 21 1.508 5.416 -8.291 1.00 0.00 C ATOM 323 O ASP A 21 0.638 4.557 -8.426 1.00 0.00 O ATOM 324 CB ASP A 21 2.477 5.651 -10.591 1.00 0.00 C ATOM 325 CG ASP A 21 1.479 4.800 -11.356 1.00 0.00 C ATOM 326 OD1 ASP A 21 0.713 5.363 -12.172 1.00 0.00 O ATOM 327 OD2 ASP A 21 1.467 3.567 -11.164 1.00 0.00 O ATOM 0 H ASP A 21 3.718 7.029 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 21 0.939 6.885 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.925 6.375 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.283 5.015 -10.226 1.00 0.00 H new ATOM 332 N GLU A 22 2.201 5.578 -7.175 1.00 0.00 N ATOM 333 CA GLU A 22 2.011 4.724 -6.011 1.00 0.00 C ATOM 334 C GLU A 22 1.001 5.326 -5.041 1.00 0.00 C ATOM 335 O GLU A 22 0.517 6.444 -5.235 1.00 0.00 O ATOM 336 CB GLU A 22 3.339 4.518 -5.283 1.00 0.00 C ATOM 337 CG GLU A 22 4.312 3.611 -6.014 1.00 0.00 C ATOM 338 CD GLU A 22 5.692 3.633 -5.387 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.384 4.664 -5.506 1.00 0.00 O ATOM 340 OE2 GLU A 22 6.088 2.628 -4.765 1.00 0.00 O ATOM 0 H GLU A 22 2.909 6.302 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 22 1.630 3.766 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.810 5.489 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.139 4.099 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.929 2.591 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.383 3.921 -7.057 1.00 0.00 H new ATOM 347 N LEU A 23 0.681 4.561 -4.010 1.00 0.00 N ATOM 348 CA LEU A 23 -0.239 4.992 -2.975 1.00 0.00 C ATOM 349 C LEU A 23 0.547 5.408 -1.738 1.00 0.00 C ATOM 350 O LEU A 23 1.495 4.727 -1.346 1.00 0.00 O ATOM 351 CB LEU A 23 -1.209 3.849 -2.632 1.00 0.00 C ATOM 352 CG LEU A 23 -2.551 4.278 -2.021 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.403 4.622 -0.552 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.111 5.466 -2.783 1.00 0.00 C ATOM 0 H LEU A 23 1.054 3.622 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.816 5.845 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.409 3.281 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.713 3.172 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.243 3.440 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.370 4.922 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.038 3.750 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.694 5.442 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.063 5.764 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.409 6.298 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.264 5.190 -3.826 1.00 0.00 H new ATOM 366 N GLU A 24 0.154 6.517 -1.127 1.00 0.00 N ATOM 367 CA GLU A 24 0.825 6.988 0.072 1.00 0.00 C ATOM 368 C GLU A 24 0.397 6.181 1.276 1.00 0.00 C ATOM 369 O GLU A 24 -0.764 6.214 1.681 1.00 0.00 O ATOM 370 CB GLU A 24 0.558 8.466 0.325 1.00 0.00 C ATOM 371 CG GLU A 24 1.646 9.356 -0.228 1.00 0.00 C ATOM 372 CD GLU A 24 1.526 10.786 0.242 1.00 0.00 C ATOM 373 OE1 GLU A 24 0.563 11.473 -0.153 1.00 0.00 O ATOM 374 OE2 GLU A 24 2.397 11.234 1.014 1.00 0.00 O ATOM 0 H GLU A 24 -0.620 7.102 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 24 1.895 6.858 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.396 8.741 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.465 8.636 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.618 8.961 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.611 9.332 -1.317 1.00 0.00 H new ATOM 381 N LEU A 25 1.345 5.467 1.845 1.00 0.00 N ATOM 382 CA LEU A 25 1.060 4.602 2.971 1.00 0.00 C ATOM 383 C LEU A 25 1.194 5.380 4.262 1.00 0.00 C ATOM 384 O LEU A 25 2.126 6.166 4.429 1.00 0.00 O ATOM 385 CB LEU A 25 1.996 3.395 2.974 1.00 0.00 C ATOM 386 CG LEU A 25 1.877 2.495 1.741 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.914 1.385 1.787 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.473 1.916 1.639 1.00 0.00 C ATOM 0 H LEU A 25 2.320 5.468 1.546 1.00 0.00 H new ATOM 0 HA LEU A 25 0.037 4.236 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.024 3.749 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.796 2.798 3.864 1.00 0.00 H new ATOM 0 HG LEU A 25 2.064 3.099 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.813 0.756 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.913 1.821 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.761 0.781 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.405 1.279 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.257 1.327 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.250 2.727 1.556 1.00 0.00 H new ATOM 400 N ARG A 26 0.262 5.177 5.165 1.00 0.00 N ATOM 401 CA ARG A 26 0.271 5.894 6.421 1.00 0.00 C ATOM 402 C ARG A 26 0.061 4.917 7.558 1.00 0.00 C ATOM 403 O ARG A 26 -0.751 4.003 7.457 1.00 0.00 O ATOM 404 CB ARG A 26 -0.834 6.945 6.400 1.00 0.00 C ATOM 405 CG ARG A 26 -0.689 8.053 7.424 1.00 0.00 C ATOM 406 CD ARG A 26 -1.689 9.160 7.139 1.00 0.00 C ATOM 407 NE ARG A 26 -1.500 10.329 7.993 1.00 0.00 N ATOM 408 CZ ARG A 26 -1.287 11.560 7.526 1.00 0.00 C ATOM 409 NH1 ARG A 26 -1.142 11.767 6.220 1.00 0.00 N ATOM 410 NH2 ARG A 26 -1.209 12.582 8.367 1.00 0.00 N ATOM 0 H ARG A 26 -0.512 4.522 5.054 1.00 0.00 H new ATOM 0 HA ARG A 26 1.230 6.392 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.869 7.392 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.790 6.447 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.850 7.656 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.325 8.452 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.603 9.461 6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.699 8.775 7.277 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.533 10.197 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.194 10.982 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.979 12.710 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.312 12.426 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.046 13.524 8.011 1.00 0.00 H new ATOM 424 N ASP A 27 0.785 5.127 8.635 1.00 0.00 N ATOM 425 CA ASP A 27 0.751 4.223 9.780 1.00 0.00 C ATOM 426 C ASP A 27 -0.649 4.132 10.368 1.00 0.00 C ATOM 427 O ASP A 27 -1.153 5.086 10.961 1.00 0.00 O ATOM 428 CB ASP A 27 1.748 4.673 10.848 1.00 0.00 C ATOM 429 CG ASP A 27 1.535 3.980 12.179 1.00 0.00 C ATOM 430 OD1 ASP A 27 1.858 2.781 12.295 1.00 0.00 O ATOM 431 OD2 ASP A 27 1.043 4.637 13.120 1.00 0.00 O ATOM 0 H ASP A 27 1.413 5.923 8.749 1.00 0.00 H new ATOM 0 HA ASP A 27 1.036 3.230 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.761 4.476 10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.663 5.751 10.987 1.00 0.00 H new ATOM 436 N GLY A 28 -1.278 2.983 10.171 1.00 0.00 N ATOM 437 CA GLY A 28 -2.602 2.760 10.704 1.00 0.00 C ATOM 438 C GLY A 28 -3.691 2.963 9.673 1.00 0.00 C ATOM 439 O GLY A 28 -4.867 2.731 9.952 1.00 0.00 O ATOM 0 H GLY A 28 -0.891 2.198 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.664 1.745 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.770 3.437 11.542 1.00 0.00 H new ATOM 443 N ASP A 29 -3.309 3.406 8.484 1.00 0.00 N ATOM 444 CA ASP A 29 -4.269 3.600 7.406 1.00 0.00 C ATOM 445 C ASP A 29 -4.548 2.268 6.727 1.00 0.00 C ATOM 446 O ASP A 29 -3.690 1.389 6.696 1.00 0.00 O ATOM 447 CB ASP A 29 -3.753 4.614 6.380 1.00 0.00 C ATOM 448 CG ASP A 29 -4.865 5.147 5.498 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.782 5.792 6.046 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.831 4.926 4.267 1.00 0.00 O ATOM 0 H ASP A 29 -2.346 3.637 8.241 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.191 3.994 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.274 5.444 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.991 4.144 5.758 1.00 0.00 H new ATOM 455 N ILE A 30 -5.751 2.111 6.211 1.00 0.00 N ATOM 456 CA ILE A 30 -6.144 0.871 5.565 1.00 0.00 C ATOM 457 C ILE A 30 -6.138 1.040 4.052 1.00 0.00 C ATOM 458 O ILE A 30 -6.521 2.083 3.534 1.00 0.00 O ATOM 459 CB ILE A 30 -7.541 0.401 6.049 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.469 -0.136 7.476 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.126 -0.661 5.137 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.417 0.935 8.541 1.00 0.00 C ATOM 0 H ILE A 30 -6.476 2.828 6.226 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.419 0.105 5.839 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.195 1.273 6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.337 -0.771 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.586 -0.769 7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.104 -0.963 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.231 -0.258 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.463 -1.526 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.367 0.468 9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.534 1.556 8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.312 1.554 8.478 1.00 0.00 H new ATOM 474 N VAL A 31 -5.683 0.020 3.352 1.00 0.00 N ATOM 475 CA VAL A 31 -5.672 0.040 1.900 1.00 0.00 C ATOM 476 C VAL A 31 -6.333 -1.202 1.329 1.00 0.00 C ATOM 477 O VAL A 31 -6.004 -2.331 1.693 1.00 0.00 O ATOM 478 CB VAL A 31 -4.243 0.184 1.329 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.209 -0.165 -0.153 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.740 1.602 1.530 1.00 0.00 C ATOM 0 H VAL A 31 -5.315 -0.837 3.765 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.244 0.917 1.598 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.595 -0.510 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.192 -0.055 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.538 -1.195 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.872 0.505 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.732 1.692 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.402 2.299 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.724 1.835 2.595 1.00 0.00 H new ATOM 490 N ASP A 32 -7.272 -0.970 0.435 1.00 0.00 N ATOM 491 CA ASP A 32 -7.973 -2.038 -0.251 1.00 0.00 C ATOM 492 C ASP A 32 -7.182 -2.458 -1.471 1.00 0.00 C ATOM 493 O ASP A 32 -7.003 -1.668 -2.387 1.00 0.00 O ATOM 494 CB ASP A 32 -9.338 -1.533 -0.699 1.00 0.00 C ATOM 495 CG ASP A 32 -10.132 -2.562 -1.472 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.894 -3.325 -0.849 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.019 -2.593 -2.713 1.00 0.00 O ATOM 0 H ASP A 32 -7.572 -0.034 0.162 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.091 -2.887 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.910 -1.226 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.204 -0.647 -1.319 1.00 0.00 H new ATOM 502 N VAL A 33 -6.704 -3.685 -1.482 1.00 0.00 N ATOM 503 CA VAL A 33 -5.943 -4.183 -2.613 1.00 0.00 C ATOM 504 C VAL A 33 -6.865 -4.876 -3.604 1.00 0.00 C ATOM 505 O VAL A 33 -7.598 -5.805 -3.256 1.00 0.00 O ATOM 506 CB VAL A 33 -4.800 -5.132 -2.172 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.292 -6.212 -1.226 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.110 -5.742 -3.381 1.00 0.00 C ATOM 0 H VAL A 33 -6.828 -4.356 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.478 -3.326 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.072 -4.533 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.458 -6.854 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.714 -5.750 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.058 -6.809 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.311 -6.405 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.834 -6.311 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.689 -4.948 -3.999 1.00 0.00 H new ATOM 518 N MET A 34 -6.825 -4.411 -4.843 1.00 0.00 N ATOM 519 CA MET A 34 -7.689 -4.942 -5.876 1.00 0.00 C ATOM 520 C MET A 34 -6.976 -6.026 -6.667 1.00 0.00 C ATOM 521 O MET A 34 -7.595 -7.017 -7.060 1.00 0.00 O ATOM 522 CB MET A 34 -8.232 -3.816 -6.781 1.00 0.00 C ATOM 523 CG MET A 34 -7.192 -2.994 -7.542 1.00 0.00 C ATOM 524 SD MET A 34 -6.392 -3.869 -8.904 1.00 0.00 S ATOM 525 CE MET A 34 -7.790 -4.548 -9.792 1.00 0.00 C ATOM 0 H MET A 34 -6.201 -3.666 -5.154 1.00 0.00 H new ATOM 0 HA MET A 34 -8.553 -5.405 -5.400 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.914 -4.260 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.820 -3.136 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.673 -2.099 -7.936 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.426 -2.663 -6.841 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.550 -4.612 -10.853 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.015 -5.544 -9.410 1.00 0.00 H new ATOM 0 HE3 MET A 34 -8.657 -3.902 -9.654 1.00 0.00 H new ATOM 535 N GLU A 35 -5.674 -5.863 -6.890 1.00 0.00 N ATOM 536 CA GLU A 35 -4.907 -6.907 -7.539 1.00 0.00 C ATOM 537 C GLU A 35 -3.564 -7.080 -6.858 1.00 0.00 C ATOM 538 O GLU A 35 -2.923 -6.111 -6.447 1.00 0.00 O ATOM 539 CB GLU A 35 -4.716 -6.618 -9.023 1.00 0.00 C ATOM 540 CG GLU A 35 -4.170 -7.809 -9.787 1.00 0.00 C ATOM 541 CD GLU A 35 -3.980 -7.524 -11.256 1.00 0.00 C ATOM 542 OE1 GLU A 35 -3.038 -6.788 -11.607 1.00 0.00 O ATOM 543 OE2 GLU A 35 -4.776 -8.036 -12.070 1.00 0.00 O ATOM 0 H GLU A 35 -5.142 -5.032 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.470 -7.836 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.671 -6.320 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.036 -5.774 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.216 -8.107 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.850 -8.653 -9.670 1.00 0.00 H new ATOM 550 N LYS A 36 -3.153 -8.325 -6.741 1.00 0.00 N ATOM 551 CA LYS A 36 -1.924 -8.668 -6.053 1.00 0.00 C ATOM 552 C LYS A 36 -0.857 -9.095 -7.047 1.00 0.00 C ATOM 553 O LYS A 36 -0.972 -10.137 -7.688 1.00 0.00 O ATOM 554 CB LYS A 36 -2.181 -9.778 -5.034 1.00 0.00 C ATOM 555 CG LYS A 36 -2.983 -9.315 -3.828 1.00 0.00 C ATOM 556 CD LYS A 36 -3.331 -10.469 -2.902 1.00 0.00 C ATOM 557 CE LYS A 36 -4.650 -11.129 -3.285 1.00 0.00 C ATOM 558 NZ LYS A 36 -4.605 -11.781 -4.623 1.00 0.00 N ATOM 0 H LYS A 36 -3.659 -9.126 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.565 -7.785 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.712 -10.594 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.226 -10.178 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.412 -8.567 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.900 -8.831 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.533 -11.211 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.392 -10.105 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.910 -11.873 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.441 -10.379 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.401 -12.445 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.674 -11.056 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.709 -12.299 -4.727 1.00 0.00 H new ATOM 572 N CYS A 37 0.166 -8.274 -7.187 1.00 0.00 N ATOM 573 CA CYS A 37 1.266 -8.583 -8.082 1.00 0.00 C ATOM 574 C CYS A 37 2.139 -9.676 -7.482 1.00 0.00 C ATOM 575 O CYS A 37 2.279 -9.778 -6.261 1.00 0.00 O ATOM 576 CB CYS A 37 2.095 -7.333 -8.332 1.00 0.00 C ATOM 577 SG CYS A 37 1.109 -5.873 -8.740 1.00 0.00 S ATOM 0 H CYS A 37 0.259 -7.387 -6.692 1.00 0.00 H new ATOM 0 HA CYS A 37 0.862 -8.938 -9.030 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.692 -7.121 -7.445 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.793 -7.528 -9.146 1.00 0.00 H new ATOM 0 HG CYS A 37 1.261 -4.974 -7.813 1.00 0.00 H new ATOM 583 N ASP A 38 2.737 -10.480 -8.347 1.00 0.00 N ATOM 584 CA ASP A 38 3.501 -11.642 -7.914 1.00 0.00 C ATOM 585 C ASP A 38 4.879 -11.250 -7.392 1.00 0.00 C ATOM 586 O ASP A 38 5.607 -12.091 -6.869 1.00 0.00 O ATOM 587 CB ASP A 38 3.643 -12.650 -9.060 1.00 0.00 C ATOM 588 CG ASP A 38 4.402 -12.092 -10.248 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.782 -11.397 -11.081 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.614 -12.352 -10.366 1.00 0.00 O ATOM 0 H ASP A 38 2.708 -10.349 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 38 2.951 -12.105 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.156 -13.539 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.651 -12.965 -9.385 1.00 0.00 H new ATOM 595 N ASP A 39 5.242 -9.978 -7.524 1.00 0.00 N ATOM 596 CA ASP A 39 6.537 -9.520 -7.034 1.00 0.00 C ATOM 597 C ASP A 39 6.413 -8.967 -5.611 1.00 0.00 C ATOM 598 O ASP A 39 7.414 -8.728 -4.935 1.00 0.00 O ATOM 599 CB ASP A 39 7.124 -8.465 -7.973 1.00 0.00 C ATOM 600 CG ASP A 39 8.600 -8.214 -7.724 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.435 -8.970 -8.264 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.936 -7.255 -7.002 1.00 0.00 O ATOM 0 H ASP A 39 4.668 -9.256 -7.959 1.00 0.00 H new ATOM 0 HA ASP A 39 7.215 -10.373 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.983 -8.785 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.575 -7.531 -7.851 1.00 0.00 H new ATOM 607 N GLY A 40 5.179 -8.788 -5.141 1.00 0.00 N ATOM 608 CA GLY A 40 4.975 -8.455 -3.742 1.00 0.00 C ATOM 609 C GLY A 40 4.370 -7.085 -3.522 1.00 0.00 C ATOM 610 O GLY A 40 3.798 -6.816 -2.466 1.00 0.00 O ATOM 0 H GLY A 40 4.327 -8.867 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.326 -9.205 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.932 -8.507 -3.223 1.00 0.00 H new ATOM 614 N TRP A 41 4.499 -6.207 -4.495 1.00 0.00 N ATOM 615 CA TRP A 41 3.930 -4.878 -4.371 1.00 0.00 C ATOM 616 C TRP A 41 2.556 -4.860 -5.031 1.00 0.00 C ATOM 617 O TRP A 41 2.430 -5.124 -6.225 1.00 0.00 O ATOM 618 CB TRP A 41 4.854 -3.835 -5.000 1.00 0.00 C ATOM 619 CG TRP A 41 6.315 -4.180 -4.898 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.172 -4.347 -5.946 1.00 0.00 C ATOM 621 CD2 TRP A 41 7.090 -4.418 -3.706 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.425 -4.663 -5.491 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.403 -4.717 -4.123 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.811 -4.416 -2.330 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.428 -5.000 -3.222 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.832 -4.695 -1.441 1.00 0.00 C ATOM 627 CH2 TRP A 41 9.123 -4.985 -1.890 1.00 0.00 C ATOM 0 H TRP A 41 4.987 -6.385 -5.373 1.00 0.00 H new ATOM 0 HA TRP A 41 3.822 -4.626 -3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.591 -3.716 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.683 -2.873 -4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.901 -4.245 -6.986 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.243 -4.831 -6.077 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.815 -4.200 -1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.428 -5.223 -3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.628 -4.689 -0.380 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.897 -5.202 -1.169 1.00 0.00 H new ATOM 638 N PHE A 42 1.534 -4.550 -4.252 1.00 0.00 N ATOM 639 CA PHE A 42 0.151 -4.769 -4.659 1.00 0.00 C ATOM 640 C PHE A 42 -0.506 -3.482 -5.143 1.00 0.00 C ATOM 641 O PHE A 42 0.027 -2.393 -4.956 1.00 0.00 O ATOM 642 CB PHE A 42 -0.640 -5.350 -3.489 1.00 0.00 C ATOM 643 CG PHE A 42 -0.019 -6.582 -2.895 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.381 -7.632 -3.704 1.00 0.00 C ATOM 645 CD2 PHE A 42 0.161 -6.692 -1.526 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.953 -8.766 -3.160 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.732 -7.824 -0.975 1.00 0.00 C ATOM 648 CZ PHE A 42 1.127 -8.862 -1.794 1.00 0.00 C ATOM 0 H PHE A 42 1.635 -4.141 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 42 0.152 -5.472 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.734 -4.591 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.649 -5.588 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.244 -7.564 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.149 -5.883 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.264 -9.576 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.869 -7.896 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.572 -9.749 -1.367 1.00 0.00 H new ATOM 658 N VAL A 43 -1.661 -3.616 -5.782 1.00 0.00 N ATOM 659 CA VAL A 43 -2.403 -2.465 -6.274 1.00 0.00 C ATOM 660 C VAL A 43 -3.681 -2.277 -5.482 1.00 0.00 C ATOM 661 O VAL A 43 -4.443 -3.223 -5.291 1.00 0.00 O ATOM 662 CB VAL A 43 -2.739 -2.607 -7.773 1.00 0.00 C ATOM 663 CG1 VAL A 43 -3.986 -1.819 -8.144 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.582 -2.097 -8.584 1.00 0.00 C ATOM 0 H VAL A 43 -2.105 -4.515 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.767 -1.589 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.926 -3.660 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.192 -1.943 -9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.834 -2.186 -7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.827 -0.763 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.811 -2.194 -9.645 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.404 -1.048 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.690 -2.678 -8.351 1.00 0.00 H new ATOM 674 N GLY A 44 -3.925 -1.055 -5.036 1.00 0.00 N ATOM 675 CA GLY A 44 -5.108 -0.798 -4.249 1.00 0.00 C ATOM 676 C GLY A 44 -5.380 0.671 -4.013 1.00 0.00 C ATOM 677 O GLY A 44 -4.828 1.539 -4.690 1.00 0.00 O ATOM 0 H GLY A 44 -3.330 -0.244 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.969 -1.241 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.007 -1.298 -3.286 1.00 0.00 H new ATOM 681 N THR A 45 -6.245 0.934 -3.045 1.00 0.00 N ATOM 682 CA THR A 45 -6.758 2.260 -2.794 1.00 0.00 C ATOM 683 C THR A 45 -6.720 2.583 -1.304 1.00 0.00 C ATOM 684 O THR A 45 -6.967 1.714 -0.466 1.00 0.00 O ATOM 685 CB THR A 45 -8.200 2.354 -3.316 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.209 2.094 -4.722 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.822 3.713 -3.052 1.00 0.00 C ATOM 0 H THR A 45 -6.610 0.224 -2.410 1.00 0.00 H new ATOM 0 HA THR A 45 -6.131 2.984 -3.314 1.00 0.00 H new ATOM 0 HB THR A 45 -8.794 1.612 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.127 2.151 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.841 3.728 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.839 3.903 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.233 4.485 -3.548 1.00 0.00 H new ATOM 695 N SER A 46 -6.414 3.830 -0.989 1.00 0.00 N ATOM 696 CA SER A 46 -6.383 4.285 0.391 1.00 0.00 C ATOM 697 C SER A 46 -7.806 4.379 0.935 1.00 0.00 C ATOM 698 O SER A 46 -8.688 4.912 0.273 1.00 0.00 O ATOM 699 CB SER A 46 -5.706 5.653 0.477 1.00 0.00 C ATOM 700 OG SER A 46 -5.749 6.170 1.798 1.00 0.00 O ATOM 0 H SER A 46 -6.182 4.549 -1.674 1.00 0.00 H new ATOM 0 HA SER A 46 -5.816 3.570 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.669 5.569 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.198 6.348 -0.203 1.00 0.00 H new ATOM 0 HG SER A 46 -5.351 5.522 2.416 1.00 0.00 H new ATOM 706 N ARG A 47 -8.022 3.846 2.126 1.00 0.00 N ATOM 707 CA ARG A 47 -9.337 3.870 2.764 1.00 0.00 C ATOM 708 C ARG A 47 -9.702 5.281 3.223 1.00 0.00 C ATOM 709 O ARG A 47 -10.879 5.630 3.314 1.00 0.00 O ATOM 710 CB ARG A 47 -9.341 2.924 3.966 1.00 0.00 C ATOM 711 CG ARG A 47 -10.655 2.873 4.721 1.00 0.00 C ATOM 712 CD ARG A 47 -10.449 2.309 6.114 1.00 0.00 C ATOM 713 NE ARG A 47 -11.681 2.300 6.899 1.00 0.00 N ATOM 714 CZ ARG A 47 -11.711 2.263 8.230 1.00 0.00 C ATOM 715 NH1 ARG A 47 -10.577 2.283 8.917 1.00 0.00 N ATOM 716 NH2 ARG A 47 -12.872 2.206 8.869 1.00 0.00 N ATOM 0 H ARG A 47 -7.299 3.386 2.679 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.077 3.545 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.095 1.919 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.552 3.228 4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.081 3.874 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.370 2.257 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.062 1.293 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.694 2.899 6.634 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.570 2.323 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.684 2.327 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.598 2.255 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.745 2.190 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.892 2.178 9.888 1.00 0.00 H new ATOM 730 N ARG A 48 -8.689 6.087 3.513 1.00 0.00 N ATOM 731 CA ARG A 48 -8.907 7.407 4.092 1.00 0.00 C ATOM 732 C ARG A 48 -9.155 8.455 3.019 1.00 0.00 C ATOM 733 O ARG A 48 -10.119 9.216 3.087 1.00 0.00 O ATOM 734 CB ARG A 48 -7.689 7.815 4.914 1.00 0.00 C ATOM 735 CG ARG A 48 -7.941 8.960 5.865 1.00 0.00 C ATOM 736 CD ARG A 48 -6.669 9.316 6.596 1.00 0.00 C ATOM 737 NE ARG A 48 -6.085 8.152 7.259 1.00 0.00 N ATOM 738 CZ ARG A 48 -5.663 8.136 8.520 1.00 0.00 C ATOM 739 NH1 ARG A 48 -5.835 9.198 9.304 1.00 0.00 N ATOM 740 NH2 ARG A 48 -5.094 7.045 9.005 1.00 0.00 N ATOM 0 H ARG A 48 -7.709 5.851 3.357 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.791 7.349 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.344 6.953 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.882 8.092 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.308 9.826 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.716 8.685 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.949 9.734 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.878 10.090 7.335 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.995 7.293 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.294 10.033 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.508 9.177 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.981 6.222 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.768 7.026 9.971 1.00 0.00 H new ATOM 754 N THR A 49 -8.283 8.489 2.029 1.00 0.00 N ATOM 755 CA THR A 49 -8.349 9.518 1.006 1.00 0.00 C ATOM 756 C THR A 49 -8.865 8.960 -0.320 1.00 0.00 C ATOM 757 O THR A 49 -9.201 9.708 -1.237 1.00 0.00 O ATOM 758 CB THR A 49 -6.968 10.200 0.834 1.00 0.00 C ATOM 759 OG1 THR A 49 -6.918 10.986 -0.364 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.848 9.176 0.840 1.00 0.00 C ATOM 0 H THR A 49 -7.523 7.819 1.911 1.00 0.00 H new ATOM 0 HA THR A 49 -9.063 10.274 1.333 1.00 0.00 H new ATOM 0 HB THR A 49 -6.829 10.868 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.688 10.768 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.891 9.683 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.854 8.636 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.994 8.473 0.020 1.00 0.00 H new ATOM 768 N LYS A 50 -8.951 7.632 -0.390 1.00 0.00 N ATOM 769 CA LYS A 50 -9.549 6.927 -1.527 1.00 0.00 C ATOM 770 C LYS A 50 -8.778 7.160 -2.823 1.00 0.00 C ATOM 771 O LYS A 50 -9.374 7.285 -3.889 1.00 0.00 O ATOM 772 CB LYS A 50 -11.023 7.313 -1.712 1.00 0.00 C ATOM 773 CG LYS A 50 -11.888 7.136 -0.462 1.00 0.00 C ATOM 774 CD LYS A 50 -11.665 5.795 0.231 1.00 0.00 C ATOM 775 CE LYS A 50 -11.808 4.617 -0.718 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.167 4.534 -1.315 1.00 0.00 N ATOM 0 H LYS A 50 -8.607 7.011 0.342 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.493 5.864 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.075 8.354 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.444 6.712 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.672 7.942 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.939 7.226 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.670 5.781 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.380 5.688 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.069 4.703 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.592 3.693 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.232 3.687 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.876 4.476 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.345 5.381 -1.892 1.00 0.00 H new ATOM 790 N GLN A 51 -7.455 7.199 -2.735 1.00 0.00 N ATOM 791 CA GLN A 51 -6.627 7.306 -3.929 1.00 0.00 C ATOM 792 C GLN A 51 -6.180 5.921 -4.371 1.00 0.00 C ATOM 793 O GLN A 51 -6.028 5.025 -3.545 1.00 0.00 O ATOM 794 CB GLN A 51 -5.422 8.230 -3.709 1.00 0.00 C ATOM 795 CG GLN A 51 -4.882 8.257 -2.292 1.00 0.00 C ATOM 796 CD GLN A 51 -3.663 9.156 -2.144 1.00 0.00 C ATOM 797 OE1 GLN A 51 -3.421 9.722 -1.079 1.00 0.00 O ATOM 798 NE2 GLN A 51 -2.891 9.302 -3.212 1.00 0.00 N ATOM 0 H GLN A 51 -6.936 7.159 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.228 7.755 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.621 7.922 -4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.705 9.244 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.665 8.600 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.620 7.244 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.123 8.817 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.065 9.899 -3.167 1.00 0.00 H new ATOM 807 N PHE A 52 -5.982 5.755 -5.668 1.00 0.00 N ATOM 808 CA PHE A 52 -5.710 4.449 -6.254 1.00 0.00 C ATOM 809 C PHE A 52 -4.327 4.400 -6.899 1.00 0.00 C ATOM 810 O PHE A 52 -3.878 5.370 -7.509 1.00 0.00 O ATOM 811 CB PHE A 52 -6.802 4.129 -7.286 1.00 0.00 C ATOM 812 CG PHE A 52 -6.510 2.952 -8.176 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.465 1.664 -7.667 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.286 3.140 -9.532 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.203 0.589 -8.491 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.023 2.067 -10.360 1.00 0.00 C ATOM 817 CZ PHE A 52 -5.982 0.789 -9.840 1.00 0.00 C ATOM 0 H PHE A 52 -6.005 6.518 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.719 3.699 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.737 3.943 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.959 5.008 -7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.637 1.500 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.318 4.137 -9.945 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.171 -0.410 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.849 2.227 -11.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.778 -0.052 -10.486 1.00 0.00 H new ATOM 827 N GLY A 53 -3.659 3.266 -6.740 1.00 0.00 N ATOM 828 CA GLY A 53 -2.378 3.044 -7.380 1.00 0.00 C ATOM 829 C GLY A 53 -1.728 1.780 -6.882 1.00 0.00 C ATOM 830 O GLY A 53 -2.410 0.843 -6.463 1.00 0.00 O ATOM 0 H GLY A 53 -3.987 2.486 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.514 2.984 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.722 3.893 -7.188 1.00 0.00 H new ATOM 834 N THR A 54 -0.413 1.768 -6.900 1.00 0.00 N ATOM 835 CA THR A 54 0.352 0.632 -6.430 1.00 0.00 C ATOM 836 C THR A 54 0.983 0.949 -5.083 1.00 0.00 C ATOM 837 O THR A 54 1.385 2.079 -4.825 1.00 0.00 O ATOM 838 CB THR A 54 1.449 0.247 -7.446 1.00 0.00 C ATOM 839 OG1 THR A 54 2.372 -0.688 -6.873 1.00 0.00 O ATOM 840 CG2 THR A 54 2.192 1.482 -7.940 1.00 0.00 C ATOM 0 H THR A 54 0.156 2.543 -7.240 1.00 0.00 H new ATOM 0 HA THR A 54 -0.327 -0.214 -6.320 1.00 0.00 H new ATOM 0 HB THR A 54 0.960 -0.226 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.057 -0.919 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.959 1.184 -8.654 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.489 2.160 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.660 1.987 -7.095 1.00 0.00 H new ATOM 848 N PHE A 55 1.047 -0.038 -4.219 1.00 0.00 N ATOM 849 CA PHE A 55 1.626 0.142 -2.907 1.00 0.00 C ATOM 850 C PHE A 55 2.396 -1.106 -2.506 1.00 0.00 C ATOM 851 O PHE A 55 1.940 -2.231 -2.714 1.00 0.00 O ATOM 852 CB PHE A 55 0.539 0.464 -1.871 1.00 0.00 C ATOM 853 CG PHE A 55 -0.395 -0.682 -1.587 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.373 -1.034 -2.497 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.285 -1.409 -0.412 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.224 -2.093 -2.245 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.134 -2.465 -0.154 1.00 0.00 C ATOM 858 CZ PHE A 55 -2.105 -2.809 -1.073 1.00 0.00 C ATOM 0 H PHE A 55 0.703 -0.980 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 55 2.316 0.985 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.018 0.769 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.043 1.315 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.474 -0.475 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.474 -1.146 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.982 -2.360 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.039 -3.022 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.770 -3.637 -0.874 1.00 0.00 H new ATOM 868 N PRO A 56 3.591 -0.919 -1.955 1.00 0.00 N ATOM 869 CA PRO A 56 4.416 -2.022 -1.481 1.00 0.00 C ATOM 870 C PRO A 56 3.712 -2.814 -0.383 1.00 0.00 C ATOM 871 O PRO A 56 3.529 -2.320 0.732 1.00 0.00 O ATOM 872 CB PRO A 56 5.672 -1.336 -0.938 1.00 0.00 C ATOM 873 CG PRO A 56 5.675 0.021 -1.554 1.00 0.00 C ATOM 874 CD PRO A 56 4.235 0.385 -1.767 1.00 0.00 C ATOM 0 HA PRO A 56 4.634 -2.744 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.647 -1.274 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.571 -1.892 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.167 0.743 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.220 0.019 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.823 0.919 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.106 1.029 -2.637 1.00 0.00 H new ATOM 882 N GLY A 57 3.330 -4.053 -0.701 1.00 0.00 N ATOM 883 CA GLY A 57 2.609 -4.896 0.245 1.00 0.00 C ATOM 884 C GLY A 57 3.469 -5.316 1.423 1.00 0.00 C ATOM 885 O GLY A 57 3.046 -6.096 2.273 1.00 0.00 O ATOM 0 H GLY A 57 3.509 -4.491 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.734 -4.359 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.245 -5.785 -0.270 1.00 0.00 H new ATOM 889 N ASN A 58 4.680 -4.789 1.461 1.00 0.00 N ATOM 890 CA ASN A 58 5.634 -5.082 2.513 1.00 0.00 C ATOM 891 C ASN A 58 5.274 -4.319 3.787 1.00 0.00 C ATOM 892 O ASN A 58 5.599 -4.744 4.895 1.00 0.00 O ATOM 893 CB ASN A 58 7.032 -4.679 2.035 1.00 0.00 C ATOM 894 CG ASN A 58 8.142 -5.214 2.924 1.00 0.00 C ATOM 895 OD1 ASN A 58 8.535 -4.574 3.898 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.670 -6.378 2.579 1.00 0.00 N ATOM 0 H ASN A 58 5.031 -4.140 0.756 1.00 0.00 H new ATOM 0 HA ASN A 58 5.613 -6.148 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.181 -5.043 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.097 -3.592 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.432 -6.775 3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.315 -6.877 1.764 1.00 0.00 H new ATOM 903 N TYR A 59 4.568 -3.203 3.618 1.00 0.00 N ATOM 904 CA TYR A 59 4.298 -2.290 4.727 1.00 0.00 C ATOM 905 C TYR A 59 2.839 -2.332 5.154 1.00 0.00 C ATOM 906 O TYR A 59 2.332 -1.375 5.737 1.00 0.00 O ATOM 907 CB TYR A 59 4.659 -0.859 4.331 1.00 0.00 C ATOM 908 CG TYR A 59 6.038 -0.726 3.732 1.00 0.00 C ATOM 909 CD1 TYR A 59 7.180 -0.927 4.497 1.00 0.00 C ATOM 910 CD2 TYR A 59 6.193 -0.412 2.393 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.439 -0.815 3.938 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.444 -0.302 1.826 1.00 0.00 C ATOM 913 CZ TYR A 59 8.564 -0.504 2.601 1.00 0.00 C ATOM 914 OH TYR A 59 9.816 -0.395 2.038 1.00 0.00 O ATOM 0 H TYR A 59 4.173 -2.909 2.725 1.00 0.00 H new ATOM 0 HA TYR A 59 4.912 -2.614 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.924 -0.493 3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.591 -0.220 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.083 -1.174 5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.318 -0.250 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.319 -0.970 4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.546 -0.059 0.779 1.00 0.00 H new ATOM 0 HH TYR A 59 10.004 0.546 1.839 1.00 0.00 H new ATOM 924 N VAL A 60 2.167 -3.437 4.876 1.00 0.00 N ATOM 925 CA VAL A 60 0.756 -3.586 5.208 1.00 0.00 C ATOM 926 C VAL A 60 0.485 -5.020 5.652 1.00 0.00 C ATOM 927 O VAL A 60 1.237 -5.933 5.309 1.00 0.00 O ATOM 928 CB VAL A 60 -0.169 -3.219 4.018 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.061 -1.736 3.681 1.00 0.00 C ATOM 930 CG2 VAL A 60 0.167 -4.059 2.800 1.00 0.00 C ATOM 0 H VAL A 60 2.578 -4.251 4.418 1.00 0.00 H new ATOM 0 HA VAL A 60 0.532 -2.893 6.019 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.196 -3.430 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.719 -1.504 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.354 -1.144 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.968 -1.498 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.493 -3.786 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.202 -3.881 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.033 -5.114 3.038 1.00 0.00 H new ATOM 940 N LYS A 61 -0.573 -5.212 6.419 1.00 0.00 N ATOM 941 CA LYS A 61 -0.906 -6.532 6.947 1.00 0.00 C ATOM 942 C LYS A 61 -2.330 -6.932 6.587 1.00 0.00 C ATOM 943 O LYS A 61 -3.245 -6.110 6.628 1.00 0.00 O ATOM 944 CB LYS A 61 -0.711 -6.584 8.466 1.00 0.00 C ATOM 945 CG LYS A 61 -0.905 -5.253 9.173 1.00 0.00 C ATOM 946 CD LYS A 61 -0.819 -5.405 10.682 1.00 0.00 C ATOM 947 CE LYS A 61 0.359 -6.274 11.100 1.00 0.00 C ATOM 948 NZ LYS A 61 0.460 -6.405 12.577 1.00 0.00 N ATOM 0 H LYS A 61 -1.220 -4.473 6.693 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.224 -7.246 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.410 -7.308 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.293 -6.951 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.148 -4.546 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.875 -4.835 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.725 -4.421 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.744 -5.844 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.255 -7.264 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.282 -5.845 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.275 -7.004 12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.585 -5.464 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.410 -6.839 12.947 1.00 0.00 H new ATOM 962 N PRO A 62 -2.517 -8.212 6.223 1.00 0.00 N ATOM 963 CA PRO A 62 -3.812 -8.746 5.785 1.00 0.00 C ATOM 964 C PRO A 62 -4.886 -8.668 6.860 1.00 0.00 C ATOM 965 O PRO A 62 -4.699 -9.144 7.983 1.00 0.00 O ATOM 966 CB PRO A 62 -3.510 -10.210 5.440 1.00 0.00 C ATOM 967 CG PRO A 62 -2.032 -10.278 5.277 1.00 0.00 C ATOM 968 CD PRO A 62 -1.471 -9.248 6.208 1.00 0.00 C ATOM 0 HA PRO A 62 -4.211 -8.169 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.850 -10.879 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.021 -10.512 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.657 -11.272 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.742 -10.073 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.293 -9.657 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.519 -8.856 5.850 1.00 0.00 H new ATOM 976 N LEU A 63 -6.006 -8.056 6.502 1.00 0.00 N ATOM 977 CA LEU A 63 -7.161 -7.981 7.378 1.00 0.00 C ATOM 978 C LEU A 63 -8.111 -9.133 7.076 1.00 0.00 C ATOM 979 O LEU A 63 -7.743 -10.090 6.393 1.00 0.00 O ATOM 980 CB LEU A 63 -7.870 -6.640 7.194 1.00 0.00 C ATOM 981 CG LEU A 63 -7.040 -5.411 7.553 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.785 -4.152 7.153 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.723 -5.397 9.040 1.00 0.00 C ATOM 0 H LEU A 63 -6.137 -7.600 5.599 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.833 -8.059 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.186 -6.554 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.774 -6.639 7.803 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.097 -5.450 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.187 -3.278 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.966 -4.162 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.738 -4.110 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.131 -4.513 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.652 -5.375 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.159 -6.293 9.300 1.00 0.00 H new ATOM 995 N TYR A 64 -9.331 -9.033 7.571 1.00 0.00 N ATOM 996 CA TYR A 64 -10.294 -10.116 7.440 1.00 0.00 C ATOM 997 C TYR A 64 -11.537 -9.667 6.694 1.00 0.00 C ATOM 998 O TYR A 64 -11.971 -8.519 6.808 1.00 0.00 O ATOM 999 CB TYR A 64 -10.679 -10.682 8.812 1.00 0.00 C ATOM 1000 CG TYR A 64 -10.925 -9.628 9.874 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -12.181 -9.056 10.043 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -9.896 -9.204 10.706 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -12.402 -8.092 11.010 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -10.109 -8.242 11.673 1.00 0.00 C ATOM 1005 CZ TYR A 64 -11.363 -7.689 11.821 1.00 0.00 C ATOM 1006 OH TYR A 64 -11.575 -6.725 12.782 1.00 0.00 O ATOM 0 H TYR A 64 -9.681 -8.214 8.068 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.814 -10.905 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.578 -11.288 8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.886 -11.347 9.153 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.997 -9.369 9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.912 -9.635 10.594 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -13.384 -7.657 11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.297 -7.924 12.310 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.740 -6.557 13.267 1.00 0.00 H new ATOM 1016 N LEU A 65 -12.099 -10.592 5.939 1.00 0.00 N ATOM 1017 CA LEU A 65 -13.301 -10.339 5.161 1.00 0.00 C ATOM 1018 C LEU A 65 -14.367 -11.368 5.517 1.00 0.00 C ATOM 1019 O LEU A 65 -15.312 -11.013 6.253 1.00 0.00 O ATOM 1020 CB LEU A 65 -13.012 -10.342 3.642 1.00 0.00 C ATOM 1021 CG LEU A 65 -12.178 -11.512 3.100 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -12.459 -11.713 1.620 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -10.690 -11.262 3.312 1.00 0.00 C ATOM 1024 OXT LEU A 65 -14.233 -12.541 5.107 1.00 0.00 O ATOM 0 H LEU A 65 -11.736 -11.541 5.847 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.668 -9.344 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.966 -10.331 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.499 -9.414 3.392 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.460 -12.412 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.862 -12.545 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.517 -11.932 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.199 -10.806 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.120 -12.104 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.396 -10.351 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.488 -11.151 4.377 1.00 0.00 H new TER 1036 LEU A 65