USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.0078) USER MOD Single : A 9 THR OG1 : rot -67:sc= 0.963 USER MOD Single : A 11 SER OG : rot -71:sc= 0.533 USER MOD Single : A 15 SER OG : rot 81:sc= 1.2 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.982 K(o=0.98,f=-0.03) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -100:sc= 1.31 (180deg=-0.049) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.361 K(o=-0.36,f=-6.3!) USER MOD Single : A 43 THR OG1 : rot 170:sc= 0.804 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.861 F(o=-2.3!,f=-0.86) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.206 -12.603 -1.055 1.00 0.00 N ATOM 9 CA SER A 2 -1.840 -12.173 -0.748 1.00 0.00 C ATOM 10 C SER A 2 -1.816 -10.709 -0.295 1.00 0.00 C ATOM 11 O SER A 2 -0.874 -10.253 0.358 1.00 0.00 O ATOM 12 CB SER A 2 -1.034 -12.280 -2.051 1.00 0.00 C ATOM 13 OG SER A 2 0.338 -12.559 -1.856 1.00 0.00 O ATOM 0 HA SER A 2 -1.430 -12.792 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.469 -13.063 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.129 -11.345 -2.603 1.00 0.00 H new ATOM 0 HG SER A 2 0.787 -12.615 -2.725 1.00 0.00 H new ATOM 19 N GLU A 3 -2.828 -9.963 -0.727 1.00 0.00 N ATOM 20 CA GLU A 3 -2.895 -8.526 -0.698 1.00 0.00 C ATOM 21 C GLU A 3 -3.335 -8.067 0.694 1.00 0.00 C ATOM 22 O GLU A 3 -2.690 -7.211 1.291 1.00 0.00 O ATOM 23 CB GLU A 3 -3.871 -8.044 -1.788 1.00 0.00 C ATOM 24 CG GLU A 3 -3.682 -8.618 -3.210 1.00 0.00 C ATOM 25 CD GLU A 3 -4.317 -9.980 -3.520 1.00 0.00 C ATOM 26 OE1 GLU A 3 -4.697 -10.726 -2.587 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.319 -10.330 -4.722 1.00 0.00 O ATOM 0 H GLU A 3 -3.667 -10.381 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.915 -8.094 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.884 -8.278 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.799 -6.958 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.080 -7.893 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.612 -8.696 -3.401 1.00 0.00 H new ATOM 34 N GLU A 4 -4.389 -8.686 1.234 1.00 0.00 N ATOM 35 CA GLU A 4 -4.878 -8.460 2.596 1.00 0.00 C ATOM 36 C GLU A 4 -3.740 -8.735 3.576 1.00 0.00 C ATOM 37 O GLU A 4 -3.481 -7.961 4.496 1.00 0.00 O ATOM 38 CB GLU A 4 -6.042 -9.418 2.903 1.00 0.00 C ATOM 39 CG GLU A 4 -7.220 -9.315 1.929 1.00 0.00 C ATOM 40 CD GLU A 4 -8.148 -10.509 2.122 1.00 0.00 C ATOM 41 OE1 GLU A 4 -9.029 -10.509 3.007 1.00 0.00 O ATOM 42 OE2 GLU A 4 -7.927 -11.525 1.428 1.00 0.00 O ATOM 0 H GLU A 4 -4.939 -9.376 0.722 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.225 -7.431 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.667 -10.441 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.403 -9.220 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.765 -8.387 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.855 -9.287 0.902 1.00 0.00 H new ATOM 49 N HIS A 5 -3.009 -9.824 3.325 1.00 0.00 N ATOM 50 CA HIS A 5 -1.871 -10.208 4.140 1.00 0.00 C ATOM 51 C HIS A 5 -0.802 -9.111 4.083 1.00 0.00 C ATOM 52 O HIS A 5 -0.172 -8.823 5.102 1.00 0.00 O ATOM 53 CB HIS A 5 -1.359 -11.578 3.669 1.00 0.00 C ATOM 54 CG HIS A 5 -0.123 -12.107 4.374 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.658 -13.140 3.917 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.427 -11.679 5.556 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.653 -13.322 4.801 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.590 -12.423 5.796 1.00 0.00 N ATOM 0 H HIS A 5 -3.196 -10.459 2.549 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.156 -10.311 5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.162 -12.305 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.145 -11.516 2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.031 -10.902 6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.406 -14.092 4.722 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.250 -12.306 6.565 1.00 0.00 H new ATOM 66 N PHE A 6 -0.589 -8.459 2.937 1.00 0.00 N ATOM 67 CA PHE A 6 0.360 -7.363 2.867 1.00 0.00 C ATOM 68 C PHE A 6 -0.085 -6.189 3.741 1.00 0.00 C ATOM 69 O PHE A 6 0.723 -5.638 4.491 1.00 0.00 O ATOM 70 CB PHE A 6 0.613 -6.918 1.425 1.00 0.00 C ATOM 71 CG PHE A 6 1.828 -6.022 1.224 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.918 -6.039 2.117 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.891 -5.189 0.094 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.068 -5.281 1.854 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.062 -4.462 -0.188 1.00 0.00 C ATOM 76 CZ PHE A 6 4.150 -4.501 0.693 1.00 0.00 C ATOM 0 H PHE A 6 -1.059 -8.674 2.058 1.00 0.00 H new ATOM 0 HA PHE A 6 1.308 -7.732 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.730 -7.806 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.270 -6.391 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.867 -6.641 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.036 -5.106 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.894 -5.299 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.122 -3.870 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.044 -3.935 0.479 1.00 0.00 H new ATOM 86 N VAL A 7 -1.364 -5.816 3.662 1.00 0.00 N ATOM 87 CA VAL A 7 -1.926 -4.744 4.474 1.00 0.00 C ATOM 88 C VAL A 7 -1.753 -5.067 5.954 1.00 0.00 C ATOM 89 O VAL A 7 -1.420 -4.180 6.742 1.00 0.00 O ATOM 90 CB VAL A 7 -3.395 -4.485 4.068 1.00 0.00 C ATOM 91 CG1 VAL A 7 -4.091 -3.445 4.955 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.448 -3.988 2.618 1.00 0.00 C ATOM 0 H VAL A 7 -2.037 -6.252 3.031 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.388 -3.814 4.294 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.920 -5.433 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.119 -3.309 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.091 -3.790 5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.559 -2.496 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.484 -3.806 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.879 -3.062 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.018 -4.742 1.959 1.00 0.00 H new ATOM 102 N GLU A 8 -1.914 -6.329 6.337 1.00 0.00 N ATOM 103 CA GLU A 8 -1.678 -6.766 7.698 1.00 0.00 C ATOM 104 C GLU A 8 -0.199 -6.636 8.051 1.00 0.00 C ATOM 105 O GLU A 8 0.113 -6.011 9.059 1.00 0.00 O ATOM 106 CB GLU A 8 -2.179 -8.204 7.859 1.00 0.00 C ATOM 107 CG GLU A 8 -2.244 -8.638 9.325 1.00 0.00 C ATOM 108 CD GLU A 8 -3.522 -8.177 10.024 1.00 0.00 C ATOM 109 OE1 GLU A 8 -3.784 -6.957 10.099 1.00 0.00 O ATOM 110 OE2 GLU A 8 -4.279 -9.060 10.495 1.00 0.00 O ATOM 0 H GLU A 8 -2.212 -7.074 5.708 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.229 -6.131 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.169 -8.293 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.521 -8.879 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.177 -9.725 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.380 -8.238 9.856 1.00 0.00 H new ATOM 117 N THR A 9 0.720 -7.187 7.249 1.00 0.00 N ATOM 118 CA THR A 9 2.110 -7.325 7.657 1.00 0.00 C ATOM 119 C THR A 9 2.781 -5.976 7.879 1.00 0.00 C ATOM 120 O THR A 9 3.575 -5.820 8.813 1.00 0.00 O ATOM 121 CB THR A 9 2.938 -8.121 6.639 1.00 0.00 C ATOM 122 OG1 THR A 9 2.408 -8.233 5.331 1.00 0.00 O ATOM 123 CG2 THR A 9 3.201 -9.542 7.130 1.00 0.00 C ATOM 0 H THR A 9 0.519 -7.543 6.314 1.00 0.00 H new ATOM 0 HA THR A 9 2.081 -7.871 8.600 1.00 0.00 H new ATOM 0 HB THR A 9 3.844 -7.520 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.593 -8.776 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.790 -10.081 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.750 -9.506 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.252 -10.056 7.283 1.00 0.00 H new ATOM 131 N VAL A 10 2.472 -5.009 7.017 1.00 0.00 N ATOM 132 CA VAL A 10 3.045 -3.691 7.148 1.00 0.00 C ATOM 133 C VAL A 10 2.470 -3.001 8.388 1.00 0.00 C ATOM 134 O VAL A 10 3.194 -2.227 9.008 1.00 0.00 O ATOM 135 CB VAL A 10 2.837 -2.934 5.833 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.379 -1.520 5.881 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.542 -3.627 4.672 1.00 0.00 C ATOM 0 H VAL A 10 1.833 -5.121 6.230 1.00 0.00 H new ATOM 0 HA VAL A 10 4.122 -3.728 7.313 1.00 0.00 H new ATOM 0 HB VAL A 10 1.757 -2.917 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.204 -1.031 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.874 -0.963 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.449 -1.547 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.373 -3.063 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.612 -3.679 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.146 -4.636 4.556 1.00 0.00 H new ATOM 147 N SER A 11 1.247 -3.329 8.823 1.00 0.00 N ATOM 148 CA SER A 11 0.709 -2.830 10.087 1.00 0.00 C ATOM 149 C SER A 11 1.553 -3.317 11.278 1.00 0.00 C ATOM 150 O SER A 11 1.736 -2.616 12.282 1.00 0.00 O ATOM 151 CB SER A 11 -0.784 -3.203 10.192 1.00 0.00 C ATOM 152 OG SER A 11 -1.059 -4.298 11.047 1.00 0.00 O ATOM 0 H SER A 11 0.611 -3.942 8.312 1.00 0.00 H new ATOM 0 HA SER A 11 0.771 -1.742 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.338 -2.334 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.158 -3.435 9.195 1.00 0.00 H new ATOM 0 HG SER A 11 -0.739 -5.126 10.632 1.00 0.00 H new ATOM 158 N LEU A 12 2.106 -4.528 11.161 1.00 0.00 N ATOM 159 CA LEU A 12 2.931 -5.135 12.192 1.00 0.00 C ATOM 160 C LEU A 12 4.233 -4.359 12.342 1.00 0.00 C ATOM 161 O LEU A 12 4.631 -4.040 13.464 1.00 0.00 O ATOM 162 CB LEU A 12 3.189 -6.626 11.929 1.00 0.00 C ATOM 163 CG LEU A 12 1.934 -7.459 11.620 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.338 -8.924 11.427 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.845 -7.363 12.694 1.00 0.00 C ATOM 0 H LEU A 12 1.988 -5.115 10.336 1.00 0.00 H new ATOM 0 HA LEU A 12 2.383 -5.082 13.133 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.882 -6.717 11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.684 -7.053 12.801 1.00 0.00 H new ATOM 0 HG LEU A 12 1.500 -7.046 10.709 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.452 -9.520 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.042 -9.001 10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.808 -9.295 12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.007 -7.978 12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.241 -7.717 13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.526 -6.326 12.797 1.00 0.00 H new ATOM 177 N ALA A 13 4.916 -4.074 11.233 1.00 0.00 N ATOM 178 CA ALA A 13 6.150 -3.300 11.268 1.00 0.00 C ATOM 179 C ALA A 13 5.886 -1.814 11.525 1.00 0.00 C ATOM 180 O ALA A 13 6.723 -1.137 12.116 1.00 0.00 O ATOM 181 CB ALA A 13 6.906 -3.493 9.954 1.00 0.00 C ATOM 0 H ALA A 13 4.632 -4.370 10.299 1.00 0.00 H new ATOM 0 HA ALA A 13 6.758 -3.663 12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.830 -2.915 9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.142 -4.549 9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.286 -3.153 9.124 1.00 0.00 H new ATOM 187 N GLY A 14 4.738 -1.300 11.089 1.00 0.00 N ATOM 188 CA GLY A 14 4.495 0.130 10.950 1.00 0.00 C ATOM 189 C GLY A 14 5.261 0.741 9.768 1.00 0.00 C ATOM 190 O GLY A 14 5.377 1.963 9.678 1.00 0.00 O ATOM 0 H GLY A 14 3.940 -1.875 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.427 0.303 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.787 0.637 11.870 1.00 0.00 H new ATOM 194 N SER A 15 5.809 -0.065 8.851 1.00 0.00 N ATOM 195 CA SER A 15 6.669 0.394 7.765 1.00 0.00 C ATOM 196 C SER A 15 6.956 -0.775 6.817 1.00 0.00 C ATOM 197 O SER A 15 6.635 -1.928 7.115 1.00 0.00 O ATOM 198 CB SER A 15 7.928 1.036 8.389 1.00 0.00 C ATOM 199 OG SER A 15 9.129 0.812 7.684 1.00 0.00 O ATOM 0 H SER A 15 5.661 -1.074 8.847 1.00 0.00 H new ATOM 0 HA SER A 15 6.192 1.159 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.767 2.111 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.045 0.656 9.404 1.00 0.00 H new ATOM 0 HG SER A 15 9.193 1.443 6.937 1.00 0.00 H new ATOM 205 N TYR A 16 7.529 -0.477 5.649 1.00 0.00 N ATOM 206 CA TYR A 16 8.000 -1.480 4.701 1.00 0.00 C ATOM 207 C TYR A 16 9.174 -0.930 3.900 1.00 0.00 C ATOM 208 O TYR A 16 9.029 0.153 3.339 1.00 0.00 O ATOM 209 CB TYR A 16 6.860 -1.822 3.736 1.00 0.00 C ATOM 210 CG TYR A 16 7.190 -2.966 2.814 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.185 -4.272 3.325 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.543 -2.731 1.473 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.514 -5.348 2.493 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.858 -3.811 0.629 1.00 0.00 C ATOM 215 CZ TYR A 16 7.868 -5.125 1.143 1.00 0.00 C ATOM 216 OH TYR A 16 8.276 -6.149 0.349 1.00 0.00 O ATOM 0 H TYR A 16 7.679 0.481 5.334 1.00 0.00 H new ATOM 0 HA TYR A 16 8.319 -2.369 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.968 -2.072 4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.619 -0.941 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.928 -4.447 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.572 -1.721 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.497 -6.354 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.092 -3.635 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 16 8.477 -5.808 -0.548 1.00 0.00 H new ATOM 226 N ARG A 17 10.269 -1.684 3.746 1.00 0.00 N ATOM 227 CA ARG A 17 11.484 -1.323 3.002 1.00 0.00 C ATOM 228 C ARG A 17 12.120 -0.028 3.506 1.00 0.00 C ATOM 229 O ARG A 17 13.048 -0.068 4.306 1.00 0.00 O ATOM 230 CB ARG A 17 11.194 -1.275 1.491 1.00 0.00 C ATOM 231 CG ARG A 17 10.813 -2.633 0.899 1.00 0.00 C ATOM 232 CD ARG A 17 11.950 -3.322 0.157 1.00 0.00 C ATOM 233 NE ARG A 17 12.927 -3.943 1.056 1.00 0.00 N ATOM 234 CZ ARG A 17 12.959 -5.220 1.440 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.917 -6.024 1.233 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.050 -5.695 2.014 1.00 0.00 N ATOM 0 H ARG A 17 10.336 -2.614 4.160 1.00 0.00 H new ATOM 0 HA ARG A 17 12.223 -2.104 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.386 -0.568 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.074 -0.895 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.468 -3.285 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.975 -2.498 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.536 -4.084 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.458 -2.594 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 17 13.658 -3.336 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.079 -5.665 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.957 -6.998 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.856 -5.087 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.086 -6.670 2.312 1.00 0.00 H new ATOM 250 N ASP A 18 11.613 1.102 3.022 1.00 0.00 N ATOM 251 CA ASP A 18 12.063 2.476 3.258 1.00 0.00 C ATOM 252 C ASP A 18 10.877 3.393 3.588 1.00 0.00 C ATOM 253 O ASP A 18 11.031 4.597 3.778 1.00 0.00 O ATOM 254 CB ASP A 18 12.755 2.984 1.985 1.00 0.00 C ATOM 255 CG ASP A 18 13.960 3.859 2.289 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.060 3.273 2.430 1.00 0.00 O ATOM 257 OD2 ASP A 18 13.869 5.102 2.327 1.00 0.00 O ATOM 0 H ASP A 18 10.805 1.081 2.399 1.00 0.00 H new ATOM 0 HA ASP A 18 12.750 2.487 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.071 2.133 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.040 3.550 1.388 1.00 0.00 H new ATOM 262 N TRP A 19 9.660 2.842 3.595 1.00 0.00 N ATOM 263 CA TRP A 19 8.390 3.533 3.697 1.00 0.00 C ATOM 264 C TRP A 19 7.841 3.362 5.108 1.00 0.00 C ATOM 265 O TRP A 19 8.278 2.474 5.842 1.00 0.00 O ATOM 266 CB TRP A 19 7.380 2.941 2.694 1.00 0.00 C ATOM 267 CG TRP A 19 7.727 2.972 1.240 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.775 2.361 0.647 1.00 0.00 C ATOM 269 CD2 TRP A 19 6.990 3.630 0.169 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.772 2.631 -0.703 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.697 3.428 -1.052 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.778 4.346 0.098 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.221 3.922 -2.275 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.307 4.869 -1.112 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.025 4.656 -2.299 1.00 0.00 C ATOM 0 H TRP A 19 9.538 1.832 3.524 1.00 0.00 H new ATOM 0 HA TRP A 19 8.541 4.589 3.474 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.205 1.902 2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.435 3.469 2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.507 1.751 1.156 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.472 2.288 -1.361 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.199 4.495 0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.768 3.740 -3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.389 5.438 -1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.657 5.057 -3.232 1.00 0.00 H new ATOM 286 N SER A 20 6.812 4.129 5.439 1.00 0.00 N ATOM 287 CA SER A 20 6.098 4.157 6.701 1.00 0.00 C ATOM 288 C SER A 20 4.678 3.712 6.420 1.00 0.00 C ATOM 289 O SER A 20 4.133 4.057 5.377 1.00 0.00 O ATOM 290 CB SER A 20 6.062 5.605 7.188 1.00 0.00 C ATOM 291 OG SER A 20 7.173 5.844 8.025 1.00 0.00 O ATOM 0 H SER A 20 6.426 4.801 4.776 1.00 0.00 H new ATOM 0 HA SER A 20 6.571 3.516 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.079 6.287 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.136 5.795 7.731 1.00 0.00 H new ATOM 0 HG SER A 20 7.153 6.773 8.337 1.00 0.00 H new ATOM 297 N TYR A 21 4.077 2.953 7.326 1.00 0.00 N ATOM 298 CA TYR A 21 2.637 2.739 7.336 1.00 0.00 C ATOM 299 C TYR A 21 1.929 4.051 7.709 1.00 0.00 C ATOM 300 O TYR A 21 2.558 4.965 8.246 1.00 0.00 O ATOM 301 CB TYR A 21 2.344 1.612 8.334 1.00 0.00 C ATOM 302 CG TYR A 21 0.916 1.105 8.354 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.364 0.491 7.212 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.140 1.250 9.519 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.975 0.062 7.226 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.193 0.812 9.540 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.760 0.238 8.384 1.00 0.00 C ATOM 308 OH TYR A 21 -3.069 -0.124 8.362 1.00 0.00 O ATOM 0 H TYR A 21 4.574 2.469 8.074 1.00 0.00 H new ATOM 0 HA TYR A 21 2.264 2.445 6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.004 0.774 8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.600 1.962 9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.968 0.350 6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.572 1.700 10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.402 -0.402 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.783 0.914 10.439 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.474 0.058 9.236 1.00 0.00 H new ATOM 318 N SER A 22 0.631 4.129 7.431 1.00 0.00 N ATOM 319 CA SER A 22 -0.286 5.187 7.818 1.00 0.00 C ATOM 320 C SER A 22 -1.531 4.499 8.405 1.00 0.00 C ATOM 321 O SER A 22 -1.447 3.965 9.506 1.00 0.00 O ATOM 322 CB SER A 22 -0.523 6.158 6.652 1.00 0.00 C ATOM 323 OG SER A 22 0.549 7.078 6.498 1.00 0.00 O ATOM 0 H SER A 22 0.163 3.401 6.891 1.00 0.00 H new ATOM 0 HA SER A 22 0.114 5.841 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.650 5.592 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.450 6.706 6.820 1.00 0.00 H new ATOM 0 HG SER A 22 0.242 7.855 5.985 1.00 0.00 H new ATOM 329 N GLY A 23 -2.700 4.541 7.756 1.00 0.00 N ATOM 330 CA GLY A 23 -3.945 3.995 8.315 1.00 0.00 C ATOM 331 C GLY A 23 -5.077 5.025 8.367 1.00 0.00 C ATOM 332 O GLY A 23 -6.187 4.736 8.816 1.00 0.00 O ATOM 0 H GLY A 23 -2.811 4.953 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.264 3.143 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.753 3.623 9.321 1.00 0.00 H new ATOM 336 N GLN A 24 -4.817 6.249 7.906 1.00 0.00 N ATOM 337 CA GLN A 24 -5.815 7.292 7.732 1.00 0.00 C ATOM 338 C GLN A 24 -6.701 6.887 6.558 1.00 0.00 C ATOM 339 O GLN A 24 -6.217 6.294 5.600 1.00 0.00 O ATOM 340 CB GLN A 24 -5.077 8.620 7.485 1.00 0.00 C ATOM 341 CG GLN A 24 -5.980 9.809 7.148 1.00 0.00 C ATOM 342 CD GLN A 24 -7.031 10.076 8.229 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.714 10.246 9.405 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.305 10.055 7.887 1.00 0.00 N ATOM 0 H GLN A 24 -3.879 6.545 7.637 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.448 7.422 8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.495 8.865 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.369 8.478 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.366 10.700 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.481 9.622 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.569 9.914 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.026 10.180 8.598 1.00 0.00 H new ATOM 353 N ARG A 25 -7.992 7.205 6.621 1.00 0.00 N ATOM 354 CA ARG A 25 -8.940 6.914 5.549 1.00 0.00 C ATOM 355 C ARG A 25 -9.126 8.182 4.743 1.00 0.00 C ATOM 356 O ARG A 25 -9.065 9.269 5.320 1.00 0.00 O ATOM 357 CB ARG A 25 -10.298 6.504 6.122 1.00 0.00 C ATOM 358 CG ARG A 25 -10.252 5.423 7.210 1.00 0.00 C ATOM 359 CD ARG A 25 -10.491 4.003 6.697 1.00 0.00 C ATOM 360 NE ARG A 25 -11.534 3.328 7.480 1.00 0.00 N ATOM 361 CZ ARG A 25 -11.339 2.666 8.622 1.00 0.00 C ATOM 362 NH1 ARG A 25 -10.131 2.608 9.171 1.00 0.00 N ATOM 363 NH2 ARG A 25 -12.355 2.064 9.222 1.00 0.00 N ATOM 0 H ARG A 25 -8.412 7.675 7.423 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.556 6.098 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.782 7.390 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.926 6.148 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.280 5.460 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.001 5.654 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.784 4.036 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.564 3.432 6.751 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.488 3.369 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.343 3.072 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.992 2.100 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.288 2.106 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.205 1.558 10.095 1.00 0.00 H new ATOM 377 N THR A 26 -9.386 8.053 3.452 1.00 0.00 N ATOM 378 CA THR A 26 -9.713 9.152 2.561 1.00 0.00 C ATOM 379 C THR A 26 -10.562 8.591 1.406 1.00 0.00 C ATOM 380 O THR A 26 -10.905 7.401 1.384 1.00 0.00 O ATOM 381 CB THR A 26 -8.445 9.901 2.078 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.800 9.248 1.005 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.360 10.242 3.110 1.00 0.00 C ATOM 0 H THR A 26 -9.375 7.149 2.980 1.00 0.00 H new ATOM 0 HA THR A 26 -10.294 9.906 3.091 1.00 0.00 H new ATOM 0 HB THR A 26 -8.897 10.849 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.009 9.761 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.540 10.764 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.783 10.881 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.986 9.323 3.562 1.00 0.00 H new ATOM 391 N GLU A 27 -10.880 9.412 0.407 1.00 0.00 N ATOM 392 CA GLU A 27 -11.570 9.007 -0.817 1.00 0.00 C ATOM 393 C GLU A 27 -10.861 7.942 -1.642 1.00 0.00 C ATOM 394 O GLU A 27 -11.487 7.247 -2.448 1.00 0.00 O ATOM 395 CB GLU A 27 -11.782 10.235 -1.694 1.00 0.00 C ATOM 396 CG GLU A 27 -10.578 11.150 -1.963 1.00 0.00 C ATOM 397 CD GLU A 27 -10.605 12.343 -1.009 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.253 13.361 -1.350 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.079 12.203 0.118 1.00 0.00 O ATOM 0 H GLU A 27 -10.658 10.407 0.427 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.507 8.557 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.164 9.895 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.565 10.840 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.651 10.592 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.599 11.499 -2.995 1.00 0.00 H new ATOM 406 N LEU A 28 -9.554 7.828 -1.467 1.00 0.00 N ATOM 407 CA LEU A 28 -8.706 6.960 -2.273 1.00 0.00 C ATOM 408 C LEU A 28 -8.547 5.599 -1.643 1.00 0.00 C ATOM 409 O LEU A 28 -8.064 4.680 -2.306 1.00 0.00 O ATOM 410 CB LEU A 28 -7.371 7.669 -2.518 1.00 0.00 C ATOM 411 CG LEU A 28 -7.549 8.928 -3.386 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.453 9.953 -3.116 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.586 8.589 -4.866 1.00 0.00 C ATOM 0 H LEU A 28 -9.043 8.343 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.176 6.774 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.924 7.945 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.679 6.984 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.509 9.365 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.610 10.828 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.483 10.250 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.481 9.514 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.713 9.503 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.652 8.105 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.420 7.915 -5.064 1.00 0.00 H new ATOM 425 N GLY A 29 -9.038 5.425 -0.418 1.00 0.00 N ATOM 426 CA GLY A 29 -8.838 4.168 0.280 1.00 0.00 C ATOM 427 C GLY A 29 -8.463 4.404 1.724 1.00 0.00 C ATOM 428 O GLY A 29 -8.854 5.424 2.300 1.00 0.00 O ATOM 0 H GLY A 29 -9.567 6.127 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.749 3.571 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.054 3.594 -0.214 1.00 0.00 H new ATOM 432 N VAL A 30 -7.707 3.482 2.310 1.00 0.00 N ATOM 433 CA VAL A 30 -6.819 3.863 3.413 1.00 0.00 C ATOM 434 C VAL A 30 -5.451 4.244 2.819 1.00 0.00 C ATOM 435 O VAL A 30 -5.019 3.656 1.822 1.00 0.00 O ATOM 436 CB VAL A 30 -6.653 2.702 4.407 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.032 3.128 5.737 1.00 0.00 C ATOM 438 CG2 VAL A 30 -7.993 2.055 4.740 1.00 0.00 C ATOM 0 H VAL A 30 -7.686 2.495 2.054 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.249 4.707 3.953 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.988 2.003 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.943 2.261 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.043 3.550 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.666 3.877 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.838 1.238 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.655 2.798 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.446 1.666 3.828 1.00 0.00 H new ATOM 448 N GLU A 31 -4.762 5.187 3.458 1.00 0.00 N ATOM 449 CA GLU A 31 -3.370 5.524 3.246 1.00 0.00 C ATOM 450 C GLU A 31 -2.535 4.320 3.665 1.00 0.00 C ATOM 451 O GLU A 31 -2.520 3.958 4.844 1.00 0.00 O ATOM 452 CB GLU A 31 -2.983 6.749 4.087 1.00 0.00 C ATOM 453 CG GLU A 31 -3.636 8.047 3.597 1.00 0.00 C ATOM 454 CD GLU A 31 -3.168 9.285 4.370 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.094 9.252 5.012 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.884 10.313 4.300 1.00 0.00 O ATOM 0 H GLU A 31 -5.193 5.766 4.179 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.195 5.767 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.269 6.575 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.899 6.866 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.413 8.181 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.719 7.958 3.686 1.00 0.00 H new ATOM 463 N PHE A 32 -1.867 3.689 2.701 1.00 0.00 N ATOM 464 CA PHE A 32 -1.015 2.538 2.919 1.00 0.00 C ATOM 465 C PHE A 32 0.346 2.954 3.420 1.00 0.00 C ATOM 466 O PHE A 32 0.554 3.403 4.544 1.00 0.00 O ATOM 467 CB PHE A 32 -1.149 1.500 1.771 1.00 0.00 C ATOM 468 CG PHE A 32 -0.669 0.072 2.061 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.635 -0.458 3.369 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.249 -0.755 1.000 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.094 -1.729 3.620 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.274 -2.040 1.248 1.00 0.00 C ATOM 473 CZ PHE A 32 0.386 -2.521 2.565 1.00 0.00 C ATOM 0 H PHE A 32 -1.909 3.977 1.724 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.358 1.933 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.198 1.452 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.596 1.875 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.031 0.123 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.329 -0.399 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.047 -2.100 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.591 -2.659 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.834 -3.484 2.761 1.00 0.00 H new ATOM 483 N LEU A 33 1.270 2.711 2.546 1.00 0.00 N ATOM 484 CA LEU A 33 2.667 3.079 2.675 1.00 0.00 C ATOM 485 C LEU A 33 2.828 4.501 2.187 1.00 0.00 C ATOM 486 O LEU A 33 2.500 4.817 1.044 1.00 0.00 O ATOM 487 CB LEU A 33 3.650 2.140 1.956 1.00 0.00 C ATOM 488 CG LEU A 33 3.934 0.805 2.667 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.448 1.034 4.094 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.726 -0.109 2.580 1.00 0.00 C ATOM 0 H LEU A 33 1.072 2.225 1.672 1.00 0.00 H new ATOM 0 HA LEU A 33 2.928 2.988 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.258 1.926 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.594 2.667 1.820 1.00 0.00 H new ATOM 0 HG LEU A 33 4.743 0.286 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.640 0.073 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.371 1.612 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.699 1.580 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.943 -1.049 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.871 0.371 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.494 -0.307 1.534 1.00 0.00 H new ATOM 502 N LYS A 34 3.395 5.348 3.034 1.00 0.00 N ATOM 503 CA LYS A 34 3.860 6.677 2.703 1.00 0.00 C ATOM 504 C LYS A 34 5.374 6.665 2.715 1.00 0.00 C ATOM 505 O LYS A 34 5.969 5.947 3.515 1.00 0.00 O ATOM 506 CB LYS A 34 3.327 7.660 3.745 1.00 0.00 C ATOM 507 CG LYS A 34 1.855 7.993 3.471 1.00 0.00 C ATOM 508 CD LYS A 34 1.433 9.404 3.910 1.00 0.00 C ATOM 509 CE LYS A 34 2.226 10.465 3.133 1.00 0.00 C ATOM 510 NZ LYS A 34 2.830 11.499 3.989 1.00 0.00 N ATOM 0 H LYS A 34 3.548 5.111 4.014 1.00 0.00 H new ATOM 0 HA LYS A 34 3.506 6.981 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.429 7.232 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.921 8.574 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.663 7.885 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.228 7.263 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.365 9.541 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.603 9.525 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.014 9.972 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.564 10.944 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.348 12.180 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.082 11.996 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.487 11.053 4.661 1.00 0.00 H new ATOM 524 N ARG A 35 6.018 7.452 1.863 1.00 0.00 N ATOM 525 CA ARG A 35 7.466 7.618 1.882 1.00 0.00 C ATOM 526 C ARG A 35 7.787 8.913 1.190 1.00 0.00 C ATOM 527 O ARG A 35 7.544 9.029 -0.009 1.00 0.00 O ATOM 528 CB ARG A 35 8.153 6.479 1.134 1.00 0.00 C ATOM 529 CG ARG A 35 9.675 6.646 1.055 1.00 0.00 C ATOM 530 CD ARG A 35 10.252 5.530 0.199 1.00 0.00 C ATOM 531 NE ARG A 35 11.591 5.862 -0.308 1.00 0.00 N ATOM 532 CZ ARG A 35 12.131 5.317 -1.401 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.490 4.346 -2.037 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.271 5.779 -1.898 1.00 0.00 N ATOM 0 H ARG A 35 5.550 7.995 1.137 1.00 0.00 H new ATOM 0 HA ARG A 35 7.819 7.617 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.922 5.535 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.747 6.418 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.925 7.617 0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.109 6.617 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.303 4.613 0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.585 5.335 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 35 12.141 6.550 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.588 4.018 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.899 3.927 -2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.746 6.560 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.673 5.354 -2.733 1.00 0.00 H new ATOM 548 N GLY A 36 8.399 9.849 1.894 1.00 0.00 N ATOM 549 CA GLY A 36 8.936 11.030 1.270 1.00 0.00 C ATOM 550 C GLY A 36 7.820 11.929 0.792 1.00 0.00 C ATOM 551 O GLY A 36 7.314 12.739 1.567 1.00 0.00 O ATOM 0 H GLY A 36 8.533 9.807 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.567 11.568 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.570 10.748 0.429 1.00 0.00 H new ATOM 555 N ASP A 37 7.400 11.770 -0.455 1.00 0.00 N ATOM 556 CA ASP A 37 6.250 12.464 -1.031 1.00 0.00 C ATOM 557 C ASP A 37 5.294 11.488 -1.728 1.00 0.00 C ATOM 558 O ASP A 37 4.385 11.897 -2.440 1.00 0.00 O ATOM 559 CB ASP A 37 6.747 13.564 -1.960 1.00 0.00 C ATOM 560 CG ASP A 37 5.767 14.723 -2.161 1.00 0.00 C ATOM 561 OD1 ASP A 37 4.788 14.859 -1.397 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.085 15.596 -3.005 1.00 0.00 O ATOM 0 H ASP A 37 7.859 11.140 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 37 5.668 12.927 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.682 13.961 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.974 13.125 -2.932 1.00 0.00 H new ATOM 567 N LYS A 38 5.525 10.181 -1.565 1.00 0.00 N ATOM 568 CA LYS A 38 4.782 9.114 -2.236 1.00 0.00 C ATOM 569 C LYS A 38 3.731 8.555 -1.290 1.00 0.00 C ATOM 570 O LYS A 38 4.006 8.416 -0.095 1.00 0.00 O ATOM 571 CB LYS A 38 5.747 8.001 -2.685 1.00 0.00 C ATOM 572 CG LYS A 38 6.883 8.473 -3.602 1.00 0.00 C ATOM 573 CD LYS A 38 6.431 9.235 -4.854 1.00 0.00 C ATOM 574 CE LYS A 38 5.626 8.377 -5.838 1.00 0.00 C ATOM 575 NZ LYS A 38 5.479 9.047 -7.146 1.00 0.00 N ATOM 0 H LYS A 38 6.254 9.829 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 38 4.286 9.518 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.181 7.536 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.176 7.230 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.552 9.113 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.463 7.604 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.826 10.089 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.309 9.631 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.122 7.416 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.640 8.171 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.539 9.488 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.212 9.778 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.583 8.347 -7.908 1.00 0.00 H new ATOM 589 N ILE A 39 2.556 8.189 -1.814 1.00 0.00 N ATOM 590 CA ILE A 39 1.453 7.624 -1.029 1.00 0.00 C ATOM 591 C ILE A 39 0.830 6.475 -1.807 1.00 0.00 C ATOM 592 O ILE A 39 0.187 6.686 -2.835 1.00 0.00 O ATOM 593 CB ILE A 39 0.372 8.667 -0.664 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.034 9.943 -0.112 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.613 8.019 0.335 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.041 10.971 0.413 1.00 0.00 C ATOM 0 H ILE A 39 2.342 8.278 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 39 1.869 7.270 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.192 8.971 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.718 9.668 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.634 10.400 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.384 8.740 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.077 7.147 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.073 7.712 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.581 11.842 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.627 11.275 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.542 10.533 1.223 1.00 0.00 H new ATOM 608 N VAL A 40 1.011 5.259 -1.305 1.00 0.00 N ATOM 609 CA VAL A 40 0.251 4.110 -1.744 1.00 0.00 C ATOM 610 C VAL A 40 -1.073 4.135 -0.993 1.00 0.00 C ATOM 611 O VAL A 40 -1.126 4.525 0.175 1.00 0.00 O ATOM 612 CB VAL A 40 1.050 2.810 -1.479 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.403 1.524 -2.015 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.450 2.882 -2.095 1.00 0.00 C ATOM 0 H VAL A 40 1.695 5.048 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 40 0.061 4.141 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 40 1.077 2.752 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.039 0.671 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.574 1.387 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.284 1.600 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.985 1.955 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.367 3.024 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.996 3.719 -1.660 1.00 0.00 H new ATOM 624 N TYR A 41 -2.122 3.648 -1.639 1.00 0.00 N ATOM 625 CA TYR A 41 -3.437 3.399 -1.078 1.00 0.00 C ATOM 626 C TYR A 41 -3.709 1.907 -1.197 1.00 0.00 C ATOM 627 O TYR A 41 -3.104 1.232 -2.035 1.00 0.00 O ATOM 628 CB TYR A 41 -4.464 4.238 -1.848 1.00 0.00 C ATOM 629 CG TYR A 41 -4.320 5.703 -1.529 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.357 6.465 -2.223 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.063 6.272 -0.474 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.165 7.818 -1.905 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.821 7.615 -0.121 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.891 8.396 -0.843 1.00 0.00 C ATOM 635 OH TYR A 41 -3.658 9.697 -0.508 1.00 0.00 O ATOM 0 H TYR A 41 -2.072 3.402 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.500 3.684 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.335 4.082 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.471 3.906 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.766 6.006 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.804 5.690 0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.464 8.414 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.353 8.052 0.711 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.236 9.950 0.242 1.00 0.00 H new ATOM 645 N HIS A 42 -4.609 1.392 -0.366 1.00 0.00 N ATOM 646 CA HIS A 42 -5.164 0.063 -0.546 1.00 0.00 C ATOM 647 C HIS A 42 -6.673 0.199 -0.493 1.00 0.00 C ATOM 648 O HIS A 42 -7.214 1.082 0.193 1.00 0.00 O ATOM 649 CB HIS A 42 -4.591 -0.920 0.484 1.00 0.00 C ATOM 650 CG HIS A 42 -5.177 -0.815 1.868 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.488 -1.068 2.193 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.529 -0.441 3.013 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.657 -0.788 3.490 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.478 -0.452 4.046 1.00 0.00 N ATOM 0 H HIS A 42 -4.971 1.887 0.449 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.886 -0.361 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.745 -1.935 0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.514 -0.765 0.550 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.207 -1.410 1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.484 -0.185 3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.601 -0.826 4.014 1.00 0.00 H new ATOM 662 N THR A 43 -7.361 -0.702 -1.175 1.00 0.00 N ATOM 663 CA THR A 43 -8.800 -0.784 -1.076 1.00 0.00 C ATOM 664 C THR A 43 -9.146 -1.623 0.147 1.00 0.00 C ATOM 665 O THR A 43 -8.375 -2.473 0.606 1.00 0.00 O ATOM 666 CB THR A 43 -9.394 -1.282 -2.399 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.938 -2.555 -2.766 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.991 -0.284 -3.481 1.00 0.00 C ATOM 0 H THR A 43 -6.940 -1.386 -1.803 1.00 0.00 H new ATOM 0 HA THR A 43 -9.256 0.194 -0.923 1.00 0.00 H new ATOM 0 HB THR A 43 -10.475 -1.360 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.466 -2.886 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.396 -0.605 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.385 0.701 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.904 -0.235 -3.544 1.00 0.00 H new ATOM 676 N LEU A 44 -10.267 -1.288 0.770 1.00 0.00 N ATOM 677 CA LEU A 44 -10.730 -1.957 1.978 1.00 0.00 C ATOM 678 C LEU A 44 -11.483 -3.245 1.647 1.00 0.00 C ATOM 679 O LEU A 44 -11.532 -4.165 2.457 1.00 0.00 O ATOM 680 CB LEU A 44 -11.607 -0.992 2.778 1.00 0.00 C ATOM 681 CG LEU A 44 -10.827 0.287 3.155 1.00 0.00 C ATOM 682 CD1 LEU A 44 -11.107 1.473 2.239 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.168 0.680 4.598 1.00 0.00 C ATOM 0 H LEU A 44 -10.884 -0.541 0.450 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.868 -2.242 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.487 -0.726 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.963 -1.484 3.683 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.769 0.048 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.523 2.333 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.830 1.216 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.168 1.719 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.620 1.582 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.239 0.867 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.888 -0.130 5.271 1.00 0.00 H new ATOM 695 N GLU A 45 -12.071 -3.308 0.459 1.00 0.00 N ATOM 696 CA GLU A 45 -12.810 -4.451 -0.066 1.00 0.00 C ATOM 697 C GLU A 45 -11.821 -5.388 -0.768 1.00 0.00 C ATOM 698 O GLU A 45 -10.705 -4.969 -1.072 1.00 0.00 O ATOM 699 CB GLU A 45 -13.892 -3.911 -1.019 1.00 0.00 C ATOM 700 CG GLU A 45 -14.892 -3.037 -0.236 1.00 0.00 C ATOM 701 CD GLU A 45 -15.826 -2.195 -1.102 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.438 -2.708 -2.065 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.018 -1.005 -0.751 1.00 0.00 O ATOM 0 H GLU A 45 -12.045 -2.527 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.302 -5.024 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.430 -3.326 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.416 -4.740 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.495 -3.683 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.333 -2.372 0.422 1.00 0.00 H new ATOM 710 N SER A 46 -12.204 -6.646 -1.015 1.00 0.00 N ATOM 711 CA SER A 46 -11.290 -7.647 -1.563 1.00 0.00 C ATOM 712 C SER A 46 -11.689 -8.124 -2.966 1.00 0.00 C ATOM 713 O SER A 46 -12.888 -8.224 -3.258 1.00 0.00 O ATOM 714 CB SER A 46 -11.178 -8.821 -0.598 1.00 0.00 C ATOM 715 OG SER A 46 -10.575 -8.368 0.594 1.00 0.00 O ATOM 0 H SER A 46 -13.147 -6.994 -0.842 1.00 0.00 H new ATOM 0 HA SER A 46 -10.316 -7.171 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.165 -9.235 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.585 -9.620 -1.042 1.00 0.00 H new ATOM 0 HG SER A 46 -10.498 -9.113 1.225 1.00 0.00 H new ATOM 721 N PRO A 47 -10.713 -8.549 -3.792 1.00 0.00 N ATOM 722 CA PRO A 47 -9.290 -8.576 -3.467 1.00 0.00 C ATOM 723 C PRO A 47 -8.712 -7.162 -3.465 1.00 0.00 C ATOM 724 O PRO A 47 -9.068 -6.338 -4.304 1.00 0.00 O ATOM 725 CB PRO A 47 -8.649 -9.455 -4.530 1.00 0.00 C ATOM 726 CG PRO A 47 -9.515 -9.164 -5.749 1.00 0.00 C ATOM 727 CD PRO A 47 -10.917 -8.978 -5.167 1.00 0.00 C ATOM 0 HA PRO A 47 -9.100 -8.973 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.605 -9.193 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.673 -10.510 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.178 -8.270 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.485 -9.985 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.480 -8.234 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.485 -9.907 -5.208 1.00 0.00 H new ATOM 735 N VAL A 48 -7.875 -6.899 -2.465 1.00 0.00 N ATOM 736 CA VAL A 48 -7.318 -5.588 -2.201 1.00 0.00 C ATOM 737 C VAL A 48 -6.469 -5.184 -3.396 1.00 0.00 C ATOM 738 O VAL A 48 -5.553 -5.896 -3.818 1.00 0.00 O ATOM 739 CB VAL A 48 -6.568 -5.603 -0.865 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.798 -4.297 -0.665 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.553 -5.851 0.290 1.00 0.00 C ATOM 0 H VAL A 48 -7.562 -7.611 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.093 -4.830 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.843 -6.417 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.272 -4.327 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.077 -4.172 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.495 -3.459 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.010 -5.860 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.300 -5.057 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.048 -6.812 0.146 1.00 0.00 H new ATOM 751 N GLU A 49 -6.810 -4.035 -3.954 1.00 0.00 N ATOM 752 CA GLU A 49 -6.043 -3.349 -4.960 1.00 0.00 C ATOM 753 C GLU A 49 -5.157 -2.342 -4.249 1.00 0.00 C ATOM 754 O GLU A 49 -5.492 -1.862 -3.163 1.00 0.00 O ATOM 755 CB GLU A 49 -7.004 -2.702 -5.963 1.00 0.00 C ATOM 756 CG GLU A 49 -7.652 -3.813 -6.799 1.00 0.00 C ATOM 757 CD GLU A 49 -8.761 -3.301 -7.708 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.471 -2.781 -8.818 1.00 0.00 O ATOM 759 OE2 GLU A 49 -9.945 -3.518 -7.374 1.00 0.00 O ATOM 0 H GLU A 49 -7.666 -3.540 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.404 -4.024 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.768 -2.127 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.467 -2.006 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.887 -4.297 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.058 -4.573 -6.131 1.00 0.00 H new ATOM 766 N PHE A 50 -4.032 -2.017 -4.875 1.00 0.00 N ATOM 767 CA PHE A 50 -3.024 -1.122 -4.343 1.00 0.00 C ATOM 768 C PHE A 50 -2.829 -0.027 -5.366 1.00 0.00 C ATOM 769 O PHE A 50 -2.553 -0.348 -6.520 1.00 0.00 O ATOM 770 CB PHE A 50 -1.706 -1.867 -4.144 1.00 0.00 C ATOM 771 CG PHE A 50 -1.775 -3.028 -3.176 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.828 -2.807 -1.786 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.800 -4.340 -3.679 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.873 -3.902 -0.905 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.859 -5.422 -2.796 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.876 -5.212 -1.412 1.00 0.00 C ATOM 0 H PHE A 50 -3.793 -2.384 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.337 -0.720 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.364 -2.237 -5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.955 -1.161 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.834 -1.799 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.774 -4.512 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.905 -3.736 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.892 -6.429 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.891 -6.054 -0.736 1.00 0.00 H new ATOM 786 N HIS A 51 -2.969 1.240 -4.988 1.00 0.00 N ATOM 787 CA HIS A 51 -2.758 2.329 -5.931 1.00 0.00 C ATOM 788 C HIS A 51 -1.604 3.164 -5.432 1.00 0.00 C ATOM 789 O HIS A 51 -1.280 3.133 -4.253 1.00 0.00 O ATOM 790 CB HIS A 51 -4.010 3.196 -6.148 1.00 0.00 C ATOM 791 CG HIS A 51 -5.355 2.570 -5.872 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.726 1.301 -6.192 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.427 3.173 -5.248 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.059 1.141 -5.816 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.432 2.284 -5.212 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.225 1.534 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.532 1.899 -6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.917 4.082 -5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.006 3.538 -7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.453 4.180 -4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.674 0.268 -5.978 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.345 2.451 -4.789 1.00 0.00 H new ATOM 803 N LEU A 52 -0.984 3.917 -6.323 1.00 0.00 N ATOM 804 CA LEU A 52 0.094 4.849 -6.009 1.00 0.00 C ATOM 805 C LEU A 52 0.112 5.963 -7.039 1.00 0.00 C ATOM 806 O LEU A 52 0.258 5.684 -8.236 1.00 0.00 O ATOM 807 CB LEU A 52 1.448 4.125 -6.026 1.00 0.00 C ATOM 808 CG LEU A 52 2.666 5.066 -5.918 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.704 5.892 -4.634 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.954 4.250 -5.994 1.00 0.00 C ATOM 0 H LEU A 52 -1.221 3.899 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.076 5.262 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.478 3.413 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.528 3.548 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 52 2.575 5.763 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.590 6.527 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.812 6.515 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.737 5.225 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.812 4.917 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.979 3.532 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.992 3.718 -6.944 1.00 0.00 H new ATOM 822 N ASP A 53 0.008 7.209 -6.568 1.00 0.00 N ATOM 823 CA ASP A 53 0.049 8.462 -7.335 1.00 0.00 C ATOM 824 C ASP A 53 -1.262 8.671 -8.083 1.00 0.00 C ATOM 825 O ASP A 53 -1.883 9.729 -8.000 1.00 0.00 O ATOM 826 CB ASP A 53 1.280 8.515 -8.256 1.00 0.00 C ATOM 827 CG ASP A 53 2.014 9.846 -8.158 1.00 0.00 C ATOM 828 OD1 ASP A 53 2.910 9.926 -7.286 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.753 10.752 -8.979 1.00 0.00 O ATOM 0 H ASP A 53 -0.116 7.383 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 53 0.157 9.295 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.962 7.706 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.968 8.349 -9.287 1.00 0.00 H new ATOM 834 N GLY A 54 -1.717 7.598 -8.713 1.00 0.00 N ATOM 835 CA GLY A 54 -2.989 7.395 -9.355 1.00 0.00 C ATOM 836 C GLY A 54 -3.029 6.055 -10.085 1.00 0.00 C ATOM 837 O GLY A 54 -4.091 5.620 -10.532 1.00 0.00 O ATOM 0 H GLY A 54 -1.134 6.764 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.785 7.431 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.176 8.203 -10.062 1.00 0.00 H new ATOM 841 N GLU A 55 -1.896 5.359 -10.210 1.00 0.00 N ATOM 842 CA GLU A 55 -1.768 4.101 -10.916 1.00 0.00 C ATOM 843 C GLU A 55 -1.986 3.000 -9.904 1.00 0.00 C ATOM 844 O GLU A 55 -1.257 2.879 -8.924 1.00 0.00 O ATOM 845 CB GLU A 55 -0.377 3.998 -11.538 1.00 0.00 C ATOM 846 CG GLU A 55 -0.287 4.850 -12.813 1.00 0.00 C ATOM 847 CD GLU A 55 0.930 5.766 -12.823 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.026 5.330 -12.413 1.00 0.00 O ATOM 849 OE2 GLU A 55 0.816 6.944 -13.240 1.00 0.00 O ATOM 0 H GLU A 55 -1.016 5.676 -9.804 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.497 4.023 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.373 4.329 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.155 2.957 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.249 4.193 -13.682 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.191 5.452 -12.907 1.00 0.00 H new ATOM 856 N VAL A 56 -3.032 2.222 -10.115 1.00 0.00 N ATOM 857 CA VAL A 56 -3.189 0.917 -9.509 1.00 0.00 C ATOM 858 C VAL A 56 -2.165 -0.098 -10.016 1.00 0.00 C ATOM 859 O VAL A 56 -2.012 -0.324 -11.218 1.00 0.00 O ATOM 860 CB VAL A 56 -4.671 0.558 -9.360 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.501 0.935 -10.562 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.909 -0.914 -8.993 1.00 0.00 C ATOM 0 H VAL A 56 -3.808 2.486 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.886 0.912 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.007 1.166 -8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.540 0.653 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.439 2.011 -10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.125 0.414 -11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.980 -1.098 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.494 -1.555 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.422 -1.135 -8.043 1.00 0.00 H new ATOM 872 N LEU A 57 -1.382 -0.593 -9.058 1.00 0.00 N ATOM 873 CA LEU A 57 -0.206 -1.442 -9.194 1.00 0.00 C ATOM 874 C LEU A 57 -0.626 -2.869 -8.864 1.00 0.00 C ATOM 875 O LEU A 57 -1.509 -3.052 -8.023 1.00 0.00 O ATOM 876 CB LEU A 57 0.873 -0.994 -8.189 1.00 0.00 C ATOM 877 CG LEU A 57 1.094 0.530 -8.067 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.071 0.820 -6.916 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.542 1.173 -9.391 1.00 0.00 C ATOM 0 H LEU A 57 -1.576 -0.389 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 57 0.196 -1.376 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.609 -1.383 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.819 -1.457 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 57 0.136 0.995 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.225 1.896 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.657 0.439 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.025 0.331 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.682 2.244 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.482 0.725 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.780 1.006 -10.152 1.00 0.00 H new ATOM 891 N SER A 58 0.027 -3.889 -9.421 1.00 0.00 N ATOM 892 CA SER A 58 -0.198 -5.252 -8.955 1.00 0.00 C ATOM 893 C SER A 58 0.456 -5.405 -7.575 1.00 0.00 C ATOM 894 O SER A 58 1.329 -4.618 -7.216 1.00 0.00 O ATOM 895 CB SER A 58 0.314 -6.273 -9.985 1.00 0.00 C ATOM 896 OG SER A 58 1.039 -5.700 -11.059 1.00 0.00 O ATOM 0 H SER A 58 0.702 -3.799 -10.180 1.00 0.00 H new ATOM 0 HA SER A 58 -1.264 -5.452 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.951 -6.997 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.536 -6.824 -10.388 1.00 0.00 H new ATOM 0 HG SER A 58 1.333 -6.408 -11.670 1.00 0.00 H new ATOM 902 N LEU A 59 0.096 -6.427 -6.801 1.00 0.00 N ATOM 903 CA LEU A 59 0.594 -6.624 -5.446 1.00 0.00 C ATOM 904 C LEU A 59 2.053 -6.999 -5.469 1.00 0.00 C ATOM 905 O LEU A 59 2.886 -6.461 -4.745 1.00 0.00 O ATOM 906 CB LEU A 59 -0.175 -7.777 -4.803 1.00 0.00 C ATOM 907 CG LEU A 59 0.262 -8.133 -3.363 1.00 0.00 C ATOM 908 CD1 LEU A 59 1.171 -9.331 -3.243 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.803 -7.046 -2.435 1.00 0.00 C ATOM 0 H LEU A 59 -0.558 -7.149 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 59 0.463 -5.698 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.235 -7.525 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.064 -8.662 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.742 -8.353 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.419 -9.496 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.666 -10.212 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.086 -9.152 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.056 -7.485 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.695 -6.601 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.044 -6.276 -2.296 1.00 0.00 H new ATOM 921 N ASP A 60 2.343 -7.985 -6.301 1.00 0.00 N ATOM 922 CA ASP A 60 3.670 -8.547 -6.353 1.00 0.00 C ATOM 923 C ASP A 60 4.611 -7.487 -6.956 1.00 0.00 C ATOM 924 O ASP A 60 5.729 -7.302 -6.472 1.00 0.00 O ATOM 925 CB ASP A 60 3.605 -9.845 -7.178 1.00 0.00 C ATOM 926 CG ASP A 60 3.900 -11.130 -6.392 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.171 -11.472 -5.426 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.740 -11.938 -6.846 1.00 0.00 O ATOM 0 H ASP A 60 1.675 -8.408 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 60 4.058 -8.806 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.612 -9.927 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.315 -9.770 -8.002 1.00 0.00 H new ATOM 933 N LYS A 61 4.108 -6.705 -7.930 1.00 0.00 N ATOM 934 CA LYS A 61 4.764 -5.519 -8.481 1.00 0.00 C ATOM 935 C LYS A 61 4.997 -4.513 -7.376 1.00 0.00 C ATOM 936 O LYS A 61 6.114 -4.011 -7.290 1.00 0.00 O ATOM 937 CB LYS A 61 3.901 -4.825 -9.555 1.00 0.00 C ATOM 938 CG LYS A 61 4.308 -5.092 -11.012 1.00 0.00 C ATOM 939 CD LYS A 61 3.750 -3.979 -11.919 1.00 0.00 C ATOM 940 CE LYS A 61 4.038 -4.237 -13.403 1.00 0.00 C ATOM 941 NZ LYS A 61 3.249 -3.350 -14.285 1.00 0.00 N ATOM 0 H LYS A 61 3.205 -6.893 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 61 5.699 -5.852 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.866 -5.140 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.931 -3.750 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.394 -5.132 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.928 -6.062 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.673 -3.897 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.186 -3.023 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.100 -4.089 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.813 -5.277 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.475 -3.558 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.235 -3.509 -14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.482 -2.358 -14.078 1.00 0.00 H new ATOM 955 N LEU A 62 3.967 -4.176 -6.591 1.00 0.00 N ATOM 956 CA LEU A 62 4.005 -3.157 -5.551 1.00 0.00 C ATOM 957 C LEU A 62 5.232 -3.388 -4.689 1.00 0.00 C ATOM 958 O LEU A 62 5.961 -2.438 -4.436 1.00 0.00 O ATOM 959 CB LEU A 62 2.723 -3.146 -4.699 1.00 0.00 C ATOM 960 CG LEU A 62 2.837 -2.279 -3.429 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.049 -0.796 -3.752 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.599 -2.401 -2.547 1.00 0.00 C ATOM 0 H LEU A 62 3.055 -4.625 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 62 4.063 -2.177 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.895 -2.780 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.479 -4.168 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 62 3.709 -2.659 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.123 -0.229 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.969 -0.676 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.206 -0.427 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.719 -1.775 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.721 -2.076 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.471 -3.439 -2.242 1.00 0.00 H new ATOM 974 N LYS A 63 5.489 -4.624 -4.256 1.00 0.00 N ATOM 975 CA LYS A 63 6.642 -4.894 -3.406 1.00 0.00 C ATOM 976 C LYS A 63 7.940 -4.459 -4.090 1.00 0.00 C ATOM 977 O LYS A 63 8.700 -3.684 -3.510 1.00 0.00 O ATOM 978 CB LYS A 63 6.691 -6.368 -2.987 1.00 0.00 C ATOM 979 CG LYS A 63 5.441 -6.790 -2.209 1.00 0.00 C ATOM 980 CD LYS A 63 5.492 -8.283 -1.879 1.00 0.00 C ATOM 981 CE LYS A 63 4.164 -8.672 -1.228 1.00 0.00 C ATOM 982 NZ LYS A 63 4.177 -10.075 -0.790 1.00 0.00 N ATOM 0 H LYS A 63 4.921 -5.441 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 63 6.535 -4.303 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.793 -6.993 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.575 -6.540 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.366 -6.211 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.549 -6.572 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.658 -8.867 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.322 -8.496 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.971 -8.023 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.350 -8.517 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.263 -10.311 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.337 -10.693 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.939 -10.215 -0.097 1.00 0.00 H new ATOM 996 N SER A 64 8.119 -4.844 -5.357 1.00 0.00 N ATOM 997 CA SER A 64 9.236 -4.367 -6.173 1.00 0.00 C ATOM 998 C SER A 64 9.240 -2.837 -6.234 1.00 0.00 C ATOM 999 O SER A 64 10.292 -2.230 -6.087 1.00 0.00 O ATOM 1000 CB SER A 64 9.224 -4.932 -7.604 1.00 0.00 C ATOM 1001 OG SER A 64 10.030 -6.082 -7.725 1.00 0.00 O ATOM 0 H SER A 64 7.497 -5.491 -5.842 1.00 0.00 H new ATOM 0 HA SER A 64 10.142 -4.728 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.200 -5.175 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.575 -4.169 -8.298 1.00 0.00 H new ATOM 0 HG SER A 64 9.994 -6.411 -8.647 1.00 0.00 H new ATOM 1007 N LEU A 65 8.094 -2.192 -6.466 1.00 0.00 N ATOM 1008 CA LEU A 65 7.993 -0.739 -6.601 1.00 0.00 C ATOM 1009 C LEU A 65 8.339 -0.013 -5.310 1.00 0.00 C ATOM 1010 O LEU A 65 8.726 1.153 -5.339 1.00 0.00 O ATOM 1011 CB LEU A 65 6.580 -0.335 -7.059 1.00 0.00 C ATOM 1012 CG LEU A 65 6.162 -0.819 -8.457 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.890 -0.100 -8.865 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.283 -0.588 -9.474 1.00 0.00 C ATOM 0 H LEU A 65 7.199 -2.672 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 65 8.721 -0.442 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.861 -0.717 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.509 0.752 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 65 5.973 -1.892 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.584 -0.436 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.100 -0.322 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.070 0.975 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.962 -0.939 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.513 0.476 -9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.173 -1.137 -9.166 1.00 0.00 H new ATOM 1026 N LEU A 66 8.169 -0.670 -4.165 1.00 0.00 N ATOM 1027 CA LEU A 66 8.499 -0.067 -2.880 1.00 0.00 C ATOM 1028 C LEU A 66 9.999 -0.159 -2.606 1.00 0.00 C ATOM 1029 O LEU A 66 10.495 0.589 -1.761 1.00 0.00 O ATOM 1030 CB LEU A 66 7.711 -0.754 -1.759 1.00 0.00 C ATOM 1031 CG LEU A 66 6.197 -0.509 -1.860 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.403 -1.488 -1.017 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.822 0.888 -1.416 1.00 0.00 C ATOM 0 H LEU A 66 7.804 -1.621 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 66 8.223 0.987 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.904 -1.826 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.070 -0.393 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 66 5.951 -0.645 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.339 -1.277 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.605 -2.505 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.694 -1.387 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.744 1.020 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.123 1.033 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.329 1.619 -2.046 1.00 0.00 H new ATOM 1045 N SER A 67 10.694 -1.082 -3.276 1.00 0.00 N ATOM 1046 CA SER A 67 12.094 -1.395 -3.031 1.00 0.00 C ATOM 1047 C SER A 67 13.040 -0.453 -3.772 1.00 0.00 C ATOM 1048 O SER A 67 14.215 -0.348 -3.347 1.00 0.00 O ATOM 1049 CB SER A 67 12.325 -2.851 -3.455 1.00 0.00 C ATOM 1050 OG SER A 67 13.507 -3.321 -2.835 1.00 0.00 O ATOM 0 H SER A 67 10.283 -1.644 -4.022 1.00 0.00 H new ATOM 0 HA SER A 67 12.313 -1.262 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.475 -3.469 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.414 -2.919 -4.539 1.00 0.00 H new ATOM 0 HG SER A 67 13.666 -4.252 -3.097 1.00 0.00 H new