USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -3.09! C(o=-5.1!,f=-3.1!) USER MOD Single : A 20 THR OG1 : rot -67:sc= -1.86 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00568 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -65:sc= -7.94! USER MOD Single : A 44 MET CE :methyl -112:sc= -3.3! (180deg=-7.44!) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.3 F(o=-3.1!,f=-1.3) USER MOD Single : A 51 THR OG1 : rot -70:sc= -1.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.98 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.66) USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -0.358 (180deg=-1.61!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.387 2.063 -8.602 1.00 0.00 N ATOM 44 CA THR A 4 -10.161 2.194 -7.379 1.00 0.00 C ATOM 45 C THR A 4 -9.483 1.439 -6.234 1.00 0.00 C ATOM 46 O THR A 4 -8.550 0.670 -6.460 1.00 0.00 O ATOM 47 CB THR A 4 -11.584 1.711 -7.666 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.414 2.731 -7.117 1.00 0.00 O ATOM 49 CG2 THR A 4 -11.952 0.460 -6.865 1.00 0.00 C ATOM 0 HA THR A 4 -10.214 3.233 -7.055 1.00 0.00 H new ATOM 0 HB THR A 4 -11.688 1.503 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.355 2.499 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.972 0.160 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.266 -0.349 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.880 0.676 -5.799 1.00 0.00 H new ATOM 57 N GLN A 5 -9.978 1.685 -5.030 1.00 0.00 N ATOM 58 CA GLN A 5 -9.431 1.038 -3.850 1.00 0.00 C ATOM 59 C GLN A 5 -9.304 -0.469 -4.081 1.00 0.00 C ATOM 60 O GLN A 5 -8.196 -0.995 -4.174 1.00 0.00 O ATOM 61 CB GLN A 5 -10.287 1.333 -2.617 1.00 0.00 C ATOM 62 CG GLN A 5 -9.753 0.594 -1.388 1.00 0.00 C ATOM 63 CD GLN A 5 -8.698 1.429 -0.661 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.535 1.508 -1.300 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.926 1.967 0.410 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.752 2.323 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.436 1.443 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.296 2.406 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.318 1.034 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.575 0.369 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.321 -0.359 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.842 1.866 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.200 2.518 0.869 1.00 0.00 H new ATOM 72 N GLU A 6 -10.454 -1.121 -4.168 1.00 0.00 N ATOM 73 CA GLU A 6 -10.485 -2.557 -4.387 1.00 0.00 C ATOM 74 C GLU A 6 -9.581 -2.935 -5.562 1.00 0.00 C ATOM 75 O GLU A 6 -9.160 -4.085 -5.682 1.00 0.00 O ATOM 76 CB GLU A 6 -11.916 -3.045 -4.618 1.00 0.00 C ATOM 77 CG GLU A 6 -12.451 -3.780 -3.387 1.00 0.00 C ATOM 78 CD GLU A 6 -13.882 -3.343 -3.067 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.104 -2.190 -2.669 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.782 -4.250 -3.245 1.00 0.00 O ATOM 0 H GLU A 6 -11.371 -0.681 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.108 -3.050 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.561 -2.197 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.942 -3.709 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.426 -4.856 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.806 -3.581 -2.531 1.00 0.00 H new ATOM 86 N GLU A 7 -9.308 -1.945 -6.400 1.00 0.00 N ATOM 87 CA GLU A 7 -8.461 -2.159 -7.560 1.00 0.00 C ATOM 88 C GLU A 7 -6.994 -2.252 -7.137 1.00 0.00 C ATOM 89 O GLU A 7 -6.255 -3.106 -7.626 1.00 0.00 O ATOM 90 CB GLU A 7 -8.663 -1.054 -8.598 1.00 0.00 C ATOM 91 CG GLU A 7 -9.195 -1.626 -9.913 1.00 0.00 C ATOM 92 CD GLU A 7 -10.719 -1.524 -9.980 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.422 -2.256 -9.268 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.171 -0.642 -10.808 1.00 0.00 O ATOM 0 H GLU A 7 -9.659 -0.993 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.746 -3.104 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.361 -0.311 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.718 -0.541 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.754 -1.088 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.892 -2.669 -10.009 1.00 0.00 H new ATOM 100 N ILE A 8 -6.614 -1.361 -6.232 1.00 0.00 N ATOM 101 CA ILE A 8 -5.248 -1.331 -5.738 1.00 0.00 C ATOM 102 C ILE A 8 -5.149 -2.189 -4.475 1.00 0.00 C ATOM 103 O ILE A 8 -4.064 -2.368 -3.925 1.00 0.00 O ATOM 104 CB ILE A 8 -4.781 0.112 -5.539 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.339 1.025 -6.634 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.256 0.188 -5.453 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.108 2.497 -6.290 1.00 0.00 C ATOM 0 H ILE A 8 -7.229 -0.654 -5.828 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.568 -1.763 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.176 0.470 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.862 0.791 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.406 0.840 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.951 1.225 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.909 -0.411 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.820 -0.196 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.514 3.124 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.607 2.734 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.039 2.684 -6.191 1.00 0.00 H new ATOM 118 N ILE A 9 -6.298 -2.696 -4.051 1.00 0.00 N ATOM 119 CA ILE A 9 -6.354 -3.530 -2.863 1.00 0.00 C ATOM 120 C ILE A 9 -6.556 -4.989 -3.277 1.00 0.00 C ATOM 121 O ILE A 9 -5.961 -5.893 -2.692 1.00 0.00 O ATOM 122 CB ILE A 9 -7.420 -3.013 -1.894 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.085 -1.600 -1.413 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.620 -3.983 -0.729 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.679 -1.337 -0.027 1.00 0.00 C ATOM 0 H ILE A 9 -7.197 -2.545 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.411 -3.480 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.368 -2.954 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.003 -1.470 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.472 -0.869 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.383 -3.591 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.938 -4.952 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.682 -4.098 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.426 -0.326 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.763 -1.444 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.272 -2.054 0.686 1.00 0.00 H new ATOM 136 N ALA A 10 -7.398 -5.173 -4.284 1.00 0.00 N ATOM 137 CA ALA A 10 -7.686 -6.506 -4.784 1.00 0.00 C ATOM 138 C ALA A 10 -6.781 -6.803 -5.982 1.00 0.00 C ATOM 139 O ALA A 10 -6.284 -7.918 -6.127 1.00 0.00 O ATOM 140 CB ALA A 10 -9.171 -6.610 -5.136 1.00 0.00 C ATOM 0 H ALA A 10 -7.890 -4.421 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.479 -7.255 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.387 -7.610 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.770 -6.419 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.416 -5.875 -5.902 1.00 0.00 H new ATOM 146 N GLY A 11 -6.596 -5.786 -6.809 1.00 0.00 N ATOM 147 CA GLY A 11 -5.760 -5.924 -7.990 1.00 0.00 C ATOM 148 C GLY A 11 -4.300 -6.166 -7.603 1.00 0.00 C ATOM 149 O GLY A 11 -3.620 -6.988 -8.215 1.00 0.00 O ATOM 0 H GLY A 11 -7.010 -4.862 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.120 -6.752 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.834 -5.023 -8.599 1.00 0.00 H new ATOM 153 N ILE A 12 -3.861 -5.435 -6.588 1.00 0.00 N ATOM 154 CA ILE A 12 -2.494 -5.561 -6.112 1.00 0.00 C ATOM 155 C ILE A 12 -2.377 -6.808 -5.234 1.00 0.00 C ATOM 156 O ILE A 12 -1.480 -7.628 -5.429 1.00 0.00 O ATOM 157 CB ILE A 12 -2.050 -4.274 -5.415 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.894 -3.131 -6.420 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.772 -4.503 -4.605 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.737 -2.210 -6.028 1.00 0.00 C ATOM 0 H ILE A 12 -4.428 -4.754 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.809 -5.696 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.829 -3.980 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.718 -3.539 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.819 -2.557 -6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.477 -3.573 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.953 -5.266 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.026 -4.834 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.648 -1.406 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.928 -1.785 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.191 -2.782 -6.003 1.00 0.00 H new ATOM 171 N ALA A 13 -3.295 -6.913 -4.285 1.00 0.00 N ATOM 172 CA ALA A 13 -3.307 -8.047 -3.376 1.00 0.00 C ATOM 173 C ALA A 13 -2.976 -9.322 -4.154 1.00 0.00 C ATOM 174 O ALA A 13 -2.146 -10.120 -3.722 1.00 0.00 O ATOM 175 CB ALA A 13 -4.664 -8.126 -2.675 1.00 0.00 C ATOM 0 H ALA A 13 -4.037 -6.231 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.548 -7.927 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.672 -8.977 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.837 -7.209 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.451 -8.249 -3.419 1.00 0.00 H new ATOM 181 N GLU A 14 -3.644 -9.475 -5.288 1.00 0.00 N ATOM 182 CA GLU A 14 -3.432 -10.639 -6.131 1.00 0.00 C ATOM 183 C GLU A 14 -1.995 -10.659 -6.657 1.00 0.00 C ATOM 184 O GLU A 14 -1.364 -11.714 -6.706 1.00 0.00 O ATOM 185 CB GLU A 14 -4.438 -10.673 -7.283 1.00 0.00 C ATOM 186 CG GLU A 14 -5.820 -11.112 -6.791 1.00 0.00 C ATOM 187 CD GLU A 14 -6.883 -10.882 -7.867 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.867 -9.842 -8.541 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.748 -11.831 -7.991 1.00 0.00 O ATOM 0 H GLU A 14 -4.333 -8.812 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.590 -11.533 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.507 -9.686 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.089 -11.358 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.795 -12.167 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.083 -10.557 -5.890 1.00 0.00 H new ATOM 195 N ILE A 15 -1.521 -9.482 -7.036 1.00 0.00 N ATOM 196 CA ILE A 15 -0.171 -9.351 -7.556 1.00 0.00 C ATOM 197 C ILE A 15 0.831 -9.730 -6.464 1.00 0.00 C ATOM 198 O ILE A 15 1.798 -10.444 -6.724 1.00 0.00 O ATOM 199 CB ILE A 15 0.048 -7.950 -8.133 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.834 -7.721 -9.362 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.527 -7.707 -8.435 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.706 -6.281 -9.867 1.00 0.00 C ATOM 0 H ILE A 15 -2.048 -8.610 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.014 -10.040 -8.386 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.251 -7.219 -7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.549 -8.415 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.874 -7.932 -9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.655 -6.705 -8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.106 -7.801 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.876 -8.442 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.343 -6.144 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.015 -5.591 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.331 -6.081 -10.138 1.00 0.00 H new ATOM 213 N ILE A 16 0.565 -9.234 -5.264 1.00 0.00 N ATOM 214 CA ILE A 16 1.431 -9.511 -4.131 1.00 0.00 C ATOM 215 C ILE A 16 1.506 -11.024 -3.911 1.00 0.00 C ATOM 216 O ILE A 16 2.549 -11.546 -3.521 1.00 0.00 O ATOM 217 CB ILE A 16 0.967 -8.732 -2.899 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.820 -7.242 -3.214 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.901 -8.976 -1.711 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.528 -6.439 -1.946 1.00 0.00 C ATOM 0 H ILE A 16 -0.238 -8.642 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 16 2.445 -9.167 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.019 -9.100 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.734 -6.873 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.015 -7.097 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.548 -8.410 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.911 -10.039 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.910 -8.653 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.428 -5.383 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.399 -6.794 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.347 -6.567 -1.238 1.00 0.00 H new ATOM 231 N GLU A 17 0.388 -11.684 -4.170 1.00 0.00 N ATOM 232 CA GLU A 17 0.314 -13.125 -4.003 1.00 0.00 C ATOM 233 C GLU A 17 1.053 -13.829 -5.143 1.00 0.00 C ATOM 234 O GLU A 17 1.086 -15.057 -5.202 1.00 0.00 O ATOM 235 CB GLU A 17 -1.140 -13.594 -3.922 1.00 0.00 C ATOM 236 CG GLU A 17 -1.219 -15.067 -3.513 1.00 0.00 C ATOM 237 CD GLU A 17 -1.640 -15.941 -4.696 1.00 0.00 C ATOM 238 OE1 GLU A 17 -0.816 -16.695 -5.233 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.874 -15.820 -5.052 1.00 0.00 O ATOM 0 H GLU A 17 -0.475 -11.247 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 17 0.799 -13.388 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.683 -12.983 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.625 -13.455 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.250 -15.397 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.932 -15.184 -2.697 1.00 0.00 H new ATOM 245 N GLU A 18 1.629 -13.020 -6.020 1.00 0.00 N ATOM 246 CA GLU A 18 2.365 -13.550 -7.156 1.00 0.00 C ATOM 247 C GLU A 18 3.867 -13.330 -6.963 1.00 0.00 C ATOM 248 O GLU A 18 4.673 -14.200 -7.289 1.00 0.00 O ATOM 249 CB GLU A 18 1.883 -12.921 -8.464 1.00 0.00 C ATOM 250 CG GLU A 18 0.364 -13.042 -8.603 1.00 0.00 C ATOM 251 CD GLU A 18 -0.011 -13.821 -9.865 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.655 -13.679 -10.903 1.00 0.00 O ATOM 253 OE2 GLU A 18 -1.035 -14.596 -9.743 1.00 0.00 O ATOM 0 H GLU A 18 1.601 -12.002 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 18 2.178 -14.622 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.172 -11.870 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.369 -13.410 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.046 -13.544 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.082 -12.048 -8.639 1.00 0.00 H new ATOM 259 N VAL A 19 4.199 -12.161 -6.433 1.00 0.00 N ATOM 260 CA VAL A 19 5.589 -11.816 -6.193 1.00 0.00 C ATOM 261 C VAL A 19 6.020 -12.368 -4.832 1.00 0.00 C ATOM 262 O VAL A 19 6.931 -13.190 -4.753 1.00 0.00 O ATOM 263 CB VAL A 19 5.781 -10.303 -6.312 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.258 -9.949 -6.500 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.931 -9.730 -7.448 1.00 0.00 C ATOM 0 H VAL A 19 3.528 -11.441 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 19 6.231 -12.272 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 19 5.445 -9.849 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.365 -8.867 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.830 -10.307 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.632 -10.420 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.086 -8.653 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.222 -10.194 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.878 -9.934 -7.253 1.00 0.00 H new ATOM 275 N THR A 20 5.344 -11.893 -3.796 1.00 0.00 N ATOM 276 CA THR A 20 5.646 -12.329 -2.444 1.00 0.00 C ATOM 277 C THR A 20 4.970 -13.671 -2.153 1.00 0.00 C ATOM 278 O THR A 20 5.450 -14.445 -1.327 1.00 0.00 O ATOM 279 CB THR A 20 5.224 -11.216 -1.483 1.00 0.00 C ATOM 280 OG1 THR A 20 3.802 -11.198 -1.576 1.00 0.00 O ATOM 281 CG2 THR A 20 5.647 -9.829 -1.972 1.00 0.00 C ATOM 0 H THR A 20 4.589 -11.211 -3.866 1.00 0.00 H new ATOM 0 HA THR A 20 6.714 -12.503 -2.314 1.00 0.00 H new ATOM 0 HB THR A 20 5.656 -11.402 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.536 -10.894 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.323 -9.076 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.732 -9.793 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.188 -9.629 -2.940 1.00 0.00 H new ATOM 289 N GLY A 21 3.865 -13.904 -2.847 1.00 0.00 N ATOM 290 CA GLY A 21 3.119 -15.138 -2.674 1.00 0.00 C ATOM 291 C GLY A 21 2.255 -15.084 -1.411 1.00 0.00 C ATOM 292 O GLY A 21 1.894 -16.122 -0.857 1.00 0.00 O ATOM 0 H GLY A 21 3.469 -13.258 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.486 -15.310 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.810 -15.979 -2.611 1.00 0.00 H new ATOM 296 N ILE A 22 1.951 -13.864 -0.993 1.00 0.00 N ATOM 297 CA ILE A 22 1.137 -13.662 0.193 1.00 0.00 C ATOM 298 C ILE A 22 -0.343 -13.722 -0.191 1.00 0.00 C ATOM 299 O ILE A 22 -0.683 -13.664 -1.372 1.00 0.00 O ATOM 300 CB ILE A 22 1.537 -12.365 0.902 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.970 -12.447 1.427 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.539 -12.016 2.008 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.591 -11.053 1.547 1.00 0.00 C ATOM 0 H ILE A 22 2.254 -13.006 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 22 1.311 -14.460 0.915 1.00 0.00 H new ATOM 0 HB ILE A 22 1.508 -11.554 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.977 -12.937 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.572 -13.061 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.846 -11.091 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.453 -11.886 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.512 -12.822 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.611 -11.140 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.605 -10.575 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.000 -10.450 2.237 1.00 0.00 H new ATOM 314 N GLU A 23 -1.182 -13.838 0.828 1.00 0.00 N ATOM 315 CA GLU A 23 -2.617 -13.907 0.610 1.00 0.00 C ATOM 316 C GLU A 23 -3.133 -12.581 0.050 1.00 0.00 C ATOM 317 O GLU A 23 -2.593 -11.520 0.359 1.00 0.00 O ATOM 318 CB GLU A 23 -3.349 -14.279 1.901 1.00 0.00 C ATOM 319 CG GLU A 23 -3.863 -15.719 1.844 1.00 0.00 C ATOM 320 CD GLU A 23 -2.996 -16.644 2.702 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.779 -16.364 3.890 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.543 -17.687 2.092 1.00 0.00 O ATOM 0 H GLU A 23 -0.896 -13.886 1.806 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.817 -14.690 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.677 -14.162 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.184 -13.597 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.895 -15.755 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.863 -16.069 0.812 1.00 0.00 H new ATOM 328 N PRO A 24 -4.199 -12.686 -0.787 1.00 0.00 N ATOM 329 CA PRO A 24 -4.795 -11.508 -1.394 1.00 0.00 C ATOM 330 C PRO A 24 -5.629 -10.728 -0.375 1.00 0.00 C ATOM 331 O PRO A 24 -5.473 -9.516 -0.238 1.00 0.00 O ATOM 332 CB PRO A 24 -5.620 -12.038 -2.555 1.00 0.00 C ATOM 333 CG PRO A 24 -5.831 -13.517 -2.276 1.00 0.00 C ATOM 334 CD PRO A 24 -4.865 -13.927 -1.177 1.00 0.00 C ATOM 0 HA PRO A 24 -4.050 -10.794 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.573 -11.514 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.102 -11.889 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.860 -13.704 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.655 -14.104 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.391 -14.376 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.148 -14.666 -1.535 1.00 0.00 H new ATOM 339 N SER A 25 -6.494 -11.456 0.315 1.00 0.00 N ATOM 340 CA SER A 25 -7.352 -10.848 1.317 1.00 0.00 C ATOM 341 C SER A 25 -6.505 -10.297 2.466 1.00 0.00 C ATOM 342 O SER A 25 -6.929 -9.383 3.171 1.00 0.00 O ATOM 343 CB SER A 25 -8.377 -11.852 1.848 1.00 0.00 C ATOM 344 OG SER A 25 -9.703 -11.334 1.807 1.00 0.00 O ATOM 0 H SER A 25 -6.619 -12.462 0.200 1.00 0.00 H new ATOM 0 HA SER A 25 -7.896 -10.028 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.327 -12.767 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.124 -12.120 2.874 1.00 0.00 H new ATOM 0 HG SER A 25 -10.327 -12.006 2.153 1.00 0.00 H new ATOM 349 N GLU A 26 -5.323 -10.876 2.619 1.00 0.00 N ATOM 350 CA GLU A 26 -4.413 -10.453 3.670 1.00 0.00 C ATOM 351 C GLU A 26 -4.043 -8.980 3.491 1.00 0.00 C ATOM 352 O GLU A 26 -3.964 -8.233 4.465 1.00 0.00 O ATOM 353 CB GLU A 26 -3.161 -11.334 3.697 1.00 0.00 C ATOM 354 CG GLU A 26 -2.516 -11.325 5.085 1.00 0.00 C ATOM 355 CD GLU A 26 -1.075 -11.837 5.021 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.132 -11.032 5.011 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.954 -13.120 4.982 1.00 0.00 O ATOM 0 H GLU A 26 -4.975 -11.634 2.033 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.918 -10.566 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.424 -12.355 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.445 -10.978 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.529 -10.313 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.098 -11.948 5.765 1.00 0.00 H new ATOM 363 N ILE A 27 -3.826 -8.604 2.239 1.00 0.00 N ATOM 364 CA ILE A 27 -3.466 -7.233 1.921 1.00 0.00 C ATOM 365 C ILE A 27 -4.594 -6.299 2.364 1.00 0.00 C ATOM 366 O ILE A 27 -5.763 -6.683 2.355 1.00 0.00 O ATOM 367 CB ILE A 27 -3.107 -7.104 0.439 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.659 -7.529 0.187 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.386 -5.689 -0.072 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.258 -8.684 1.107 1.00 0.00 C ATOM 0 H ILE A 27 -3.893 -9.225 1.433 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.572 -6.936 2.469 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.745 -7.782 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.541 -7.831 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.994 -6.681 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.122 -5.625 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.444 -5.459 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.791 -4.973 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.224 -8.966 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.354 -8.371 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.910 -9.538 0.923 1.00 0.00 H new ATOM 381 N THR A 28 -4.204 -5.089 2.738 1.00 0.00 N ATOM 382 CA THR A 28 -5.167 -4.097 3.183 1.00 0.00 C ATOM 383 C THR A 28 -4.530 -2.706 3.204 1.00 0.00 C ATOM 384 O THR A 28 -3.310 -2.578 3.117 1.00 0.00 O ATOM 385 CB THR A 28 -5.706 -4.538 4.546 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.634 -5.281 5.119 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.842 -5.557 4.424 1.00 0.00 C ATOM 0 H THR A 28 -3.234 -4.774 2.742 1.00 0.00 H new ATOM 0 HA THR A 28 -6.007 -4.025 2.492 1.00 0.00 H new ATOM 0 HB THR A 28 -6.058 -3.666 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.897 -5.604 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.188 -5.837 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.667 -5.117 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.481 -6.444 3.903 1.00 0.00 H new ATOM 395 N PRO A 29 -5.408 -1.674 3.321 1.00 0.00 N ATOM 396 CA PRO A 29 -4.943 -0.297 3.354 1.00 0.00 C ATOM 397 C PRO A 29 -4.314 0.037 4.708 1.00 0.00 C ATOM 398 O PRO A 29 -4.608 1.079 5.293 1.00 0.00 O ATOM 399 CB PRO A 29 -6.174 0.540 3.048 1.00 0.00 C ATOM 400 CG PRO A 29 -7.369 -0.361 3.314 1.00 0.00 C ATOM 401 CD PRO A 29 -6.859 -1.789 3.426 1.00 0.00 C ATOM 0 HA PRO A 29 -4.154 -0.101 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.208 1.429 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.166 0.882 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.875 -0.063 4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.097 -0.278 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.153 -2.241 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.265 -2.418 2.633 1.00 0.00 H new ATOM 406 N GLU A 30 -3.460 -0.866 5.167 1.00 0.00 N ATOM 407 CA GLU A 30 -2.788 -0.679 6.441 1.00 0.00 C ATOM 408 C GLU A 30 -1.309 -1.056 6.320 1.00 0.00 C ATOM 409 O GLU A 30 -0.476 -0.565 7.081 1.00 0.00 O ATOM 410 CB GLU A 30 -3.470 -1.488 7.546 1.00 0.00 C ATOM 411 CG GLU A 30 -4.882 -0.964 7.816 1.00 0.00 C ATOM 412 CD GLU A 30 -4.932 -0.172 9.124 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.459 -0.661 10.162 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.485 0.989 9.038 1.00 0.00 O ATOM 0 H GLU A 30 -3.218 -1.729 4.679 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.855 0.374 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.517 -2.538 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.877 -1.435 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.202 -0.329 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.580 -1.799 7.866 1.00 0.00 H new ATOM 420 N LYS A 31 -1.028 -1.923 5.359 1.00 0.00 N ATOM 421 CA LYS A 31 0.334 -2.370 5.129 1.00 0.00 C ATOM 422 C LYS A 31 1.279 -1.169 5.194 1.00 0.00 C ATOM 423 O LYS A 31 0.839 -0.022 5.111 1.00 0.00 O ATOM 424 CB LYS A 31 0.428 -3.154 3.818 1.00 0.00 C ATOM 425 CG LYS A 31 -0.520 -4.356 3.831 1.00 0.00 C ATOM 426 CD LYS A 31 0.241 -5.656 3.563 1.00 0.00 C ATOM 427 CE LYS A 31 -0.033 -6.687 4.659 1.00 0.00 C ATOM 428 NZ LYS A 31 0.916 -7.818 4.556 1.00 0.00 N ATOM 0 H LYS A 31 -1.721 -2.328 4.730 1.00 0.00 H new ATOM 0 HA LYS A 31 0.643 -3.063 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.182 -2.501 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.452 -3.495 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.023 -4.417 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.295 -4.221 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.054 -6.062 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.310 -5.451 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.057 -6.218 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.056 -7.054 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.716 -8.509 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.811 -8.276 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.889 -7.465 4.660 1.00 0.00 H new ATOM 437 N SER A 32 2.561 -1.471 5.342 1.00 0.00 N ATOM 438 CA SER A 32 3.571 -0.430 5.420 1.00 0.00 C ATOM 439 C SER A 32 4.642 -0.659 4.351 1.00 0.00 C ATOM 440 O SER A 32 5.712 -0.053 4.399 1.00 0.00 O ATOM 441 CB SER A 32 4.210 -0.384 6.809 1.00 0.00 C ATOM 442 OG SER A 32 4.387 0.953 7.272 1.00 0.00 O ATOM 0 H SER A 32 2.923 -2.422 5.410 1.00 0.00 H new ATOM 0 HA SER A 32 3.086 0.530 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.585 -0.932 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.176 -0.889 6.781 1.00 0.00 H new ATOM 0 HG SER A 32 4.796 0.939 8.162 1.00 0.00 H new ATOM 447 N PHE A 33 4.317 -1.535 3.412 1.00 0.00 N ATOM 448 CA PHE A 33 5.237 -1.851 2.333 1.00 0.00 C ATOM 449 C PHE A 33 6.293 -2.861 2.791 1.00 0.00 C ATOM 450 O PHE A 33 6.703 -3.728 2.022 1.00 0.00 O ATOM 451 CB PHE A 33 5.933 -0.547 1.940 1.00 0.00 C ATOM 452 CG PHE A 33 6.181 -0.401 0.438 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.308 -0.920 -0.118 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.274 0.247 -0.341 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.538 -0.784 -1.514 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.504 0.383 -1.736 1.00 0.00 C ATOM 457 CZ PHE A 33 6.632 -0.136 -2.292 1.00 0.00 C ATOM 0 H PHE A 33 3.429 -2.036 3.376 1.00 0.00 H new ATOM 0 HA PHE A 33 4.692 -2.289 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.327 0.293 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.887 -0.485 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.028 -1.435 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.379 0.658 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.433 -1.196 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.784 0.898 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.807 -0.033 -3.353 1.00 0.00 H new ATOM 466 N VAL A 34 6.702 -2.713 4.043 1.00 0.00 N ATOM 467 CA VAL A 34 7.702 -3.600 4.613 1.00 0.00 C ATOM 468 C VAL A 34 7.286 -3.983 6.034 1.00 0.00 C ATOM 469 O VAL A 34 7.160 -5.166 6.351 1.00 0.00 O ATOM 470 CB VAL A 34 9.082 -2.942 4.551 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.793 -3.034 5.902 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.933 -3.559 3.439 1.00 0.00 C ATOM 0 H VAL A 34 6.359 -1.992 4.678 1.00 0.00 H new ATOM 0 HA VAL A 34 7.770 -4.521 4.034 1.00 0.00 H new ATOM 0 HB VAL A 34 8.941 -1.887 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.772 -2.559 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.198 -2.527 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.917 -4.081 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.909 -3.074 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.062 -4.625 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.435 -3.419 2.479 1.00 0.00 H new ATOM 482 N ASP A 35 7.083 -2.963 6.853 1.00 0.00 N ATOM 483 CA ASP A 35 6.683 -3.177 8.234 1.00 0.00 C ATOM 484 C ASP A 35 5.706 -4.353 8.300 1.00 0.00 C ATOM 485 O ASP A 35 5.678 -5.087 9.286 1.00 0.00 O ATOM 486 CB ASP A 35 5.978 -1.944 8.802 1.00 0.00 C ATOM 487 CG ASP A 35 6.063 -1.794 10.322 1.00 0.00 C ATOM 488 OD1 ASP A 35 5.947 -2.779 11.067 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.259 -0.590 10.742 1.00 0.00 O ATOM 0 H ASP A 35 7.188 -1.984 6.587 1.00 0.00 H new ATOM 0 HA ASP A 35 7.581 -3.378 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.406 -1.054 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.927 -1.980 8.514 1.00 0.00 H new ATOM 494 N ASP A 36 4.929 -4.495 7.237 1.00 0.00 N ATOM 495 CA ASP A 36 3.952 -5.569 7.162 1.00 0.00 C ATOM 496 C ASP A 36 4.456 -6.644 6.197 1.00 0.00 C ATOM 497 O ASP A 36 4.775 -7.757 6.615 1.00 0.00 O ATOM 498 CB ASP A 36 2.609 -5.057 6.637 1.00 0.00 C ATOM 499 CG ASP A 36 1.412 -5.335 7.547 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.842 -4.414 8.154 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.060 -6.574 7.623 1.00 0.00 O ATOM 0 H ASP A 36 4.956 -3.885 6.420 1.00 0.00 H new ATOM 0 HA ASP A 36 3.817 -5.972 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.684 -3.981 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.420 -5.510 5.664 1.00 0.00 H new ATOM 506 N LEU A 37 4.513 -6.275 4.926 1.00 0.00 N ATOM 507 CA LEU A 37 4.973 -7.195 3.900 1.00 0.00 C ATOM 508 C LEU A 37 6.162 -7.995 4.434 1.00 0.00 C ATOM 509 O LEU A 37 6.144 -9.226 4.417 1.00 0.00 O ATOM 510 CB LEU A 37 5.273 -6.442 2.601 1.00 0.00 C ATOM 511 CG LEU A 37 4.061 -5.876 1.859 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.489 -5.152 0.581 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.030 -6.971 1.578 1.00 0.00 C ATOM 0 H LEU A 37 4.248 -5.351 4.583 1.00 0.00 H new ATOM 0 HA LEU A 37 4.190 -7.912 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.951 -5.620 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.804 -7.115 1.928 1.00 0.00 H new ATOM 0 HG LEU A 37 3.581 -5.138 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.608 -4.759 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.158 -4.330 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.006 -5.850 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.178 -6.542 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.484 -7.749 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.692 -7.403 2.520 1.00 0.00 H new ATOM 524 N ASP A 38 7.167 -7.266 4.896 1.00 0.00 N ATOM 525 CA ASP A 38 8.362 -7.893 5.434 1.00 0.00 C ATOM 526 C ASP A 38 9.117 -8.596 4.304 1.00 0.00 C ATOM 527 O ASP A 38 10.022 -9.390 4.558 1.00 0.00 O ATOM 528 CB ASP A 38 8.005 -8.943 6.490 1.00 0.00 C ATOM 529 CG ASP A 38 8.954 -9.004 7.687 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.887 -8.167 8.599 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.803 -9.975 7.661 1.00 0.00 O ATOM 0 H ASP A 38 7.178 -6.246 4.909 1.00 0.00 H new ATOM 0 HA ASP A 38 8.975 -7.116 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.997 -8.742 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.982 -9.923 6.013 1.00 0.00 H new ATOM 536 N ILE A 39 8.718 -8.278 3.082 1.00 0.00 N ATOM 537 CA ILE A 39 9.346 -8.869 1.913 1.00 0.00 C ATOM 538 C ILE A 39 10.450 -7.939 1.407 1.00 0.00 C ATOM 539 O ILE A 39 11.310 -8.355 0.630 1.00 0.00 O ATOM 540 CB ILE A 39 8.294 -9.208 0.854 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.689 -10.463 0.071 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.041 -8.014 -0.068 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.072 -10.302 -0.562 1.00 0.00 C ATOM 0 H ILE A 39 7.968 -7.619 2.876 1.00 0.00 H new ATOM 0 HA ILE A 39 9.820 -9.815 2.173 1.00 0.00 H new ATOM 0 HB ILE A 39 7.355 -9.428 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.688 -11.326 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.950 -10.659 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.290 -8.281 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.685 -7.169 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.968 -7.740 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.328 -11.208 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.063 -9.453 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.812 -10.131 0.220 1.00 0.00 H new ATOM 554 N ASP A 40 10.392 -6.699 1.868 1.00 0.00 N ATOM 555 CA ASP A 40 11.377 -5.707 1.472 1.00 0.00 C ATOM 556 C ASP A 40 10.909 -5.012 0.192 1.00 0.00 C ATOM 557 O ASP A 40 9.776 -5.207 -0.245 1.00 0.00 O ATOM 558 CB ASP A 40 12.732 -6.358 1.188 1.00 0.00 C ATOM 559 CG ASP A 40 13.946 -5.460 1.436 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.534 -4.907 0.495 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.289 -5.336 2.674 1.00 0.00 O ATOM 0 H ASP A 40 9.678 -6.358 2.512 1.00 0.00 H new ATOM 0 HA ASP A 40 11.484 -4.994 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.826 -7.250 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.749 -6.688 0.149 1.00 0.00 H new ATOM 566 N SER A 41 11.804 -4.215 -0.372 1.00 0.00 N ATOM 567 CA SER A 41 11.498 -3.491 -1.594 1.00 0.00 C ATOM 568 C SER A 41 11.834 -4.352 -2.813 1.00 0.00 C ATOM 569 O SER A 41 11.646 -3.925 -3.951 1.00 0.00 O ATOM 570 CB SER A 41 12.258 -2.165 -1.654 1.00 0.00 C ATOM 571 OG SER A 41 13.640 -2.355 -1.947 1.00 0.00 O ATOM 0 H SER A 41 12.742 -4.054 -0.005 1.00 0.00 H new ATOM 0 HA SER A 41 10.431 -3.268 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.811 -1.525 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.157 -1.646 -0.701 1.00 0.00 H new ATOM 0 HG SER A 41 14.090 -1.485 -1.978 1.00 0.00 H new ATOM 576 N LEU A 42 12.327 -5.550 -2.532 1.00 0.00 N ATOM 577 CA LEU A 42 12.693 -6.475 -3.591 1.00 0.00 C ATOM 578 C LEU A 42 11.432 -6.905 -4.344 1.00 0.00 C ATOM 579 O LEU A 42 11.251 -6.556 -5.510 1.00 0.00 O ATOM 580 CB LEU A 42 13.501 -7.645 -3.026 1.00 0.00 C ATOM 581 CG LEU A 42 14.948 -7.757 -3.511 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.871 -8.217 -2.381 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.047 -8.666 -4.738 1.00 0.00 C ATOM 0 H LEU A 42 12.481 -5.901 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 42 13.347 -5.987 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.508 -7.564 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.983 -8.572 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 42 15.283 -6.766 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.893 -8.288 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.831 -7.497 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.547 -9.193 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.086 -8.728 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.686 -9.662 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.439 -8.256 -5.545 1.00 0.00 H new ATOM 594 N SER A 43 10.594 -7.658 -3.647 1.00 0.00 N ATOM 595 CA SER A 43 9.355 -8.140 -4.235 1.00 0.00 C ATOM 596 C SER A 43 8.427 -6.962 -4.540 1.00 0.00 C ATOM 597 O SER A 43 7.901 -6.853 -5.646 1.00 0.00 O ATOM 598 CB SER A 43 8.657 -9.139 -3.310 1.00 0.00 C ATOM 599 OG SER A 43 7.561 -9.784 -3.950 1.00 0.00 O ATOM 0 H SER A 43 10.748 -7.946 -2.681 1.00 0.00 H new ATOM 0 HA SER A 43 9.596 -8.655 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.375 -9.889 -2.978 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.303 -8.621 -2.419 1.00 0.00 H new ATOM 0 HG SER A 43 6.866 -9.123 -4.154 1.00 0.00 H new ATOM 604 N MET A 44 8.256 -6.110 -3.541 1.00 0.00 N ATOM 605 CA MET A 44 7.402 -4.944 -3.688 1.00 0.00 C ATOM 606 C MET A 44 7.690 -4.216 -5.002 1.00 0.00 C ATOM 607 O MET A 44 6.784 -3.659 -5.620 1.00 0.00 O ATOM 608 CB MET A 44 7.631 -3.991 -2.514 1.00 0.00 C ATOM 609 CG MET A 44 6.564 -4.183 -1.435 1.00 0.00 C ATOM 610 SD MET A 44 5.411 -2.820 -1.467 1.00 0.00 S ATOM 611 CE MET A 44 3.941 -3.670 -2.017 1.00 0.00 C ATOM 0 H MET A 44 8.695 -6.204 -2.625 1.00 0.00 H new ATOM 0 HA MET A 44 6.364 -5.276 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.619 -4.164 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.613 -2.961 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.035 -5.122 -1.598 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.035 -4.249 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.681 -3.334 -3.021 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.125 -4.744 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.118 -3.451 -1.337 1.00 0.00 H new ATOM 619 N VAL A 45 8.957 -4.243 -5.391 1.00 0.00 N ATOM 620 CA VAL A 45 9.377 -3.591 -6.620 1.00 0.00 C ATOM 621 C VAL A 45 8.655 -4.236 -7.805 1.00 0.00 C ATOM 622 O VAL A 45 8.311 -3.556 -8.771 1.00 0.00 O ATOM 623 CB VAL A 45 10.901 -3.646 -6.747 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.320 -3.926 -8.191 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.540 -2.356 -6.229 1.00 0.00 C ATOM 0 H VAL A 45 9.706 -4.706 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 45 9.103 -2.536 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 45 11.261 -4.469 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.408 -3.960 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.908 -4.883 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.944 -3.135 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.623 -2.420 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.171 -1.509 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.281 -2.218 -5.179 1.00 0.00 H new ATOM 635 N GLU A 46 8.447 -5.539 -7.693 1.00 0.00 N ATOM 636 CA GLU A 46 7.772 -6.283 -8.744 1.00 0.00 C ATOM 637 C GLU A 46 6.281 -5.940 -8.762 1.00 0.00 C ATOM 638 O GLU A 46 5.746 -5.537 -9.795 1.00 0.00 O ATOM 639 CB GLU A 46 7.987 -7.788 -8.574 1.00 0.00 C ATOM 640 CG GLU A 46 8.698 -8.381 -9.792 1.00 0.00 C ATOM 641 CD GLU A 46 10.218 -8.274 -9.645 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.724 -7.238 -9.190 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.877 -9.317 -10.022 1.00 0.00 O ATOM 0 H GLU A 46 8.734 -6.100 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 46 8.203 -5.994 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.577 -7.976 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.026 -8.283 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.413 -9.426 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.379 -7.859 -10.694 1.00 0.00 H new ATOM 649 N ILE A 47 5.652 -6.112 -7.609 1.00 0.00 N ATOM 650 CA ILE A 47 4.233 -5.825 -7.481 1.00 0.00 C ATOM 651 C ILE A 47 3.909 -4.532 -8.229 1.00 0.00 C ATOM 652 O ILE A 47 2.888 -4.444 -8.910 1.00 0.00 O ATOM 653 CB ILE A 47 3.823 -5.802 -6.007 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.615 -7.220 -5.473 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.588 -4.924 -5.795 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.259 -7.387 -4.095 1.00 0.00 C ATOM 0 H ILE A 47 6.098 -6.446 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 47 3.641 -6.616 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 47 4.637 -5.358 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.548 -7.435 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.044 -7.941 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.318 -4.925 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.807 -3.905 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.758 -5.316 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.096 -8.404 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.329 -7.195 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.810 -6.681 -3.396 1.00 0.00 H new ATOM 667 N ALA A 48 4.796 -3.560 -8.080 1.00 0.00 N ATOM 668 CA ALA A 48 4.617 -2.274 -8.734 1.00 0.00 C ATOM 669 C ALA A 48 4.935 -2.416 -10.224 1.00 0.00 C ATOM 670 O ALA A 48 4.138 -2.022 -11.073 1.00 0.00 O ATOM 671 CB ALA A 48 5.494 -1.226 -8.048 1.00 0.00 C ATOM 0 H ALA A 48 5.642 -3.637 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 48 3.583 -1.940 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.360 -0.262 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.208 -1.143 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.540 -1.525 -8.117 1.00 0.00 H new ATOM 677 N VAL A 49 6.102 -2.981 -10.496 1.00 0.00 N ATOM 678 CA VAL A 49 6.535 -3.181 -11.868 1.00 0.00 C ATOM 679 C VAL A 49 5.385 -3.778 -12.680 1.00 0.00 C ATOM 680 O VAL A 49 5.325 -3.607 -13.897 1.00 0.00 O ATOM 681 CB VAL A 49 7.798 -4.044 -11.898 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.458 -5.502 -12.210 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.816 -3.492 -12.898 1.00 0.00 C ATOM 0 H VAL A 49 6.761 -3.307 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 49 6.797 -2.228 -12.328 1.00 0.00 H new ATOM 0 HB VAL A 49 8.250 -4.010 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.373 -6.094 -12.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.787 -5.891 -11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.971 -5.562 -13.183 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.704 -4.124 -12.899 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.377 -3.481 -13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.093 -2.477 -12.612 1.00 0.00 H new ATOM 693 N GLN A 50 4.498 -4.465 -11.975 1.00 0.00 N ATOM 694 CA GLN A 50 3.353 -5.088 -12.615 1.00 0.00 C ATOM 695 C GLN A 50 2.177 -4.109 -12.669 1.00 0.00 C ATOM 696 O GLN A 50 1.701 -3.765 -13.748 1.00 0.00 O ATOM 697 CB GLN A 50 2.957 -6.380 -11.896 1.00 0.00 C ATOM 698 CG GLN A 50 4.121 -7.374 -11.878 1.00 0.00 C ATOM 699 CD GLN A 50 3.651 -8.759 -11.429 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.778 -8.978 -10.124 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 3.201 -9.576 -12.217 1.00 0.00 N flip ATOM 0 H GLN A 50 4.550 -4.604 -10.966 1.00 0.00 H new ATOM 0 HA GLN A 50 3.631 -5.350 -13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.651 -6.153 -10.875 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.098 -6.829 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.563 -7.440 -12.872 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.901 -7.015 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.130 -9.344 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.896 -10.491 -11.885 1.00 0.00 H new ATOM 708 N THR A 51 1.744 -3.689 -11.489 1.00 0.00 N ATOM 709 CA THR A 51 0.635 -2.757 -11.388 1.00 0.00 C ATOM 710 C THR A 51 0.880 -1.537 -12.276 1.00 0.00 C ATOM 711 O THR A 51 -0.047 -1.020 -12.898 1.00 0.00 O ATOM 712 CB THR A 51 0.446 -2.405 -9.910 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.450 -3.403 -9.427 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.318 -1.094 -9.713 1.00 0.00 C ATOM 0 H THR A 51 2.142 -3.977 -10.595 1.00 0.00 H new ATOM 0 HA THR A 51 -0.290 -3.203 -11.752 1.00 0.00 H new ATOM 0 HB THR A 51 1.421 -2.334 -9.427 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.340 -3.256 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.424 -0.891 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.231 -0.279 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.306 -1.177 -10.167 1.00 0.00 H new ATOM 722 N GLU A 52 2.134 -1.111 -12.309 1.00 0.00 N ATOM 723 CA GLU A 52 2.514 0.040 -13.111 1.00 0.00 C ATOM 724 C GLU A 52 2.550 -0.336 -14.594 1.00 0.00 C ATOM 725 O GLU A 52 2.824 0.508 -15.445 1.00 0.00 O ATOM 726 CB GLU A 52 3.861 0.605 -12.655 1.00 0.00 C ATOM 727 CG GLU A 52 3.716 1.371 -11.339 1.00 0.00 C ATOM 728 CD GLU A 52 4.960 1.197 -10.464 1.00 0.00 C ATOM 729 OE1 GLU A 52 6.089 1.282 -10.969 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.721 0.968 -9.217 1.00 0.00 O ATOM 0 H GLU A 52 2.901 -1.543 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 52 1.765 0.819 -12.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.577 -0.207 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.261 1.267 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.557 2.429 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.837 1.016 -10.802 1.00 0.00 H new ATOM 736 N ASP A 53 2.272 -1.604 -14.857 1.00 0.00 N ATOM 737 CA ASP A 53 2.269 -2.103 -16.222 1.00 0.00 C ATOM 738 C ASP A 53 0.867 -2.604 -16.574 1.00 0.00 C ATOM 739 O ASP A 53 0.216 -2.062 -17.466 1.00 0.00 O ATOM 740 CB ASP A 53 3.244 -3.271 -16.384 1.00 0.00 C ATOM 741 CG ASP A 53 4.210 -3.148 -17.563 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.923 -3.615 -18.676 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.314 -2.534 -17.303 1.00 0.00 O ATOM 0 H ASP A 53 2.047 -2.302 -14.148 1.00 0.00 H new ATOM 0 HA ASP A 53 2.571 -1.288 -16.880 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.825 -3.370 -15.467 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.670 -4.191 -16.498 1.00 0.00 H new ATOM 748 N LYS A 54 0.445 -3.635 -15.857 1.00 0.00 N ATOM 749 CA LYS A 54 -0.869 -4.216 -16.083 1.00 0.00 C ATOM 750 C LYS A 54 -1.897 -3.094 -16.245 1.00 0.00 C ATOM 751 O LYS A 54 -2.779 -3.174 -17.097 1.00 0.00 O ATOM 752 CB LYS A 54 -1.212 -5.210 -14.972 1.00 0.00 C ATOM 753 CG LYS A 54 -0.814 -6.633 -15.369 1.00 0.00 C ATOM 754 CD LYS A 54 -0.621 -7.512 -14.132 1.00 0.00 C ATOM 755 CE LYS A 54 -1.370 -8.838 -14.279 1.00 0.00 C ATOM 756 NZ LYS A 54 -0.419 -9.973 -14.295 1.00 0.00 N ATOM 0 H LYS A 54 0.989 -4.083 -15.120 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.878 -4.792 -17.008 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.697 -4.927 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.281 -5.172 -14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.583 -7.064 -16.010 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.108 -6.608 -15.950 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.441 -7.705 -13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.978 -6.985 -13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.074 -8.958 -13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.954 -8.832 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.945 -10.865 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.236 -9.865 -15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.120 -9.987 -13.406 1.00 0.00 H new ATOM 765 N TYR A 55 -1.748 -2.074 -15.413 1.00 0.00 N ATOM 766 CA TYR A 55 -2.653 -0.938 -15.452 1.00 0.00 C ATOM 767 C TYR A 55 -1.982 0.275 -16.102 1.00 0.00 C ATOM 768 O TYR A 55 -2.568 0.924 -16.967 1.00 0.00 O ATOM 769 CB TYR A 55 -2.977 -0.606 -13.995 1.00 0.00 C ATOM 770 CG TYR A 55 -4.342 -1.118 -13.530 1.00 0.00 C ATOM 771 CD1 TYR A 55 -4.611 -2.471 -13.535 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.306 -0.225 -13.104 1.00 0.00 C ATOM 773 CE1 TYR A 55 -5.895 -2.952 -13.098 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.590 -0.706 -12.667 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.821 -2.046 -12.685 1.00 0.00 C ATOM 776 OH TYR A 55 -8.036 -2.501 -12.271 1.00 0.00 O ATOM 0 H TYR A 55 -1.014 -2.010 -14.708 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.543 -1.177 -16.034 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.204 -1.031 -13.355 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.941 0.475 -13.863 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.857 -3.170 -13.867 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.096 0.834 -13.099 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.118 -4.009 -13.098 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.353 -0.018 -12.332 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.936 -3.396 -11.885 1.00 0.00 H new ATOM 785 N GLY A 56 -0.763 0.544 -15.659 1.00 0.00 N ATOM 786 CA GLY A 56 -0.006 1.667 -16.186 1.00 0.00 C ATOM 787 C GLY A 56 -0.057 2.859 -15.229 1.00 0.00 C ATOM 788 O GLY A 56 -0.102 4.008 -15.665 1.00 0.00 O ATOM 0 H GLY A 56 -0.280 0.004 -14.941 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.030 1.369 -16.346 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.408 1.958 -17.157 1.00 0.00 H new ATOM 792 N VAL A 57 -0.048 2.545 -13.942 1.00 0.00 N ATOM 793 CA VAL A 57 -0.093 3.577 -12.920 1.00 0.00 C ATOM 794 C VAL A 57 1.262 4.286 -12.857 1.00 0.00 C ATOM 795 O VAL A 57 2.297 3.683 -13.140 1.00 0.00 O ATOM 796 CB VAL A 57 -0.510 2.968 -11.579 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.827 2.200 -11.714 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.593 2.072 -11.017 1.00 0.00 C ATOM 0 H VAL A 57 -0.010 1.591 -13.583 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.843 4.328 -13.169 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.668 3.784 -10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.102 1.777 -10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.611 2.879 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.707 1.397 -12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.271 1.652 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.798 1.264 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.498 2.660 -10.867 1.00 0.00 H new ATOM 808 N LYS A 58 1.213 5.557 -12.484 1.00 0.00 N ATOM 809 CA LYS A 58 2.423 6.354 -12.380 1.00 0.00 C ATOM 810 C LYS A 58 2.940 6.303 -10.942 1.00 0.00 C ATOM 811 O LYS A 58 2.479 7.056 -10.086 1.00 0.00 O ATOM 812 CB LYS A 58 2.175 7.773 -12.896 1.00 0.00 C ATOM 813 CG LYS A 58 1.145 8.499 -12.027 1.00 0.00 C ATOM 814 CD LYS A 58 0.038 9.114 -12.888 1.00 0.00 C ATOM 815 CE LYS A 58 -1.243 8.281 -12.811 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.590 7.738 -14.143 1.00 0.00 N ATOM 0 H LYS A 58 0.354 6.054 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 58 3.207 5.942 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.111 8.331 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.823 7.733 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.709 7.800 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.638 9.281 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.165 10.131 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.372 9.179 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.110 7.464 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.062 8.896 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.462 7.175 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.737 8.522 -14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.815 7.134 -14.484 1.00 0.00 H new ATOM 825 N ILE A 59 3.892 5.408 -10.721 1.00 0.00 N ATOM 826 CA ILE A 59 4.477 5.250 -9.400 1.00 0.00 C ATOM 827 C ILE A 59 5.971 4.945 -9.543 1.00 0.00 C ATOM 828 O ILE A 59 6.406 3.824 -9.286 1.00 0.00 O ATOM 829 CB ILE A 59 3.710 4.199 -8.596 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.233 4.577 -8.470 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.361 3.968 -7.232 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.495 3.609 -7.542 1.00 0.00 C ATOM 0 H ILE A 59 4.272 4.785 -11.434 1.00 0.00 H new ATOM 0 HA ILE A 59 4.392 6.176 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 59 3.756 3.254 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.146 5.593 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.767 4.568 -9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.795 3.216 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.385 3.621 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.367 4.901 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.447 3.901 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.563 2.598 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.948 3.638 -6.551 1.00 0.00 H new ATOM 843 N PRO A 60 6.733 5.990 -9.961 1.00 0.00 N ATOM 844 CA PRO A 60 8.168 5.846 -10.140 1.00 0.00 C ATOM 845 C PRO A 60 8.889 5.815 -8.791 1.00 0.00 C ATOM 846 O PRO A 60 8.291 6.111 -7.757 1.00 0.00 O ATOM 847 CB PRO A 60 8.577 7.026 -11.005 1.00 0.00 C ATOM 848 CG PRO A 60 7.447 8.036 -10.893 1.00 0.00 C ATOM 849 CD PRO A 60 6.252 7.333 -10.274 1.00 0.00 C ATOM 0 HA PRO A 60 8.440 4.905 -10.619 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.519 7.454 -10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.725 6.719 -12.040 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.752 8.883 -10.278 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.190 8.432 -11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.909 7.850 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.410 7.301 -10.965 1.00 0.00 H new ATOM 854 N ASP A 61 10.162 5.455 -8.844 1.00 0.00 N ATOM 855 CA ASP A 61 10.971 5.382 -7.639 1.00 0.00 C ATOM 856 C ASP A 61 10.912 6.726 -6.909 1.00 0.00 C ATOM 857 O ASP A 61 10.814 6.767 -5.683 1.00 0.00 O ATOM 858 CB ASP A 61 12.434 5.091 -7.975 1.00 0.00 C ATOM 859 CG ASP A 61 12.896 3.664 -7.669 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.727 2.749 -8.487 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.459 3.509 -6.518 1.00 0.00 O ATOM 0 H ASP A 61 10.654 5.210 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 61 10.577 4.579 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.594 5.289 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.064 5.787 -7.421 1.00 0.00 H new ATOM 866 N GLU A 62 10.974 7.792 -7.692 1.00 0.00 N ATOM 867 CA GLU A 62 10.929 9.134 -7.135 1.00 0.00 C ATOM 868 C GLU A 62 9.731 9.279 -6.196 1.00 0.00 C ATOM 869 O GLU A 62 9.710 10.164 -5.343 1.00 0.00 O ATOM 870 CB GLU A 62 10.887 10.187 -8.245 1.00 0.00 C ATOM 871 CG GLU A 62 12.190 10.194 -9.046 1.00 0.00 C ATOM 872 CD GLU A 62 12.582 11.618 -9.443 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.137 12.584 -8.806 1.00 0.00 O ATOM 874 OE2 GLU A 62 13.380 11.703 -10.453 1.00 0.00 O ATOM 0 H GLU A 62 11.055 7.755 -8.708 1.00 0.00 H new ATOM 0 HA GLU A 62 11.839 9.298 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.048 9.985 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.718 11.172 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.987 9.745 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.074 9.582 -9.941 1.00 0.00 H new ATOM 880 N ASP A 63 8.763 8.394 -6.382 1.00 0.00 N ATOM 881 CA ASP A 63 7.564 8.411 -5.562 1.00 0.00 C ATOM 882 C ASP A 63 7.520 7.147 -4.703 1.00 0.00 C ATOM 883 O ASP A 63 7.054 7.180 -3.565 1.00 0.00 O ATOM 884 CB ASP A 63 6.304 8.439 -6.428 1.00 0.00 C ATOM 885 CG ASP A 63 5.524 9.756 -6.396 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.838 10.663 -5.611 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.546 9.830 -7.233 1.00 0.00 O ATOM 0 H ASP A 63 8.785 7.660 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 63 7.594 9.306 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.586 8.226 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.642 7.635 -6.106 1.00 0.00 H new ATOM 892 N LEU A 64 8.012 6.060 -5.281 1.00 0.00 N ATOM 893 CA LEU A 64 8.035 4.786 -4.582 1.00 0.00 C ATOM 894 C LEU A 64 8.877 4.920 -3.312 1.00 0.00 C ATOM 895 O LEU A 64 8.807 4.072 -2.424 1.00 0.00 O ATOM 896 CB LEU A 64 8.506 3.670 -5.518 1.00 0.00 C ATOM 897 CG LEU A 64 7.975 2.269 -5.211 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.676 1.672 -3.989 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.454 2.282 -5.048 1.00 0.00 C ATOM 0 H LEU A 64 8.398 6.036 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 64 7.029 4.505 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.218 3.931 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.595 3.638 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 64 8.203 1.625 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.280 0.676 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.747 1.605 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.501 2.309 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.103 1.273 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.182 2.946 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.992 2.636 -5.970 1.00 0.00 H new ATOM 910 N ALA A 65 9.655 5.992 -3.267 1.00 0.00 N ATOM 911 CA ALA A 65 10.510 6.249 -2.120 1.00 0.00 C ATOM 912 C ALA A 65 9.665 6.812 -0.975 1.00 0.00 C ATOM 913 O ALA A 65 9.882 6.471 0.186 1.00 0.00 O ATOM 914 CB ALA A 65 11.642 7.193 -2.529 1.00 0.00 C ATOM 0 H ALA A 65 9.711 6.693 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 65 10.968 5.325 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.283 7.386 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.229 6.734 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.221 8.133 -2.886 1.00 0.00 H new ATOM 920 N GLY A 66 8.721 7.666 -1.344 1.00 0.00 N ATOM 921 CA GLY A 66 7.843 8.279 -0.363 1.00 0.00 C ATOM 922 C GLY A 66 6.773 7.292 0.111 1.00 0.00 C ATOM 923 O GLY A 66 6.556 7.135 1.311 1.00 0.00 O ATOM 0 H GLY A 66 8.546 7.947 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.429 8.623 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.365 9.158 -0.796 1.00 0.00 H new ATOM 927 N LEU A 67 6.134 6.653 -0.858 1.00 0.00 N ATOM 928 CA LEU A 67 5.093 5.686 -0.556 1.00 0.00 C ATOM 929 C LEU A 67 5.510 4.859 0.661 1.00 0.00 C ATOM 930 O LEU A 67 6.607 4.304 0.693 1.00 0.00 O ATOM 931 CB LEU A 67 4.771 4.843 -1.792 1.00 0.00 C ATOM 932 CG LEU A 67 4.252 5.610 -3.011 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.776 4.649 -4.101 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.163 6.607 -2.609 1.00 0.00 C ATOM 0 H LEU A 67 6.317 6.786 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 67 4.165 6.194 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.672 4.303 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.028 4.096 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 67 5.077 6.187 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.412 5.220 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.605 4.015 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.971 4.027 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.812 7.138 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.330 6.072 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.570 7.322 -1.894 1.00 0.00 H new ATOM 945 N ARG A 68 4.611 4.800 1.633 1.00 0.00 N ATOM 946 CA ARG A 68 4.871 4.050 2.849 1.00 0.00 C ATOM 947 C ARG A 68 3.842 2.929 3.012 1.00 0.00 C ATOM 948 O ARG A 68 4.190 1.812 3.391 1.00 0.00 O ATOM 949 CB ARG A 68 4.821 4.960 4.079 1.00 0.00 C ATOM 950 CG ARG A 68 6.217 5.147 4.678 1.00 0.00 C ATOM 951 CD ARG A 68 6.205 4.890 6.186 1.00 0.00 C ATOM 952 NE ARG A 68 7.586 4.683 6.675 1.00 0.00 N ATOM 953 CZ ARG A 68 7.899 4.365 7.950 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.928 4.216 8.876 1.00 0.00 N ATOM 955 NH2 ARG A 68 9.167 4.204 8.276 1.00 0.00 N ATOM 0 H ARG A 68 3.701 5.260 1.602 1.00 0.00 H new ATOM 0 HA ARG A 68 5.870 3.622 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.407 5.930 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.155 4.531 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.918 4.466 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.569 6.160 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.750 5.734 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.596 4.014 6.409 1.00 0.00 H new ATOM 0 HE ARG A 68 8.350 4.787 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.950 4.344 8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.172 3.976 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.894 4.320 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.421 3.964 9.234 1.00 0.00 H new ATOM 964 N THR A 69 2.595 3.265 2.716 1.00 0.00 N ATOM 965 CA THR A 69 1.514 2.302 2.825 1.00 0.00 C ATOM 966 C THR A 69 0.640 2.338 1.569 1.00 0.00 C ATOM 967 O THR A 69 0.673 3.307 0.813 1.00 0.00 O ATOM 968 CB THR A 69 0.742 2.599 4.112 1.00 0.00 C ATOM 969 OG1 THR A 69 0.305 3.946 3.950 1.00 0.00 O ATOM 970 CG2 THR A 69 1.651 2.647 5.342 1.00 0.00 C ATOM 0 H THR A 69 2.310 4.192 2.400 1.00 0.00 H new ATOM 0 HA THR A 69 1.897 1.283 2.888 1.00 0.00 H new ATOM 0 HB THR A 69 -0.026 1.840 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.206 4.221 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.053 2.861 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.149 1.685 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.399 3.429 5.211 1.00 0.00 H new ATOM 978 N VAL A 70 -0.123 1.269 1.387 1.00 0.00 N ATOM 979 CA VAL A 70 -1.005 1.167 0.237 1.00 0.00 C ATOM 980 C VAL A 70 -1.750 2.490 0.051 1.00 0.00 C ATOM 981 O VAL A 70 -1.810 3.023 -1.056 1.00 0.00 O ATOM 982 CB VAL A 70 -1.943 -0.030 0.403 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.757 -0.269 -0.871 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.165 -1.286 0.799 1.00 0.00 C ATOM 0 H VAL A 70 -0.148 0.467 2.017 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.430 0.989 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.640 0.200 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.416 -1.125 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.355 0.615 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.081 -0.467 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.856 -2.122 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.434 -1.520 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.650 -1.112 1.744 1.00 0.00 H new ATOM 994 N GLY A 71 -2.298 2.983 1.152 1.00 0.00 N ATOM 995 CA GLY A 71 -3.038 4.233 1.125 1.00 0.00 C ATOM 996 C GLY A 71 -2.223 5.336 0.446 1.00 0.00 C ATOM 997 O GLY A 71 -2.780 6.189 -0.245 1.00 0.00 O ATOM 0 H GLY A 71 -2.244 2.539 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.979 4.092 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.288 4.534 2.142 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.918 5.285 0.667 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.021 6.269 0.086 1.00 0.00 C ATOM 1003 C ASP A 72 0.323 5.856 -1.347 1.00 0.00 C ATOM 1004 O ASP A 72 0.487 6.707 -2.220 1.00 0.00 O ATOM 1005 CB ASP A 72 1.284 6.361 0.878 1.00 0.00 C ATOM 1006 CG ASP A 72 1.905 7.758 0.943 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.462 8.686 0.250 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.897 7.876 1.759 1.00 0.00 O ATOM 0 H ASP A 72 -0.460 4.577 1.241 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.523 7.236 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.099 6.014 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.009 5.678 0.435 1.00 0.00 H new ATOM 1013 N VAL A 73 0.423 4.550 -1.545 1.00 0.00 N ATOM 1014 CA VAL A 73 0.744 4.014 -2.856 1.00 0.00 C ATOM 1015 C VAL A 73 -0.472 4.160 -3.774 1.00 0.00 C ATOM 1016 O VAL A 73 -0.357 4.006 -4.989 1.00 0.00 O ATOM 1017 CB VAL A 73 1.225 2.567 -2.726 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.735 2.036 -4.067 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.298 2.441 -1.643 1.00 0.00 C ATOM 0 H VAL A 73 0.287 3.847 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 73 1.562 4.575 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 73 0.373 1.957 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.071 1.006 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.931 2.072 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.567 2.651 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.622 1.403 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.150 3.070 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.887 2.760 -0.685 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.606 4.455 -3.158 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.841 4.623 -3.904 1.00 0.00 C ATOM 1031 C VAL A 74 -3.057 6.110 -4.196 1.00 0.00 C ATOM 1032 O VAL A 74 -3.146 6.512 -5.355 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.005 3.989 -3.140 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.338 4.274 -3.836 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.790 2.484 -2.963 1.00 0.00 C ATOM 0 H VAL A 74 -1.696 4.582 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.781 4.108 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.041 4.441 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.149 3.812 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.499 5.351 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.317 3.862 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.632 2.058 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.715 2.010 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.870 2.311 -2.404 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.135 6.884 -3.124 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.340 8.317 -3.251 1.00 0.00 C ATOM 1047 C ALA A 75 -2.438 8.861 -4.362 1.00 0.00 C ATOM 1048 O ALA A 75 -2.918 9.497 -5.299 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.075 8.992 -1.903 1.00 0.00 C ATOM 0 H ALA A 75 -3.060 6.547 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.372 8.534 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.229 10.067 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.760 8.592 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.048 8.798 -1.595 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.149 8.590 -4.220 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.177 9.043 -5.200 1.00 0.00 C ATOM 1057 C TYR A 76 -0.686 8.814 -6.624 1.00 0.00 C ATOM 1058 O TYR A 76 -0.294 9.525 -7.549 1.00 0.00 O ATOM 1059 CB TYR A 76 1.075 8.193 -4.976 1.00 0.00 C ATOM 1060 CG TYR A 76 2.214 8.934 -4.273 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.930 9.954 -3.389 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.525 8.582 -4.523 1.00 0.00 C ATOM 1063 CE1 TYR A 76 3.002 10.652 -2.727 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.597 9.279 -3.861 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.282 10.280 -2.996 1.00 0.00 C ATOM 1066 OH TYR A 76 5.295 10.940 -2.371 1.00 0.00 O ATOM 0 H TYR A 76 -0.755 8.062 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 76 0.015 10.110 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.806 7.317 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.432 7.830 -5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.904 10.229 -3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.747 7.783 -5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.794 11.453 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.627 9.013 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 76 6.155 10.567 -2.658 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.553 7.821 -6.756 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.120 7.490 -8.052 1.00 0.00 C ATOM 1077 C ILE A 77 -3.361 8.351 -8.295 1.00 0.00 C ATOM 1078 O ILE A 77 -3.313 9.314 -9.059 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.386 5.987 -8.153 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.312 5.189 -7.409 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.516 5.549 -9.613 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.474 3.688 -7.657 1.00 0.00 C ATOM 0 H ILE A 77 -1.877 7.235 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.411 7.719 -8.847 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.339 5.776 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.323 5.511 -7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.377 5.394 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.705 4.476 -9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.344 6.082 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.592 5.776 -10.145 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.699 3.144 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.454 3.365 -7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.384 3.484 -8.724 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.445 7.973 -7.632 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.696 8.700 -7.767 1.00 0.00 C ATOM 1095 C GLN A 78 -5.452 10.205 -7.649 1.00 0.00 C ATOM 1096 O GLN A 78 -5.866 10.975 -8.514 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.719 8.226 -6.732 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.115 6.770 -6.979 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.744 6.153 -5.728 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.112 6.836 -4.785 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.846 4.828 -5.771 1.00 0.00 N ATOM 0 H GLN A 78 -4.482 7.173 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.107 8.497 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.302 8.328 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.605 8.860 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.820 6.717 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.236 6.195 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.518 4.318 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.252 4.322 -4.984 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.780 10.580 -6.570 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.475 11.981 -6.327 1.00 0.00 C ATOM 1110 C LYS A 79 -3.861 12.591 -7.589 1.00 0.00 C ATOM 1111 O LYS A 79 -4.179 13.721 -7.955 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.598 12.130 -5.082 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.285 11.531 -3.853 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.440 12.417 -3.383 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.958 13.450 -2.363 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.339 14.606 -3.049 1.00 0.00 N ATOM 0 H LYS A 79 -4.438 9.939 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.387 12.539 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.641 11.635 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.385 13.185 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.659 10.535 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.560 11.415 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.885 12.925 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.220 11.799 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.797 13.787 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.237 12.992 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.492 15.467 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.318 14.440 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.771 14.725 -3.987 1.00 0.00 H new