USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 79:sc= 0.821 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -1.34! C(o=-15!,f=-0.52!) USER MOD Single : A 6 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.57) USER MOD Single : A 7 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.309 F(o=-1.3,f=-0.31) USER MOD Single : A 13 GLN :FLIP amide:sc= -2.68! C(o=-3.6!,f=-2.7!) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.13 F(o=-3!,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 33:sc= 0.263 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.408 F(o=-3.2,f=-0.41) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 3.160 -10.607 13.776 1.00 0.00 N ATOM 2 CA GLN A 6 2.196 -9.515 13.692 1.00 0.00 C ATOM 3 C GLN A 6 2.869 -8.186 14.020 1.00 0.00 C ATOM 4 O GLN A 6 2.397 -7.122 13.620 1.00 0.00 O ATOM 5 CB GLN A 6 1.042 -9.759 14.666 1.00 0.00 C ATOM 6 CG GLN A 6 -0.044 -8.704 14.451 1.00 0.00 C ATOM 7 CD GLN A 6 -1.331 -9.131 15.149 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.743 -10.285 15.041 1.00 0.00 O ATOM 9 NE2 GLN A 6 -1.993 -8.262 15.864 1.00 0.00 N ATOM 0 HA GLN A 6 1.807 -9.474 12.675 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.629 -10.756 14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.405 -9.718 15.693 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.289 -7.742 14.841 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.226 -8.570 13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.649 -7.306 15.952 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.854 -8.539 16.335 1.00 0.00 H new ATOM 18 N GLN A 7 3.977 -8.257 14.752 1.00 0.00 N ATOM 19 CA GLN A 7 4.712 -7.058 15.131 1.00 0.00 C ATOM 20 C GLN A 7 4.862 -6.117 13.939 1.00 0.00 C ATOM 21 O GLN A 7 4.398 -4.979 13.973 1.00 0.00 O ATOM 22 CB GLN A 7 6.097 -7.445 15.653 1.00 0.00 C ATOM 23 CG GLN A 7 5.948 -8.375 16.859 1.00 0.00 C ATOM 24 CD GLN A 7 5.458 -7.586 18.068 1.00 0.00 C ATOM 25 OE1 GLN A 7 4.274 -7.631 18.401 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.303 -6.861 18.748 1.00 0.00 N ATOM 0 H GLN A 7 4.383 -9.129 15.092 1.00 0.00 H new ATOM 0 HA GLN A 7 4.154 -6.544 15.914 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.668 -7.940 14.867 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.653 -6.551 15.936 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.245 -9.175 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.904 -8.847 17.085 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.284 -6.825 18.470 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.983 -6.330 19.558 1.00 0.00 H new ATOM 35 N GLN A 8 5.513 -6.601 12.889 1.00 0.00 N ATOM 36 CA GLN A 8 5.719 -5.793 11.692 1.00 0.00 C ATOM 37 C GLN A 8 4.416 -5.133 11.252 1.00 0.00 C ATOM 38 O GLN A 8 4.414 -3.994 10.784 1.00 0.00 O ATOM 39 CB GLN A 8 6.260 -6.669 10.559 1.00 0.00 C ATOM 40 CG GLN A 8 7.718 -7.039 10.845 1.00 0.00 C ATOM 41 CD GLN A 8 8.634 -5.872 10.494 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.768 -4.883 11.334 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 9.246 -5.861 9.425 1.00 0.00 N flip ATOM 0 H GLN A 8 5.905 -7.541 12.841 1.00 0.00 H new ATOM 0 HA GLN A 8 6.442 -5.012 11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.657 -7.572 10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.189 -6.138 9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.835 -7.300 11.897 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.998 -7.918 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.140 -6.635 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.858 -5.078 9.196 1.00 0.00 H new ATOM 52 N ALA A 9 3.310 -5.856 11.400 1.00 0.00 N ATOM 53 CA ALA A 9 2.007 -5.329 11.006 1.00 0.00 C ATOM 54 C ALA A 9 1.605 -4.153 11.891 1.00 0.00 C ATOM 55 O ALA A 9 1.517 -3.017 11.426 1.00 0.00 O ATOM 56 CB ALA A 9 0.949 -6.429 11.103 1.00 0.00 C ATOM 0 H ALA A 9 3.289 -6.800 11.786 1.00 0.00 H new ATOM 0 HA ALA A 9 2.078 -4.980 9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.021 -6.028 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.218 -7.252 10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.894 -6.792 12.129 1.00 0.00 H new ATOM 62 N VAL A 10 1.356 -4.432 13.167 1.00 0.00 N ATOM 63 CA VAL A 10 0.958 -3.385 14.101 1.00 0.00 C ATOM 64 C VAL A 10 2.000 -2.271 14.133 1.00 0.00 C ATOM 65 O VAL A 10 1.657 -1.088 14.122 1.00 0.00 O ATOM 66 CB VAL A 10 0.780 -3.969 15.505 1.00 0.00 C ATOM 67 CG1 VAL A 10 2.061 -4.686 15.927 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.479 -2.840 16.493 1.00 0.00 C ATOM 0 H VAL A 10 1.422 -5.365 13.575 1.00 0.00 H new ATOM 0 HA VAL A 10 0.009 -2.968 13.765 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.048 -4.678 15.500 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.933 -5.101 16.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.276 -5.491 15.224 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.890 -3.978 15.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.352 -3.256 17.493 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.306 -2.130 16.497 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.436 -2.329 16.194 1.00 0.00 H new ATOM 78 N LEU A 11 3.271 -2.653 14.171 1.00 0.00 N ATOM 79 CA LEU A 11 4.350 -1.673 14.201 1.00 0.00 C ATOM 80 C LEU A 11 4.256 -0.742 12.996 1.00 0.00 C ATOM 81 O LEU A 11 3.979 0.449 13.141 1.00 0.00 O ATOM 82 CB LEU A 11 5.707 -2.380 14.189 1.00 0.00 C ATOM 83 CG LEU A 11 5.953 -3.076 15.534 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.228 -3.917 15.438 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.115 -2.029 16.648 1.00 0.00 C ATOM 0 H LEU A 11 3.578 -3.626 14.182 1.00 0.00 H new ATOM 0 HA LEU A 11 4.255 -1.087 15.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.737 -3.112 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.500 -1.658 13.994 1.00 0.00 H new ATOM 0 HG LEU A 11 5.102 -3.716 15.769 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.408 -4.414 16.391 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.112 -4.666 14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.073 -3.271 15.200 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.289 -2.533 17.599 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.962 -1.383 16.419 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.208 -1.428 16.717 1.00 0.00 H new ATOM 97 N GLU A 12 4.489 -1.292 11.808 1.00 0.00 N ATOM 98 CA GLU A 12 4.426 -0.497 10.586 1.00 0.00 C ATOM 99 C GLU A 12 3.173 0.371 10.580 1.00 0.00 C ATOM 100 O GLU A 12 3.235 1.567 10.294 1.00 0.00 O ATOM 101 CB GLU A 12 4.421 -1.416 9.363 1.00 0.00 C ATOM 102 CG GLU A 12 5.794 -2.076 9.213 1.00 0.00 C ATOM 103 CD GLU A 12 5.722 -3.206 8.192 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.923 -3.101 7.277 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.468 -4.160 8.341 1.00 0.00 O ATOM 0 H GLU A 12 4.721 -2.275 11.666 1.00 0.00 H new ATOM 0 HA GLU A 12 5.303 0.149 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.649 -2.178 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.181 -0.844 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.529 -1.336 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.126 -2.465 10.175 1.00 0.00 H new ATOM 112 N GLN A 13 2.037 -0.240 10.900 1.00 0.00 N ATOM 113 CA GLN A 13 0.774 0.487 10.930 1.00 0.00 C ATOM 114 C GLN A 13 0.857 1.654 11.910 1.00 0.00 C ATOM 115 O GLN A 13 0.567 2.797 11.557 1.00 0.00 O ATOM 116 CB GLN A 13 -0.360 -0.456 11.345 1.00 0.00 C ATOM 117 CG GLN A 13 -1.705 0.126 10.900 1.00 0.00 C ATOM 118 CD GLN A 13 -1.971 1.443 11.619 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.231 2.516 10.923 1.00 0.00 O flip ATOM 120 NE2 GLN A 13 -1.942 1.497 12.849 1.00 0.00 N flip ATOM 0 H GLN A 13 1.965 -1.229 11.140 1.00 0.00 H new ATOM 0 HA GLN A 13 0.572 0.878 9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.212 -1.438 10.896 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.353 -0.595 12.426 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.702 0.286 9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.505 -0.582 11.115 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.739 0.658 13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.121 2.381 13.325 1.00 0.00 H new ATOM 129 N GLU A 14 1.255 1.356 13.143 1.00 0.00 N ATOM 130 CA GLU A 14 1.373 2.388 14.166 1.00 0.00 C ATOM 131 C GLU A 14 2.283 3.515 13.687 1.00 0.00 C ATOM 132 O GLU A 14 1.878 4.677 13.649 1.00 0.00 O ATOM 133 CB GLU A 14 1.938 1.786 15.456 1.00 0.00 C ATOM 134 CG GLU A 14 0.837 1.016 16.190 1.00 0.00 C ATOM 135 CD GLU A 14 1.429 0.264 17.377 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.617 -0.010 17.347 1.00 0.00 O ATOM 137 OE2 GLU A 14 0.684 -0.027 18.299 1.00 0.00 O ATOM 0 H GLU A 14 1.499 0.416 13.456 1.00 0.00 H new ATOM 0 HA GLU A 14 0.381 2.794 14.361 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.769 1.120 15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.331 2.576 16.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.067 1.706 16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.356 0.315 15.508 1.00 0.00 H new ATOM 144 N ARG A 15 3.512 3.165 13.321 1.00 0.00 N ATOM 145 CA ARG A 15 4.465 4.161 12.845 1.00 0.00 C ATOM 146 C ARG A 15 3.804 5.085 11.828 1.00 0.00 C ATOM 147 O ARG A 15 3.869 6.308 11.952 1.00 0.00 O ATOM 148 CB ARG A 15 5.674 3.472 12.204 1.00 0.00 C ATOM 149 CG ARG A 15 6.447 2.692 13.272 1.00 0.00 C ATOM 150 CD ARG A 15 7.844 2.353 12.746 1.00 0.00 C ATOM 151 NE ARG A 15 8.637 3.569 12.599 1.00 0.00 N ATOM 152 CZ ARG A 15 9.967 3.530 12.612 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.585 2.390 12.759 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.654 4.632 12.476 1.00 0.00 N ATOM 0 H ARG A 15 3.869 2.210 13.344 1.00 0.00 H new ATOM 0 HA ARG A 15 4.799 4.752 13.697 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.344 2.797 11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.324 4.214 11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.524 3.283 14.185 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.912 1.778 13.529 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.342 1.667 13.431 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.765 1.844 11.786 1.00 0.00 H new ATOM 0 HE ARG A 15 8.163 4.465 12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.048 1.529 12.864 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.605 2.360 12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.171 5.523 12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.674 4.602 12.486 1.00 0.00 H new ATOM 168 N ARG A 16 3.162 4.492 10.825 1.00 0.00 N ATOM 169 CA ARG A 16 2.488 5.278 9.798 1.00 0.00 C ATOM 170 C ARG A 16 1.492 6.238 10.438 1.00 0.00 C ATOM 171 O ARG A 16 1.617 7.456 10.307 1.00 0.00 O ATOM 172 CB ARG A 16 1.756 4.350 8.824 1.00 0.00 C ATOM 173 CG ARG A 16 1.329 5.141 7.585 1.00 0.00 C ATOM 174 CD ARG A 16 0.762 4.182 6.537 1.00 0.00 C ATOM 175 NE ARG A 16 0.583 4.872 5.264 1.00 0.00 N ATOM 176 CZ ARG A 16 -0.036 4.284 4.245 1.00 0.00 C ATOM 177 NH1 ARG A 16 -0.496 3.069 4.375 1.00 0.00 N ATOM 178 NH2 ARG A 16 -0.183 4.920 3.116 1.00 0.00 N ATOM 0 H ARG A 16 3.095 3.482 10.702 1.00 0.00 H new ATOM 0 HA ARG A 16 3.236 5.854 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.406 3.524 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.882 3.914 9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.580 5.885 7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.181 5.682 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.435 3.334 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.192 3.782 6.879 1.00 0.00 H new ATOM 0 HE ARG A 16 0.939 5.822 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.380 2.572 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.971 2.617 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.177 5.869 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.658 4.468 2.334 1.00 0.00 H new ATOM 192 N ASP A 17 0.508 5.682 11.136 1.00 0.00 N ATOM 193 CA ASP A 17 -0.502 6.499 11.799 1.00 0.00 C ATOM 194 C ASP A 17 0.160 7.637 12.570 1.00 0.00 C ATOM 195 O ASP A 17 -0.258 8.792 12.476 1.00 0.00 O ATOM 196 CB ASP A 17 -1.323 5.636 12.759 1.00 0.00 C ATOM 197 CG ASP A 17 -2.616 6.355 13.133 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.597 6.171 12.431 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.605 7.079 14.115 1.00 0.00 O ATOM 0 H ASP A 17 0.388 4.676 11.257 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.161 6.922 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.552 4.677 12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.743 5.424 13.657 1.00 0.00 H new ATOM 204 N ARG A 18 1.197 7.300 13.330 1.00 0.00 N ATOM 205 CA ARG A 18 1.914 8.298 14.114 1.00 0.00 C ATOM 206 C ARG A 18 2.526 9.355 13.200 1.00 0.00 C ATOM 207 O ARG A 18 2.301 10.552 13.382 1.00 0.00 O ATOM 208 CB ARG A 18 3.019 7.626 14.932 1.00 0.00 C ATOM 209 CG ARG A 18 2.389 6.787 16.046 1.00 0.00 C ATOM 210 CD ARG A 18 3.492 6.196 16.925 1.00 0.00 C ATOM 211 NE ARG A 18 4.123 7.245 17.717 1.00 0.00 N ATOM 212 CZ ARG A 18 4.862 6.954 18.783 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.034 5.710 19.136 1.00 0.00 N ATOM 214 NH2 ARG A 18 5.414 7.912 19.476 1.00 0.00 N ATOM 0 H ARG A 18 1.557 6.350 13.419 1.00 0.00 H new ATOM 0 HA ARG A 18 1.207 8.781 14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.630 6.994 14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.680 8.380 15.359 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.721 7.404 16.647 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.784 5.988 15.617 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.073 5.435 17.584 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.238 5.702 16.302 1.00 0.00 H new ATOM 0 HE ARG A 18 3.995 8.221 17.448 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.602 4.962 18.594 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.601 5.486 19.954 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.278 8.885 19.200 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.981 7.688 20.294 1.00 0.00 H new ATOM 228 N GLU A 19 3.299 8.905 12.217 1.00 0.00 N ATOM 229 CA GLU A 19 3.937 9.823 11.280 1.00 0.00 C ATOM 230 C GLU A 19 2.943 10.877 10.805 1.00 0.00 C ATOM 231 O GLU A 19 3.176 12.077 10.957 1.00 0.00 O ATOM 232 CB GLU A 19 4.476 9.046 10.075 1.00 0.00 C ATOM 233 CG GLU A 19 5.751 8.300 10.476 1.00 0.00 C ATOM 234 CD GLU A 19 6.918 9.276 10.574 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.127 10.016 9.627 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.586 9.270 11.594 1.00 0.00 O ATOM 0 H GLU A 19 3.498 7.919 12.049 1.00 0.00 H new ATOM 0 HA GLU A 19 4.762 10.321 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.726 8.340 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.686 9.730 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.603 7.800 11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.975 7.525 9.742 1.00 0.00 H new ATOM 243 N LEU A 20 1.833 10.424 10.233 1.00 0.00 N ATOM 244 CA LEU A 20 0.811 11.341 9.743 1.00 0.00 C ATOM 245 C LEU A 20 0.361 12.279 10.860 1.00 0.00 C ATOM 246 O LEU A 20 0.537 13.493 10.772 1.00 0.00 O ATOM 247 CB LEU A 20 -0.392 10.551 9.213 1.00 0.00 C ATOM 248 CG LEU A 20 -0.162 10.181 7.744 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.101 9.328 7.620 1.00 0.00 C ATOM 250 CD2 LEU A 20 -1.365 9.388 7.226 1.00 0.00 C ATOM 0 H LEU A 20 1.619 9.436 10.098 1.00 0.00 H new ATOM 0 HA LEU A 20 1.235 11.935 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.536 9.648 9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.301 11.145 9.310 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.042 11.091 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.262 9.066 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.958 9.891 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.984 8.418 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.204 9.124 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.483 8.479 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.266 9.996 7.312 1.00 0.00 H new ATOM 262 N ALA A 21 -0.221 11.706 11.909 1.00 0.00 N ATOM 263 CA ALA A 21 -0.693 12.503 13.037 1.00 0.00 C ATOM 264 C ALA A 21 0.399 13.456 13.518 1.00 0.00 C ATOM 265 O ALA A 21 0.114 14.572 13.949 1.00 0.00 O ATOM 266 CB ALA A 21 -1.113 11.584 14.185 1.00 0.00 C ATOM 0 H ALA A 21 -0.376 10.702 12.002 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.551 13.090 12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.464 12.186 15.023 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.915 10.926 13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.260 10.984 14.501 1.00 0.00 H new ATOM 272 N LEU A 22 1.646 13.006 13.441 1.00 0.00 N ATOM 273 CA LEU A 22 2.772 13.827 13.873 1.00 0.00 C ATOM 274 C LEU A 22 2.984 14.996 12.916 1.00 0.00 C ATOM 275 O LEU A 22 3.274 16.114 13.342 1.00 0.00 O ATOM 276 CB LEU A 22 4.046 12.978 13.933 1.00 0.00 C ATOM 277 CG LEU A 22 5.120 13.704 14.757 1.00 0.00 C ATOM 278 CD1 LEU A 22 4.966 13.349 16.239 1.00 0.00 C ATOM 279 CD2 LEU A 22 6.509 13.274 14.277 1.00 0.00 C ATOM 0 H LEU A 22 1.902 12.085 13.086 1.00 0.00 H new ATOM 0 HA LEU A 22 2.549 14.220 14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.826 12.008 14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.415 12.789 12.925 1.00 0.00 H new ATOM 0 HG LEU A 22 5.003 14.780 14.629 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.730 13.867 16.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.979 13.655 16.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.079 12.273 16.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.271 13.789 14.861 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.620 12.197 14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.625 13.529 13.224 1.00 0.00 H new ATOM 291 N ARG A 23 2.837 14.730 11.622 1.00 0.00 N ATOM 292 CA ARG A 23 3.015 15.769 10.613 1.00 0.00 C ATOM 293 C ARG A 23 1.917 16.821 10.730 1.00 0.00 C ATOM 294 O ARG A 23 2.188 18.021 10.700 1.00 0.00 O ATOM 295 CB ARG A 23 2.987 15.149 9.213 1.00 0.00 C ATOM 296 CG ARG A 23 4.312 14.433 8.941 1.00 0.00 C ATOM 297 CD ARG A 23 4.159 13.521 7.722 1.00 0.00 C ATOM 298 NE ARG A 23 3.233 14.112 6.762 1.00 0.00 N ATOM 299 CZ ARG A 23 2.629 13.368 5.843 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.860 12.084 5.785 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.803 13.919 4.996 1.00 0.00 N ATOM 0 H ARG A 23 2.597 13.811 11.249 1.00 0.00 H new ATOM 0 HA ARG A 23 3.980 16.248 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.159 14.445 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.821 15.924 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.102 15.163 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.606 13.847 9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.130 13.364 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.794 12.542 8.035 1.00 0.00 H new ATOM 0 HE ARG A 23 3.046 15.114 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.505 11.651 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.395 11.514 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.621 14.922 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.339 13.347 4.290 1.00 0.00 H new ATOM 315 N ILE A 24 0.677 16.363 10.860 1.00 0.00 N ATOM 316 CA ILE A 24 -0.455 17.275 10.978 1.00 0.00 C ATOM 317 C ILE A 24 -0.441 17.973 12.335 1.00 0.00 C ATOM 318 O ILE A 24 -0.912 19.102 12.466 1.00 0.00 O ATOM 319 CB ILE A 24 -1.767 16.505 10.810 1.00 0.00 C ATOM 320 CG1 ILE A 24 -1.702 15.665 9.532 1.00 0.00 C ATOM 321 CG2 ILE A 24 -2.931 17.492 10.711 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.030 14.931 9.335 1.00 0.00 C ATOM 0 H ILE A 24 0.431 15.374 10.886 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.374 18.028 10.194 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.918 15.852 11.670 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.497 16.305 8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.884 14.948 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.865 16.943 10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.977 18.092 11.620 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.782 18.145 9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.984 14.333 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.216 14.279 10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.838 15.657 9.251 1.00 0.00 H new ATOM 334 N ALA A 25 0.097 17.293 13.341 1.00 0.00 N ATOM 335 CA ALA A 25 0.163 17.858 14.684 1.00 0.00 C ATOM 336 C ALA A 25 1.257 18.919 14.771 1.00 0.00 C ATOM 337 O ALA A 25 1.015 20.038 15.223 1.00 0.00 O ATOM 338 CB ALA A 25 0.439 16.753 15.704 1.00 0.00 C ATOM 0 H ALA A 25 0.491 16.356 13.254 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.796 18.325 14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.487 17.184 16.704 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.361 16.014 15.665 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.389 16.272 15.471 1.00 0.00 H new ATOM 344 N GLN A 26 2.461 18.561 14.337 1.00 0.00 N ATOM 345 CA GLN A 26 3.581 19.495 14.376 1.00 0.00 C ATOM 346 C GLN A 26 3.360 20.634 13.384 1.00 0.00 C ATOM 347 O GLN A 26 3.779 21.766 13.621 1.00 0.00 O ATOM 348 CB GLN A 26 4.884 18.764 14.042 1.00 0.00 C ATOM 349 CG GLN A 26 4.917 18.418 12.550 1.00 0.00 C ATOM 350 CD GLN A 26 5.956 17.332 12.289 1.00 0.00 C ATOM 351 OE1 GLN A 26 5.755 16.127 12.749 1.00 0.00 O flip ATOM 352 NE2 GLN A 26 6.976 17.588 11.649 1.00 0.00 N flip ATOM 0 H GLN A 26 2.685 17.641 13.958 1.00 0.00 H new ATOM 0 HA GLN A 26 3.650 19.912 15.381 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.739 19.390 14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.964 17.855 14.637 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.934 18.078 12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.155 19.308 11.967 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.130 18.531 11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.667 16.858 11.477 1.00 0.00 H new ATOM 361 N SER A 27 2.699 20.323 12.274 1.00 0.00 N ATOM 362 CA SER A 27 2.428 21.328 11.252 1.00 0.00 C ATOM 363 C SER A 27 1.328 22.281 11.710 1.00 0.00 C ATOM 364 O SER A 27 1.510 23.498 11.713 1.00 0.00 O ATOM 365 CB SER A 27 2.005 20.648 9.951 1.00 0.00 C ATOM 366 OG SER A 27 1.718 21.640 8.975 1.00 0.00 O ATOM 0 H SER A 27 2.344 19.391 12.060 1.00 0.00 H new ATOM 0 HA SER A 27 3.340 21.900 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.799 19.991 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.127 20.024 10.122 1.00 0.00 H new ATOM 0 HG SER A 27 1.448 21.207 8.138 1.00 0.00 H new ATOM 372 N GLU A 28 0.185 21.721 12.093 1.00 0.00 N ATOM 373 CA GLU A 28 -0.937 22.536 12.549 1.00 0.00 C ATOM 374 C GLU A 28 -0.577 23.271 13.837 1.00 0.00 C ATOM 375 O GLU A 28 -1.103 24.349 14.114 1.00 0.00 O ATOM 376 CB GLU A 28 -2.171 21.653 12.773 1.00 0.00 C ATOM 377 CG GLU A 28 -2.034 20.880 14.092 1.00 0.00 C ATOM 378 CD GLU A 28 -2.526 21.731 15.261 1.00 0.00 C ATOM 379 OE1 GLU A 28 -2.864 22.881 15.034 1.00 0.00 O ATOM 380 OE2 GLU A 28 -2.559 21.218 16.368 1.00 0.00 O ATOM 0 H GLU A 28 0.011 20.716 12.097 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.164 23.275 11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.070 22.269 12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.284 20.955 11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.608 19.955 14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.993 20.600 14.251 1.00 0.00 H new ATOM 387 N ALA A 29 0.320 22.681 14.620 1.00 0.00 N ATOM 388 CA ALA A 29 0.739 23.290 15.876 1.00 0.00 C ATOM 389 C ALA A 29 1.721 24.429 15.621 1.00 0.00 C ATOM 390 O ALA A 29 1.621 25.494 16.229 1.00 0.00 O ATOM 391 CB ALA A 29 1.396 22.240 16.774 1.00 0.00 C ATOM 0 H ALA A 29 0.767 21.789 14.409 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.144 23.692 16.373 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.706 22.704 17.710 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.683 21.443 16.983 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.268 21.824 16.269 1.00 0.00 H new ATOM 397 N GLU A 30 2.669 24.197 14.718 1.00 0.00 N ATOM 398 CA GLU A 30 3.664 25.214 14.394 1.00 0.00 C ATOM 399 C GLU A 30 3.111 26.195 13.364 1.00 0.00 C ATOM 400 O GLU A 30 3.547 27.344 13.291 1.00 0.00 O ATOM 401 CB GLU A 30 4.925 24.549 13.841 1.00 0.00 C ATOM 402 CG GLU A 30 5.566 23.685 14.929 1.00 0.00 C ATOM 403 CD GLU A 30 6.730 22.891 14.347 1.00 0.00 C ATOM 404 OE1 GLU A 30 6.473 21.969 13.590 1.00 0.00 O ATOM 405 OE2 GLU A 30 7.863 23.217 14.664 1.00 0.00 O ATOM 0 H GLU A 30 2.769 23.323 14.202 1.00 0.00 H new ATOM 0 HA GLU A 30 3.909 25.761 15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.676 23.936 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.630 25.308 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.918 24.316 15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.825 23.005 15.348 1.00 0.00 H new ATOM 412 N LEU A 31 2.146 25.735 12.574 1.00 0.00 N ATOM 413 CA LEU A 31 1.537 26.581 11.555 1.00 0.00 C ATOM 414 C LEU A 31 2.606 27.326 10.758 1.00 0.00 C ATOM 415 O LEU A 31 2.529 28.541 10.585 1.00 0.00 O ATOM 416 CB LEU A 31 0.591 27.592 12.212 1.00 0.00 C ATOM 417 CG LEU A 31 -0.385 28.151 11.167 1.00 0.00 C ATOM 418 CD1 LEU A 31 -1.617 27.246 11.070 1.00 0.00 C ATOM 419 CD2 LEU A 31 -0.825 29.560 11.579 1.00 0.00 C ATOM 0 H LEU A 31 1.771 24.787 12.619 1.00 0.00 H new ATOM 0 HA LEU A 31 0.974 25.943 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.037 27.113 13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.165 28.404 12.657 1.00 0.00 H new ATOM 0 HG LEU A 31 0.113 28.190 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.306 27.648 10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.309 26.243 10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.114 27.202 12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.518 29.956 10.837 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.318 29.518 12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.048 30.209 11.644 1.00 0.00 H new ATOM 450 N SER A 33 4.052 25.663 7.714 1.00 0.00 N ATOM 451 CA SER A 33 3.842 25.251 6.330 1.00 0.00 C ATOM 452 C SER A 33 2.574 25.886 5.771 1.00 0.00 C ATOM 453 O SER A 33 1.747 25.209 5.160 1.00 0.00 O ATOM 454 CB SER A 33 3.734 23.729 6.248 1.00 0.00 C ATOM 455 OG SER A 33 4.831 23.142 6.936 1.00 0.00 O ATOM 0 HA SER A 33 4.694 25.585 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.794 23.396 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.730 23.409 5.206 1.00 0.00 H new ATOM 0 HG SER A 33 5.088 23.713 7.690 1.00 0.00 H new ATOM 461 N ASP A 34 2.431 27.189 5.982 1.00 0.00 N ATOM 462 CA ASP A 34 1.261 27.909 5.493 1.00 0.00 C ATOM 463 C ASP A 34 0.953 27.509 4.053 1.00 0.00 C ATOM 464 O ASP A 34 -0.187 27.610 3.600 1.00 0.00 O ATOM 465 CB ASP A 34 1.513 29.416 5.567 1.00 0.00 C ATOM 466 CG ASP A 34 1.409 29.893 7.011 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.313 29.859 7.547 1.00 0.00 O ATOM 468 OD2 ASP A 34 2.425 30.286 7.560 1.00 0.00 O ATOM 0 H ASP A 34 3.106 27.766 6.485 1.00 0.00 H new ATOM 0 HA ASP A 34 0.406 27.653 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.501 29.647 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.788 29.945 4.948 1.00 0.00 H new ATOM 473 N GLU A 35 1.978 27.052 3.341 1.00 0.00 N ATOM 474 CA GLU A 35 1.808 26.634 1.955 1.00 0.00 C ATOM 475 C GLU A 35 0.780 25.513 1.859 1.00 0.00 C ATOM 476 O GLU A 35 -0.149 25.576 1.054 1.00 0.00 O ATOM 477 CB GLU A 35 3.146 26.154 1.393 1.00 0.00 C ATOM 478 CG GLU A 35 3.035 25.978 -0.122 1.00 0.00 C ATOM 479 CD GLU A 35 2.912 27.339 -0.797 1.00 0.00 C ATOM 480 OE1 GLU A 35 3.928 27.997 -0.950 1.00 0.00 O ATOM 481 OE2 GLU A 35 1.804 27.705 -1.152 1.00 0.00 O ATOM 0 H GLU A 35 2.929 26.962 3.698 1.00 0.00 H new ATOM 0 HA GLU A 35 1.454 27.486 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.930 26.874 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.430 25.210 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.912 25.453 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.167 25.364 -0.362 1.00 0.00 H new ATOM 488 N ALA A 36 0.953 24.487 2.686 1.00 0.00 N ATOM 489 CA ALA A 36 0.033 23.356 2.687 1.00 0.00 C ATOM 490 C ALA A 36 -1.398 23.830 2.926 1.00 0.00 C ATOM 491 O ALA A 36 -2.275 23.632 2.085 1.00 0.00 O ATOM 492 CB ALA A 36 0.431 22.360 3.779 1.00 0.00 C ATOM 0 H ALA A 36 1.716 24.415 3.359 1.00 0.00 H new ATOM 0 HA ALA A 36 0.085 22.868 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.261 21.518 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.442 22.000 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.395 22.852 4.751 1.00 0.00 H new ATOM 498 N GLN A 37 -1.625 24.455 4.077 1.00 0.00 N ATOM 499 CA GLN A 37 -2.954 24.952 4.415 1.00 0.00 C ATOM 500 C GLN A 37 -3.554 25.721 3.242 1.00 0.00 C ATOM 501 O GLN A 37 -4.730 25.556 2.915 1.00 0.00 O ATOM 502 CB GLN A 37 -2.875 25.869 5.639 1.00 0.00 C ATOM 503 CG GLN A 37 -1.982 25.230 6.706 1.00 0.00 C ATOM 504 CD GLN A 37 -2.421 23.793 6.967 1.00 0.00 C ATOM 505 OE1 GLN A 37 -1.860 22.818 6.306 1.00 0.00 O flip ATOM 506 NE2 GLN A 37 -3.299 23.553 7.797 1.00 0.00 N flip ATOM 0 H GLN A 37 -0.913 24.628 4.786 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.592 24.098 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.476 26.842 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.873 26.041 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.942 25.247 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.035 25.808 7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.736 24.317 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.589 22.590 7.969 1.00 0.00 H new ATOM 515 N ALA A 38 -2.738 26.560 2.611 1.00 0.00 N ATOM 516 CA ALA A 38 -3.200 27.349 1.475 1.00 0.00 C ATOM 517 C ALA A 38 -3.576 26.443 0.307 1.00 0.00 C ATOM 518 O ALA A 38 -4.614 26.630 -0.328 1.00 0.00 O ATOM 519 CB ALA A 38 -2.104 28.322 1.035 1.00 0.00 C ATOM 0 H ALA A 38 -1.762 26.710 2.865 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.083 27.909 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.457 28.908 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.858 28.991 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.215 27.762 0.745 1.00 0.00 H new ATOM 525 N ASP A 39 -2.724 25.462 0.029 1.00 0.00 N ATOM 526 CA ASP A 39 -2.975 24.532 -1.066 1.00 0.00 C ATOM 527 C ASP A 39 -4.312 23.823 -0.873 1.00 0.00 C ATOM 528 O ASP A 39 -5.226 23.965 -1.687 1.00 0.00 O ATOM 529 CB ASP A 39 -1.852 23.496 -1.140 1.00 0.00 C ATOM 530 CG ASP A 39 -0.582 24.141 -1.686 1.00 0.00 C ATOM 531 OD1 ASP A 39 -0.332 25.287 -1.351 1.00 0.00 O ATOM 532 OD2 ASP A 39 0.121 23.479 -2.432 1.00 0.00 O ATOM 0 H ASP A 39 -1.860 25.291 0.543 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.009 25.098 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.662 23.082 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.153 22.667 -1.780 1.00 0.00 H new ATOM 537 N LEU A 40 -4.420 23.055 0.206 1.00 0.00 N ATOM 538 CA LEU A 40 -5.650 22.325 0.495 1.00 0.00 C ATOM 539 C LEU A 40 -6.845 23.274 0.517 1.00 0.00 C ATOM 540 O LEU A 40 -7.918 22.948 0.009 1.00 0.00 O ATOM 541 CB LEU A 40 -5.532 21.613 1.847 1.00 0.00 C ATOM 542 CG LEU A 40 -4.747 20.310 1.679 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.403 20.604 1.011 1.00 0.00 C ATOM 544 CD2 LEU A 40 -4.506 19.679 3.052 1.00 0.00 C ATOM 0 H LEU A 40 -3.676 22.922 0.891 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.804 21.585 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.031 22.260 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.524 21.402 2.245 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.318 19.621 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.845 19.675 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.574 21.053 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.831 21.294 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.947 18.751 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.936 20.369 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.463 19.467 3.528 1.00 0.00 H new ATOM 556 N ALA A 41 -6.653 24.447 1.111 1.00 0.00 N ATOM 557 CA ALA A 41 -7.725 25.433 1.195 1.00 0.00 C ATOM 558 C ALA A 41 -8.205 25.825 -0.200 1.00 0.00 C ATOM 559 O ALA A 41 -9.379 25.664 -0.529 1.00 0.00 O ATOM 560 CB ALA A 41 -7.231 26.679 1.935 1.00 0.00 C ATOM 0 H ALA A 41 -5.773 24.737 1.538 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.558 24.991 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.037 27.411 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.917 26.404 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.387 27.111 1.397 1.00 0.00 H new ATOM 566 N LEU A 42 -7.289 26.339 -1.013 1.00 0.00 N ATOM 567 CA LEU A 42 -7.630 26.750 -2.370 1.00 0.00 C ATOM 568 C LEU A 42 -8.119 25.556 -3.183 1.00 0.00 C ATOM 569 O LEU A 42 -9.032 25.679 -3.999 1.00 0.00 O ATOM 570 CB LEU A 42 -6.408 27.370 -3.053 1.00 0.00 C ATOM 571 CG LEU A 42 -5.916 28.578 -2.246 1.00 0.00 C ATOM 572 CD1 LEU A 42 -4.444 28.844 -2.570 1.00 0.00 C ATOM 573 CD2 LEU A 42 -6.744 29.816 -2.606 1.00 0.00 C ATOM 0 H LEU A 42 -6.311 26.480 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.428 27.490 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.613 26.629 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.664 27.679 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.026 28.366 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.095 29.703 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.850 27.968 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.338 29.051 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.390 30.671 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.639 30.027 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.793 29.632 -2.375 1.00 0.00 H new ATOM 585 N ARG A 43 -7.506 24.401 -2.951 1.00 0.00 N ATOM 586 CA ARG A 43 -7.886 23.189 -3.666 1.00 0.00 C ATOM 587 C ARG A 43 -9.252 22.698 -3.197 1.00 0.00 C ATOM 588 O ARG A 43 -10.013 22.114 -3.969 1.00 0.00 O ATOM 589 CB ARG A 43 -6.840 22.097 -3.432 1.00 0.00 C ATOM 590 CG ARG A 43 -7.237 20.835 -4.203 1.00 0.00 C ATOM 591 CD ARG A 43 -6.116 19.797 -4.101 1.00 0.00 C ATOM 592 NE ARG A 43 -6.280 18.777 -5.129 1.00 0.00 N ATOM 593 CZ ARG A 43 -5.871 18.987 -6.376 1.00 0.00 C ATOM 594 NH1 ARG A 43 -5.306 20.120 -6.694 1.00 0.00 N ATOM 595 NH2 ARG A 43 -6.031 18.060 -7.281 1.00 0.00 N ATOM 0 H ARG A 43 -6.749 24.278 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.941 23.417 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.859 22.442 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.762 21.876 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.163 20.426 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.426 21.080 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.148 20.285 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.127 19.334 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.716 17.887 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.179 20.843 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.992 20.282 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.470 17.174 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.717 18.222 -8.238 1.00 0.00 H new ATOM 609 N ARG A 44 -9.556 22.940 -1.926 1.00 0.00 N ATOM 610 CA ARG A 44 -10.831 22.521 -1.361 1.00 0.00 C ATOM 611 C ARG A 44 -11.942 23.476 -1.791 1.00 0.00 C ATOM 612 O ARG A 44 -13.065 23.053 -2.063 1.00 0.00 O ATOM 613 CB ARG A 44 -10.727 22.490 0.168 1.00 0.00 C ATOM 614 CG ARG A 44 -12.126 22.477 0.785 1.00 0.00 C ATOM 615 CD ARG A 44 -12.040 22.067 2.257 1.00 0.00 C ATOM 616 NE ARG A 44 -11.414 23.127 3.042 1.00 0.00 N ATOM 617 CZ ARG A 44 -10.098 23.160 3.238 1.00 0.00 C ATOM 618 NH1 ARG A 44 -9.336 22.229 2.730 1.00 0.00 N ATOM 619 NH2 ARG A 44 -9.568 24.122 3.943 1.00 0.00 N ATOM 0 H ARG A 44 -8.939 23.422 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.072 21.523 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.172 21.607 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.172 23.359 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.580 23.464 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.767 21.783 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.038 21.860 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.464 21.146 2.352 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.998 23.858 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.749 21.475 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.328 22.256 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.162 24.848 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.560 24.148 4.094 1.00 0.00 H new ATOM 633 N SER A 45 -11.619 24.765 -1.849 1.00 0.00 N ATOM 634 CA SER A 45 -12.596 25.772 -2.247 1.00 0.00 C ATOM 635 C SER A 45 -12.585 25.964 -3.759 1.00 0.00 C ATOM 636 O SER A 45 -11.740 26.680 -4.298 1.00 0.00 O ATOM 637 CB SER A 45 -12.281 27.102 -1.562 1.00 0.00 C ATOM 638 OG SER A 45 -12.572 26.997 -0.174 1.00 0.00 O ATOM 0 H SER A 45 -10.695 25.134 -1.627 1.00 0.00 H new ATOM 0 HA SER A 45 -13.585 25.430 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.232 27.359 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.870 27.903 -2.009 1.00 0.00 H new ATOM 0 HG SER A 45 -12.369 27.848 0.268 1.00 0.00 H new ATOM 644 N LEU A 46 -13.528 25.323 -4.440 1.00 0.00 N ATOM 645 CA LEU A 46 -13.616 25.433 -5.892 1.00 0.00 C ATOM 646 C LEU A 46 -14.118 26.818 -6.288 1.00 0.00 C ATOM 647 O LEU A 46 -13.708 27.368 -7.310 1.00 0.00 O ATOM 648 CB LEU A 46 -14.566 24.364 -6.443 1.00 0.00 C ATOM 649 CG LEU A 46 -13.866 22.997 -6.464 1.00 0.00 C ATOM 650 CD1 LEU A 46 -12.752 22.988 -7.521 1.00 0.00 C ATOM 651 CD2 LEU A 46 -13.265 22.709 -5.085 1.00 0.00 C ATOM 0 H LEU A 46 -14.237 24.726 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.622 25.282 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -15.464 24.312 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -14.885 24.634 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.597 22.228 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.263 22.014 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.181 23.184 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.020 23.760 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.768 21.739 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.540 23.484 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.058 22.699 -4.337 1.00 0.00 H new ATOM 663 N ASP A 47 -15.007 27.375 -5.472 1.00 0.00 N ATOM 664 CA ASP A 47 -15.557 28.697 -5.746 1.00 0.00 C ATOM 665 C ASP A 47 -14.574 29.784 -5.325 1.00 0.00 C ATOM 666 O ASP A 47 -14.960 30.931 -5.096 1.00 0.00 O ATOM 667 CB ASP A 47 -16.877 28.879 -4.992 1.00 0.00 C ATOM 668 CG ASP A 47 -17.974 28.053 -5.655 1.00 0.00 C ATOM 669 OD1 ASP A 47 -17.896 26.837 -5.583 1.00 0.00 O ATOM 670 OD2 ASP A 47 -18.874 28.647 -6.224 1.00 0.00 O ATOM 0 H ASP A 47 -15.360 26.935 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.736 28.781 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.757 28.572 -3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.158 29.932 -4.983 1.00 0.00 H new ATOM 675 N SER A 48 -13.301 29.416 -5.225 1.00 0.00 N ATOM 676 CA SER A 48 -12.269 30.368 -4.831 1.00 0.00 C ATOM 677 C SER A 48 -12.425 31.678 -5.595 1.00 0.00 C ATOM 678 O SER A 48 -12.405 32.758 -5.005 1.00 0.00 O ATOM 679 CB SER A 48 -10.884 29.777 -5.102 1.00 0.00 C ATOM 680 OG SER A 48 -9.890 30.725 -4.737 1.00 0.00 O ATOM 0 H SER A 48 -12.961 28.472 -5.410 1.00 0.00 H new ATOM 0 HA SER A 48 -12.376 30.570 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.751 28.856 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.786 29.518 -6.156 1.00 0.00 H new ATOM 0 HG SER A 48 -9.001 30.349 -4.908 1.00 0.00 H new ATOM 894 N THR A 62 -31.043 47.178 -31.600 1.00 0.00 N ATOM 895 CA THR A 62 -32.088 48.194 -31.651 1.00 0.00 C ATOM 896 C THR A 62 -33.073 47.890 -32.782 1.00 0.00 C ATOM 897 O THR A 62 -32.701 47.289 -33.790 1.00 0.00 O ATOM 898 CB THR A 62 -31.462 49.575 -31.870 1.00 0.00 C ATOM 899 OG1 THR A 62 -30.408 49.468 -32.817 1.00 0.00 O ATOM 900 CG2 THR A 62 -30.907 50.104 -30.548 1.00 0.00 C ATOM 0 HA THR A 62 -32.627 48.187 -30.703 1.00 0.00 H new ATOM 0 HB THR A 62 -32.221 50.263 -32.242 1.00 0.00 H new ATOM 0 HG1 THR A 62 -30.784 49.423 -33.721 1.00 0.00 H new ATOM 0 HG21 THR A 62 -30.462 51.086 -30.707 1.00 0.00 H new ATOM 0 HG22 THR A 62 -31.715 50.185 -29.821 1.00 0.00 H new ATOM 0 HG23 THR A 62 -30.147 49.419 -30.172 1.00 0.00 H new ATOM 908 N PRO A 63 -34.312 48.294 -32.637 1.00 0.00 N ATOM 909 CA PRO A 63 -35.359 48.060 -33.668 1.00 0.00 C ATOM 910 C PRO A 63 -34.818 48.210 -35.089 1.00 0.00 C ATOM 911 O PRO A 63 -35.072 47.371 -35.952 1.00 0.00 O ATOM 912 CB PRO A 63 -36.397 49.137 -33.358 1.00 0.00 C ATOM 913 CG PRO A 63 -36.291 49.373 -31.884 1.00 0.00 C ATOM 914 CD PRO A 63 -34.854 49.019 -31.474 1.00 0.00 C ATOM 0 HA PRO A 63 -35.758 47.046 -33.632 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -36.196 50.050 -33.918 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -37.399 48.808 -33.633 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -36.516 50.412 -31.643 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -37.009 48.757 -31.342 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -34.271 49.914 -31.256 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -34.837 48.401 -30.577 1.00 0.00 H new ATOM 922 N GLU A 64 -34.073 49.286 -35.321 1.00 0.00 N ATOM 923 CA GLU A 64 -33.505 49.542 -36.639 1.00 0.00 C ATOM 924 C GLU A 64 -32.698 48.340 -37.122 1.00 0.00 C ATOM 925 O GLU A 64 -32.863 47.883 -38.253 1.00 0.00 O ATOM 926 CB GLU A 64 -32.603 50.777 -36.587 1.00 0.00 C ATOM 927 CG GLU A 64 -32.303 51.254 -38.009 1.00 0.00 C ATOM 928 CD GLU A 64 -31.497 52.547 -37.965 1.00 0.00 C ATOM 929 OE1 GLU A 64 -30.930 52.834 -36.924 1.00 0.00 O ATOM 930 OE2 GLU A 64 -31.458 53.232 -38.974 1.00 0.00 O ATOM 0 H GLU A 64 -33.850 49.991 -34.618 1.00 0.00 H new ATOM 0 HA GLU A 64 -34.323 49.717 -37.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -33.090 51.572 -36.021 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -31.674 50.540 -36.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -31.747 50.487 -38.549 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -33.234 51.415 -38.552 1.00 0.00 H new ATOM 937 N GLN A 65 -31.823 47.833 -36.259 1.00 0.00 N ATOM 938 CA GLN A 65 -30.992 46.686 -36.610 1.00 0.00 C ATOM 939 C GLN A 65 -31.863 45.480 -36.959 1.00 0.00 C ATOM 940 O GLN A 65 -31.874 45.021 -38.101 1.00 0.00 O ATOM 941 CB GLN A 65 -30.064 46.336 -35.439 1.00 0.00 C ATOM 942 CG GLN A 65 -28.716 47.042 -35.616 1.00 0.00 C ATOM 943 CD GLN A 65 -28.924 48.551 -35.666 1.00 0.00 C ATOM 944 OE1 GLN A 65 -30.005 49.064 -35.148 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 -28.082 49.278 -36.191 1.00 0.00 N flip ATOM 0 H GLN A 65 -31.671 48.195 -35.318 1.00 0.00 H new ATOM 0 HA GLN A 65 -30.391 46.946 -37.481 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -30.522 46.638 -34.497 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -29.916 45.257 -35.390 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -28.050 46.785 -34.792 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -28.235 46.702 -36.533 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -27.238 48.872 -36.595 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -28.228 50.287 -36.222 1.00 0.00 H new ATOM 954 N MET A 66 -32.586 44.968 -35.968 1.00 0.00 N ATOM 955 CA MET A 66 -33.450 43.812 -36.186 1.00 0.00 C ATOM 956 C MET A 66 -34.405 44.066 -37.349 1.00 0.00 C ATOM 957 O MET A 66 -34.674 43.170 -38.149 1.00 0.00 O ATOM 958 CB MET A 66 -34.253 43.509 -34.920 1.00 0.00 C ATOM 959 CG MET A 66 -34.938 44.785 -34.428 1.00 0.00 C ATOM 960 SD MET A 66 -35.770 44.455 -32.856 1.00 0.00 S ATOM 961 CE MET A 66 -37.363 43.944 -33.545 1.00 0.00 C ATOM 0 H MET A 66 -32.592 45.331 -35.015 1.00 0.00 H new ATOM 0 HA MET A 66 -32.821 42.956 -36.428 1.00 0.00 H new ATOM 0 HB2 MET A 66 -34.998 42.740 -35.125 1.00 0.00 H new ATOM 0 HB3 MET A 66 -33.595 43.116 -34.145 1.00 0.00 H new ATOM 0 HG2 MET A 66 -34.203 45.580 -34.303 1.00 0.00 H new ATOM 0 HG3 MET A 66 -35.660 45.132 -35.168 1.00 0.00 H new ATOM 0 HE1 MET A 66 -38.045 43.689 -32.734 1.00 0.00 H new ATOM 0 HE2 MET A 66 -37.785 44.761 -34.131 1.00 0.00 H new ATOM 0 HE3 MET A 66 -37.220 43.074 -34.186 1.00 0.00 H new ATOM 971 N ALA A 67 -34.913 45.290 -37.436 1.00 0.00 N ATOM 972 CA ALA A 67 -35.837 45.649 -38.506 1.00 0.00 C ATOM 973 C ALA A 67 -35.134 45.594 -39.859 1.00 0.00 C ATOM 974 O ALA A 67 -35.534 44.841 -40.748 1.00 0.00 O ATOM 975 CB ALA A 67 -36.388 47.056 -38.272 1.00 0.00 C ATOM 0 H ALA A 67 -34.703 46.046 -36.784 1.00 0.00 H new ATOM 0 HA ALA A 67 -36.660 44.934 -38.506 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -37.077 47.315 -39.076 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -36.915 47.086 -37.318 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -35.565 47.771 -38.255 1.00 0.00 H new ATOM 981 N LYS A 68 -34.085 46.396 -40.007 1.00 0.00 N ATOM 982 CA LYS A 68 -33.332 46.430 -41.256 1.00 0.00 C ATOM 983 C LYS A 68 -32.832 45.035 -41.619 1.00 0.00 C ATOM 984 O LYS A 68 -33.098 44.535 -42.711 1.00 0.00 O ATOM 985 CB LYS A 68 -32.143 47.386 -41.122 1.00 0.00 C ATOM 986 CG LYS A 68 -32.630 48.840 -41.206 1.00 0.00 C ATOM 987 CD LYS A 68 -32.695 49.286 -42.674 1.00 0.00 C ATOM 988 CE LYS A 68 -31.320 49.788 -43.129 1.00 0.00 C ATOM 989 NZ LYS A 68 -31.175 51.227 -42.773 1.00 0.00 N ATOM 0 H LYS A 68 -33.739 47.027 -39.284 1.00 0.00 H new ATOM 0 HA LYS A 68 -33.992 46.782 -42.049 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -31.635 47.218 -40.172 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -31.417 47.190 -41.911 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -33.614 48.930 -40.746 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -31.956 49.491 -40.649 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -33.014 48.454 -43.302 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -33.437 50.076 -42.790 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -30.532 49.204 -42.654 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -31.210 49.656 -44.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -30.242 51.569 -43.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -31.919 51.778 -43.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -31.262 51.340 -41.743 1.00 0.00 H new ATOM 1003 N GLU A 69 -32.106 44.414 -40.695 1.00 0.00 N ATOM 1004 CA GLU A 69 -31.573 43.077 -40.930 1.00 0.00 C ATOM 1005 C GLU A 69 -32.668 42.146 -41.439 1.00 0.00 C ATOM 1006 O GLU A 69 -32.549 41.564 -42.518 1.00 0.00 O ATOM 1007 CB GLU A 69 -30.980 42.515 -39.637 1.00 0.00 C ATOM 1008 CG GLU A 69 -29.733 43.314 -39.257 1.00 0.00 C ATOM 1009 CD GLU A 69 -29.319 42.986 -37.827 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -30.157 43.097 -36.948 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -28.169 42.627 -37.631 1.00 0.00 O ATOM 0 H GLU A 69 -31.875 44.811 -39.784 1.00 0.00 H new ATOM 0 HA GLU A 69 -30.791 43.146 -41.686 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -31.716 42.566 -38.835 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -30.725 41.463 -39.769 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.919 43.080 -39.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -29.932 44.381 -39.351 1.00 0.00 H new ATOM 1018 N MET A 70 -33.732 42.007 -40.656 1.00 0.00 N ATOM 1019 CA MET A 70 -34.842 41.141 -41.039 1.00 0.00 C ATOM 1020 C MET A 70 -35.372 41.526 -42.416 1.00 0.00 C ATOM 1021 O MET A 70 -35.392 40.707 -43.334 1.00 0.00 O ATOM 1022 CB MET A 70 -35.970 41.250 -40.008 1.00 0.00 C ATOM 1023 CG MET A 70 -35.573 40.503 -38.732 1.00 0.00 C ATOM 1024 SD MET A 70 -35.784 38.724 -38.986 1.00 0.00 S ATOM 1025 CE MET A 70 -34.711 38.172 -37.637 1.00 0.00 C ATOM 0 H MET A 70 -33.850 42.478 -39.759 1.00 0.00 H new ATOM 0 HA MET A 70 -34.480 40.113 -41.075 1.00 0.00 H new ATOM 0 HB2 MET A 70 -36.169 42.297 -39.781 1.00 0.00 H new ATOM 0 HB3 MET A 70 -36.890 40.831 -40.415 1.00 0.00 H new ATOM 0 HG2 MET A 70 -34.537 40.724 -38.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 -36.187 40.837 -37.896 1.00 0.00 H new ATOM 0 HE1 MET A 70 -34.694 37.083 -37.609 1.00 0.00 H new ATOM 0 HE2 MET A 70 -33.700 38.547 -37.799 1.00 0.00 H new ATOM 0 HE3 MET A 70 -35.092 38.554 -36.690 1.00 0.00 H new ATOM 1035 N SER A 71 -35.799 42.777 -42.553 1.00 0.00 N ATOM 1036 CA SER A 71 -36.328 43.258 -43.823 1.00 0.00 C ATOM 1037 C SER A 71 -35.395 42.879 -44.969 1.00 0.00 C ATOM 1038 O SER A 71 -35.816 42.257 -45.944 1.00 0.00 O ATOM 1039 CB SER A 71 -36.491 44.778 -43.778 1.00 0.00 C ATOM 1040 OG SER A 71 -36.549 45.284 -45.105 1.00 0.00 O ATOM 0 H SER A 71 -35.789 43.471 -41.806 1.00 0.00 H new ATOM 0 HA SER A 71 -37.300 42.793 -43.990 1.00 0.00 H new ATOM 0 HB2 SER A 71 -37.399 45.042 -43.236 1.00 0.00 H new ATOM 0 HB3 SER A 71 -35.657 45.229 -43.241 1.00 0.00 H new ATOM 0 HG SER A 71 -36.655 46.258 -45.079 1.00 0.00 H new ATOM 1046 N GLU A 72 -34.129 43.259 -44.842 1.00 0.00 N ATOM 1047 CA GLU A 72 -33.143 42.957 -45.871 1.00 0.00 C ATOM 1048 C GLU A 72 -33.014 41.449 -46.070 1.00 0.00 C ATOM 1049 O GLU A 72 -32.991 40.963 -47.200 1.00 0.00 O ATOM 1050 CB GLU A 72 -31.787 43.539 -45.472 1.00 0.00 C ATOM 1051 CG GLU A 72 -30.852 43.541 -46.683 1.00 0.00 C ATOM 1052 CD GLU A 72 -31.202 44.698 -47.613 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -32.125 44.544 -48.396 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -30.543 45.721 -47.527 1.00 0.00 O ATOM 0 H GLU A 72 -33.763 43.774 -44.041 1.00 0.00 H new ATOM 0 HA GLU A 72 -33.473 43.405 -46.808 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -31.912 44.554 -45.095 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -31.351 42.951 -44.664 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -29.817 43.630 -46.353 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -30.936 42.595 -47.219 1.00 0.00 H new ATOM 1061 N PHE A 73 -32.929 40.717 -44.964 1.00 0.00 N ATOM 1062 CA PHE A 73 -32.801 39.265 -45.030 1.00 0.00 C ATOM 1063 C PHE A 73 -34.008 38.651 -45.730 1.00 0.00 C ATOM 1064 O PHE A 73 -33.876 38.031 -46.786 1.00 0.00 O ATOM 1065 CB PHE A 73 -32.679 38.689 -43.616 1.00 0.00 C ATOM 1066 CG PHE A 73 -32.094 37.296 -43.681 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -32.873 36.229 -44.146 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -30.772 37.071 -43.277 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -32.331 34.940 -44.206 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -30.230 35.782 -43.338 1.00 0.00 C ATOM 1071 CZ PHE A 73 -31.009 34.717 -43.803 1.00 0.00 C ATOM 0 H PHE A 73 -32.946 41.101 -44.019 1.00 0.00 H new ATOM 0 HA PHE A 73 -31.905 39.023 -45.601 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -32.045 39.332 -43.005 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -33.659 38.660 -43.139 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -33.892 36.401 -44.458 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -30.170 37.893 -42.918 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -32.933 34.117 -44.563 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -29.210 35.610 -43.026 1.00 0.00 H new ATOM 0 HZ PHE A 73 -30.590 33.723 -43.851 1.00 0.00 H new ATOM 1081 N LEU A 74 -35.184 38.826 -45.135 1.00 0.00 N ATOM 1082 CA LEU A 74 -36.408 38.282 -45.710 1.00 0.00 C ATOM 1083 C LEU A 74 -36.605 38.789 -47.134 1.00 0.00 C ATOM 1084 O LEU A 74 -36.996 38.035 -48.024 1.00 0.00 O ATOM 1085 CB LEU A 74 -37.613 38.684 -44.854 1.00 0.00 C ATOM 1086 CG LEU A 74 -37.375 38.269 -43.398 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -38.415 38.942 -42.501 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -37.497 36.747 -43.265 1.00 0.00 C ATOM 0 H LEU A 74 -35.314 39.336 -44.262 1.00 0.00 H new ATOM 0 HA LEU A 74 -36.323 37.196 -45.731 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -37.771 39.761 -44.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -38.517 38.208 -45.235 1.00 0.00 H new ATOM 0 HG LEU A 74 -36.374 38.578 -43.095 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -38.247 38.648 -41.465 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -38.326 40.025 -42.590 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -39.414 38.634 -42.808 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -37.327 36.458 -42.228 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -38.496 36.434 -43.570 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -36.755 36.265 -43.902 1.00 0.00 H new