USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 897 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 110 GLN : amide:sc= 0.581 K(o=1.3,f=-2.9) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 176:sc= 0.7 (180deg=0) USER MOD Set 2.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.3) USER MOD Set 3.1: A 62 SER OG : rot 33:sc= 1.1 USER MOD Set 3.2: A 90 ASN : amide:sc= 0.725 K(o=1.8,f=-3.8!) USER MOD Set 4.1: A 11 GLN : amide:sc= 1.12 K(o=1.8,f=0.83) USER MOD Set 4.2: A 109 SER OG : rot 180:sc= 0.722 USER MOD Single : A 1 SER N :NH3+ 180:sc= -0.0334 (180deg=-0.0334) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0828 X(o=-0.083,f=-0.083) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 63 MET CE :methyl -173:sc= 0 (180deg=-0.0371) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -146:sc= 1.26 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 2.34 (180deg=2.27) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -120:sc= 0.545 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -75:sc= 1.22 USER MOD Single : A 91 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.37) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0.297 X(o=0.3,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.200 -5.529 13.143 1.00 1.97 N ATOM 2 CA SER A 1 18.315 -4.143 13.640 1.00 2.03 C ATOM 3 C SER A 1 18.278 -3.078 12.522 1.00 2.08 C ATOM 4 O SER A 1 18.191 -1.883 12.808 1.00 2.35 O ATOM 5 CB SER A 1 19.576 -3.978 14.503 1.00 2.58 C ATOM 6 OG SER A 1 19.512 -4.793 15.662 1.00 2.67 O ATOM 0 H1 SER A 1 18.232 -6.189 13.946 1.00 1.97 H new ATOM 0 H2 SER A 1 17.299 -5.643 12.637 1.00 1.97 H new ATOM 0 H3 SER A 1 18.988 -5.732 12.496 1.00 1.97 H new ATOM 0 HA SER A 1 17.431 -3.969 14.254 1.00 2.03 H new ATOM 0 HB2 SER A 1 20.458 -4.241 13.918 1.00 2.58 H new ATOM 0 HB3 SER A 1 19.687 -2.934 14.795 1.00 2.58 H new ATOM 0 HG SER A 1 20.327 -4.671 16.193 1.00 2.67 H new ATOM 12 N GLU A 2 18.313 -3.486 11.250 1.00 2.27 N ATOM 13 CA GLU A 2 18.126 -2.633 10.062 1.00 2.40 C ATOM 14 C GLU A 2 16.691 -2.736 9.518 1.00 1.98 C ATOM 15 O GLU A 2 16.077 -1.719 9.179 1.00 1.88 O ATOM 16 CB GLU A 2 19.145 -3.032 8.981 1.00 3.01 C ATOM 17 CG GLU A 2 20.581 -2.627 9.330 1.00 3.14 C ATOM 18 CD GLU A 2 21.584 -3.304 8.390 1.00 4.36 C ATOM 19 OE1 GLU A 2 21.603 -2.958 7.181 1.00 5.08 O ATOM 20 OE2 GLU A 2 22.356 -4.183 8.850 1.00 5.29 O ATOM 0 H GLU A 2 18.479 -4.462 11.004 1.00 2.27 H new ATOM 0 HA GLU A 2 18.291 -1.595 10.350 1.00 2.40 H new ATOM 0 HB2 GLU A 2 19.104 -4.111 8.832 1.00 3.01 H new ATOM 0 HB3 GLU A 2 18.863 -2.569 8.035 1.00 3.01 H new ATOM 0 HG2 GLU A 2 20.685 -1.544 9.260 1.00 3.14 H new ATOM 0 HG3 GLU A 2 20.800 -2.902 10.362 1.00 3.14 H new ATOM 27 N ALA A 3 16.116 -3.943 9.510 1.00 1.86 N ATOM 28 CA ALA A 3 14.715 -4.183 9.165 1.00 1.66 C ATOM 29 C ALA A 3 13.755 -3.490 10.154 1.00 1.16 C ATOM 30 O ALA A 3 12.763 -2.893 9.737 1.00 1.00 O ATOM 31 CB ALA A 3 14.488 -5.699 9.112 1.00 1.91 C ATOM 0 H ALA A 3 16.623 -4.795 9.748 1.00 1.86 H new ATOM 0 HA ALA A 3 14.498 -3.749 8.189 1.00 1.66 H new ATOM 0 HB1 ALA A 3 13.448 -5.902 8.856 1.00 1.91 H new ATOM 0 HB2 ALA A 3 15.140 -6.138 8.357 1.00 1.91 H new ATOM 0 HB3 ALA A 3 14.714 -6.135 10.085 1.00 1.91 H new ATOM 37 N LEU A 4 14.104 -3.485 11.449 1.00 1.11 N ATOM 38 CA LEU A 4 13.370 -2.767 12.501 1.00 0.94 C ATOM 39 C LEU A 4 13.205 -1.268 12.183 1.00 1.04 C ATOM 40 O LEU A 4 12.161 -0.692 12.488 1.00 1.19 O ATOM 41 CB LEU A 4 14.097 -2.975 13.846 1.00 1.23 C ATOM 42 CG LEU A 4 13.392 -2.341 15.060 1.00 1.57 C ATOM 43 CD1 LEU A 4 12.130 -3.116 15.412 1.00 1.57 C ATOM 44 CD2 LEU A 4 14.290 -2.366 16.289 1.00 2.10 C ATOM 0 H LEU A 4 14.918 -3.989 11.800 1.00 1.11 H new ATOM 0 HA LEU A 4 12.361 -3.175 12.560 1.00 0.94 H new ATOM 0 HB2 LEU A 4 14.206 -4.045 14.024 1.00 1.23 H new ATOM 0 HB3 LEU A 4 15.102 -2.561 13.769 1.00 1.23 H new ATOM 0 HG LEU A 4 13.152 -1.314 14.785 1.00 1.57 H new ATOM 0 HD11 LEU A 4 11.646 -2.653 16.272 1.00 1.57 H new ATOM 0 HD12 LEU A 4 11.447 -3.105 14.562 1.00 1.57 H new ATOM 0 HD13 LEU A 4 12.391 -4.146 15.654 1.00 1.57 H new ATOM 0 HD21 LEU A 4 13.767 -1.912 17.131 1.00 2.10 H new ATOM 0 HD22 LEU A 4 14.544 -3.397 16.533 1.00 2.10 H new ATOM 0 HD23 LEU A 4 15.203 -1.806 16.084 1.00 2.10 H new ATOM 56 N ALA A 5 14.204 -0.638 11.555 1.00 1.30 N ATOM 57 CA ALA A 5 14.076 0.715 11.014 1.00 1.51 C ATOM 58 C ALA A 5 13.229 0.750 9.727 1.00 1.16 C ATOM 59 O ALA A 5 12.320 1.575 9.609 1.00 1.13 O ATOM 60 CB ALA A 5 15.477 1.300 10.806 1.00 2.06 C ATOM 0 H ALA A 5 15.124 -1.054 11.409 1.00 1.30 H new ATOM 0 HA ALA A 5 13.537 1.335 11.730 1.00 1.51 H new ATOM 0 HB1 ALA A 5 15.394 2.309 10.403 1.00 2.06 H new ATOM 0 HB2 ALA A 5 16.003 1.333 11.760 1.00 2.06 H new ATOM 0 HB3 ALA A 5 16.032 0.675 10.107 1.00 2.06 H new ATOM 66 N LYS A 6 13.509 -0.161 8.777 1.00 1.06 N ATOM 67 CA LYS A 6 12.907 -0.167 7.431 1.00 0.97 C ATOM 68 C LYS A 6 11.380 -0.302 7.448 1.00 0.83 C ATOM 69 O LYS A 6 10.733 0.311 6.608 1.00 0.91 O ATOM 70 CB LYS A 6 13.584 -1.222 6.527 1.00 1.16 C ATOM 71 CG LYS A 6 13.212 -1.035 5.040 1.00 1.38 C ATOM 72 CD LYS A 6 14.023 -1.925 4.080 1.00 1.97 C ATOM 73 CE LYS A 6 13.715 -1.558 2.615 1.00 2.35 C ATOM 74 NZ LYS A 6 14.543 -2.320 1.646 1.00 3.04 N ATOM 0 H LYS A 6 14.169 -0.924 8.925 1.00 1.06 H new ATOM 0 HA LYS A 6 13.099 0.814 6.997 1.00 0.97 H new ATOM 0 HB2 LYS A 6 14.666 -1.156 6.641 1.00 1.16 H new ATOM 0 HB3 LYS A 6 13.289 -2.220 6.852 1.00 1.16 H new ATOM 0 HG2 LYS A 6 12.151 -1.250 4.911 1.00 1.38 H new ATOM 0 HG3 LYS A 6 13.362 0.009 4.766 1.00 1.38 H new ATOM 0 HD2 LYS A 6 15.089 -1.804 4.275 1.00 1.97 H new ATOM 0 HD3 LYS A 6 13.783 -2.974 4.257 1.00 1.97 H new ATOM 0 HE2 LYS A 6 12.661 -1.746 2.412 1.00 2.35 H new ATOM 0 HE3 LYS A 6 13.883 -0.491 2.469 1.00 2.35 H new ATOM 0 HZ1 LYS A 6 14.295 -2.034 0.677 1.00 3.04 H new ATOM 0 HZ2 LYS A 6 15.549 -2.122 1.818 1.00 3.04 H new ATOM 0 HZ3 LYS A 6 14.365 -3.338 1.763 1.00 3.04 H new ATOM 88 N LEU A 7 10.777 -1.012 8.409 1.00 0.79 N ATOM 89 CA LEU A 7 9.306 -1.096 8.531 1.00 0.92 C ATOM 90 C LEU A 7 8.634 0.275 8.771 1.00 1.07 C ATOM 91 O LEU A 7 7.546 0.530 8.248 1.00 1.31 O ATOM 92 CB LEU A 7 8.921 -2.106 9.635 1.00 0.95 C ATOM 93 CG LEU A 7 8.724 -3.578 9.215 1.00 0.91 C ATOM 94 CD1 LEU A 7 7.709 -3.744 8.084 1.00 1.03 C ATOM 95 CD2 LEU A 7 10.011 -4.270 8.783 1.00 0.98 C ATOM 0 H LEU A 7 11.283 -1.541 9.119 1.00 0.79 H new ATOM 0 HA LEU A 7 8.927 -1.449 7.572 1.00 0.92 H new ATOM 0 HB2 LEU A 7 9.694 -2.076 10.403 1.00 0.95 H new ATOM 0 HB3 LEU A 7 7.997 -1.762 10.099 1.00 0.95 H new ATOM 0 HG LEU A 7 8.351 -4.051 10.124 1.00 0.91 H new ATOM 0 HD11 LEU A 7 7.614 -4.800 7.833 1.00 1.03 H new ATOM 0 HD12 LEU A 7 6.741 -3.358 8.404 1.00 1.03 H new ATOM 0 HD13 LEU A 7 8.048 -3.192 7.207 1.00 1.03 H new ATOM 0 HD21 LEU A 7 9.793 -5.301 8.503 1.00 0.98 H new ATOM 0 HD22 LEU A 7 10.438 -3.744 7.929 1.00 0.98 H new ATOM 0 HD23 LEU A 7 10.723 -4.261 9.608 1.00 0.98 H new ATOM 107 N ILE A 8 9.274 1.174 9.526 1.00 1.08 N ATOM 108 CA ILE A 8 8.844 2.579 9.640 1.00 1.25 C ATOM 109 C ILE A 8 9.176 3.377 8.369 1.00 1.12 C ATOM 110 O ILE A 8 8.338 4.146 7.897 1.00 1.14 O ATOM 111 CB ILE A 8 9.390 3.224 10.934 1.00 1.50 C ATOM 112 CG1 ILE A 8 8.845 2.505 12.192 1.00 1.69 C ATOM 113 CG2 ILE A 8 9.078 4.728 11.011 1.00 1.73 C ATOM 114 CD1 ILE A 8 7.314 2.464 12.339 1.00 1.89 C ATOM 0 H ILE A 8 10.104 0.953 10.076 1.00 1.08 H new ATOM 0 HA ILE A 8 7.757 2.600 9.725 1.00 1.25 H new ATOM 0 HB ILE A 8 10.474 3.109 10.904 1.00 1.50 H new ATOM 0 HG12 ILE A 8 9.217 1.480 12.190 1.00 1.69 H new ATOM 0 HG13 ILE A 8 9.261 2.993 13.073 1.00 1.69 H new ATOM 0 HG21 ILE A 8 9.482 5.136 11.938 1.00 1.73 H new ATOM 0 HG22 ILE A 8 9.532 5.238 10.162 1.00 1.73 H new ATOM 0 HG23 ILE A 8 7.999 4.877 10.989 1.00 1.73 H new ATOM 0 HD11 ILE A 8 7.050 1.936 13.256 1.00 1.89 H new ATOM 0 HD12 ILE A 8 6.925 3.481 12.382 1.00 1.89 H new ATOM 0 HD13 ILE A 8 6.880 1.945 11.484 1.00 1.89 H new ATOM 126 N SER A 9 10.349 3.155 7.768 1.00 1.05 N ATOM 127 CA SER A 9 10.801 3.872 6.562 1.00 1.07 C ATOM 128 C SER A 9 9.964 3.555 5.315 1.00 0.96 C ATOM 129 O SER A 9 9.797 4.418 4.455 1.00 1.00 O ATOM 130 CB SER A 9 12.268 3.546 6.256 1.00 1.23 C ATOM 131 OG SER A 9 13.067 3.595 7.421 1.00 1.63 O ATOM 0 H SER A 9 11.021 2.466 8.105 1.00 1.05 H new ATOM 0 HA SER A 9 10.679 4.931 6.789 1.00 1.07 H new ATOM 0 HB2 SER A 9 12.335 2.554 5.810 1.00 1.23 H new ATOM 0 HB3 SER A 9 12.652 4.253 5.521 1.00 1.23 H new ATOM 0 HG SER A 9 13.995 3.381 7.190 1.00 1.63 H new ATOM 137 N LEU A 10 9.406 2.345 5.218 1.00 0.96 N ATOM 138 CA LEU A 10 8.570 1.853 4.115 1.00 1.10 C ATOM 139 C LEU A 10 7.251 2.625 3.939 1.00 1.13 C ATOM 140 O LEU A 10 6.611 2.495 2.894 1.00 1.33 O ATOM 141 CB LEU A 10 8.270 0.360 4.388 1.00 1.28 C ATOM 142 CG LEU A 10 9.309 -0.602 3.785 1.00 1.51 C ATOM 143 CD1 LEU A 10 9.278 -1.960 4.489 1.00 2.38 C ATOM 144 CD2 LEU A 10 9.004 -0.869 2.313 1.00 1.17 C ATOM 0 H LEU A 10 9.531 1.642 5.946 1.00 0.96 H new ATOM 0 HA LEU A 10 9.121 2.000 3.186 1.00 1.10 H new ATOM 0 HB2 LEU A 10 8.222 0.200 5.465 1.00 1.28 H new ATOM 0 HB3 LEU A 10 7.287 0.117 3.985 1.00 1.28 H new ATOM 0 HG LEU A 10 10.282 -0.126 3.907 1.00 1.51 H new ATOM 0 HD11 LEU A 10 10.022 -2.619 4.042 1.00 2.38 H new ATOM 0 HD12 LEU A 10 9.501 -1.826 5.548 1.00 2.38 H new ATOM 0 HD13 LEU A 10 8.288 -2.404 4.380 1.00 2.38 H new ATOM 0 HD21 LEU A 10 9.750 -1.551 1.905 1.00 1.17 H new ATOM 0 HD22 LEU A 10 8.014 -1.317 2.222 1.00 1.17 H new ATOM 0 HD23 LEU A 10 9.030 0.070 1.760 1.00 1.17 H new ATOM 156 N GLN A 11 6.819 3.382 4.948 1.00 1.10 N ATOM 157 CA GLN A 11 5.499 4.014 5.006 1.00 1.25 C ATOM 158 C GLN A 11 5.463 5.387 4.311 1.00 1.26 C ATOM 159 O GLN A 11 6.461 6.116 4.292 1.00 1.29 O ATOM 160 CB GLN A 11 5.042 4.032 6.467 1.00 1.37 C ATOM 161 CG GLN A 11 4.575 2.623 6.840 1.00 1.27 C ATOM 162 CD GLN A 11 4.155 2.570 8.285 1.00 1.54 C ATOM 163 OE1 GLN A 11 3.074 3.009 8.671 1.00 1.83 O ATOM 164 NE2 GLN A 11 4.999 2.065 9.141 1.00 2.46 N ATOM 0 H GLN A 11 7.392 3.578 5.769 1.00 1.10 H new ATOM 0 HA GLN A 11 4.781 3.429 4.432 1.00 1.25 H new ATOM 0 HB2 GLN A 11 5.859 4.346 7.117 1.00 1.37 H new ATOM 0 HB3 GLN A 11 4.233 4.749 6.603 1.00 1.37 H new ATOM 0 HG2 GLN A 11 3.741 2.329 6.202 1.00 1.27 H new ATOM 0 HG3 GLN A 11 5.379 1.909 6.663 1.00 1.27 H new ATOM 0 HE21 GLN A 11 5.896 1.701 8.819 1.00 2.46 H new ATOM 0 HE22 GLN A 11 4.762 2.034 10.133 1.00 2.46 H new ATOM 173 N ALA A 12 4.316 5.725 3.715 1.00 1.37 N ATOM 174 CA ALA A 12 4.109 6.908 2.870 1.00 1.34 C ATOM 175 C ALA A 12 3.226 7.979 3.540 1.00 1.30 C ATOM 176 O ALA A 12 2.404 7.670 4.403 1.00 2.04 O ATOM 177 CB ALA A 12 3.529 6.441 1.528 1.00 1.41 C ATOM 0 H ALA A 12 3.472 5.161 3.811 1.00 1.37 H new ATOM 0 HA ALA A 12 5.068 7.400 2.709 1.00 1.34 H new ATOM 0 HB1 ALA A 12 3.366 7.304 0.882 1.00 1.41 H new ATOM 0 HB2 ALA A 12 4.228 5.755 1.049 1.00 1.41 H new ATOM 0 HB3 ALA A 12 2.581 5.932 1.699 1.00 1.41 H new ATOM 183 N THR A 13 3.397 9.240 3.135 1.00 1.19 N ATOM 184 CA THR A 13 2.779 10.430 3.759 1.00 1.19 C ATOM 185 C THR A 13 1.552 10.946 2.998 1.00 0.97 C ATOM 186 O THR A 13 0.666 11.538 3.613 1.00 1.00 O ATOM 187 CB THR A 13 3.833 11.550 3.889 1.00 1.42 C ATOM 188 OG1 THR A 13 5.000 11.041 4.506 1.00 2.11 O ATOM 189 CG2 THR A 13 3.406 12.749 4.730 1.00 2.13 C ATOM 0 H THR A 13 3.988 9.477 2.338 1.00 1.19 H new ATOM 0 HA THR A 13 2.424 10.126 4.744 1.00 1.19 H new ATOM 0 HB THR A 13 3.989 11.889 2.865 1.00 1.42 H new ATOM 0 HG1 THR A 13 5.666 11.755 4.585 1.00 2.11 H new ATOM 0 HG21 THR A 13 4.215 13.479 4.760 1.00 2.13 H new ATOM 0 HG22 THR A 13 2.521 13.206 4.288 1.00 2.13 H new ATOM 0 HG23 THR A 13 3.177 12.420 5.743 1.00 2.13 H new ATOM 197 N GLU A 14 1.460 10.727 1.683 1.00 0.89 N ATOM 198 CA GLU A 14 0.455 11.328 0.790 1.00 0.84 C ATOM 199 C GLU A 14 -0.187 10.320 -0.189 1.00 0.85 C ATOM 200 O GLU A 14 0.440 9.330 -0.576 1.00 0.91 O ATOM 201 CB GLU A 14 1.074 12.525 0.043 1.00 0.96 C ATOM 202 CG GLU A 14 2.301 12.217 -0.840 1.00 1.16 C ATOM 203 CD GLU A 14 3.610 12.018 -0.055 1.00 2.27 C ATOM 204 OE1 GLU A 14 4.337 13.015 0.186 1.00 3.20 O ATOM 205 OE2 GLU A 14 3.947 10.863 0.299 1.00 3.42 O ATOM 0 H GLU A 14 2.103 10.106 1.191 1.00 0.89 H new ATOM 0 HA GLU A 14 -0.365 11.676 1.418 1.00 0.84 H new ATOM 0 HB2 GLU A 14 0.304 12.972 -0.585 1.00 0.96 H new ATOM 0 HB3 GLU A 14 1.361 13.276 0.779 1.00 0.96 H new ATOM 0 HG2 GLU A 14 2.099 11.318 -1.422 1.00 1.16 H new ATOM 0 HG3 GLU A 14 2.437 13.032 -1.550 1.00 1.16 H new ATOM 212 N ALA A 15 -1.443 10.562 -0.589 1.00 0.82 N ATOM 213 CA ALA A 15 -2.238 9.704 -1.479 1.00 0.85 C ATOM 214 C ALA A 15 -3.149 10.500 -2.448 1.00 0.84 C ATOM 215 O ALA A 15 -3.296 11.718 -2.320 1.00 1.02 O ATOM 216 CB ALA A 15 -3.059 8.755 -0.594 1.00 0.86 C ATOM 0 H ALA A 15 -1.953 11.393 -0.290 1.00 0.82 H new ATOM 0 HA ALA A 15 -1.561 9.146 -2.127 1.00 0.85 H new ATOM 0 HB1 ALA A 15 -3.663 8.102 -1.224 1.00 0.86 H new ATOM 0 HB2 ALA A 15 -2.386 8.151 0.015 1.00 0.86 H new ATOM 0 HB3 ALA A 15 -3.712 9.337 0.056 1.00 0.86 H new ATOM 222 N THR A 16 -3.784 9.796 -3.396 1.00 0.70 N ATOM 223 CA THR A 16 -4.844 10.318 -4.291 1.00 0.60 C ATOM 224 C THR A 16 -6.172 9.560 -4.120 1.00 0.48 C ATOM 225 O THR A 16 -6.307 8.437 -4.610 1.00 0.53 O ATOM 226 CB THR A 16 -4.395 10.312 -5.765 1.00 0.73 C ATOM 227 OG1 THR A 16 -3.275 11.154 -5.943 1.00 0.99 O ATOM 228 CG2 THR A 16 -5.461 10.865 -6.714 1.00 0.77 C ATOM 0 H THR A 16 -3.572 8.814 -3.572 1.00 0.70 H new ATOM 0 HA THR A 16 -5.019 11.353 -3.996 1.00 0.60 H new ATOM 0 HB THR A 16 -4.183 9.268 -5.994 1.00 0.73 H new ATOM 0 HG1 THR A 16 -3.000 11.139 -6.884 1.00 0.99 H new ATOM 0 HG21 THR A 16 -5.087 10.836 -7.738 1.00 0.77 H new ATOM 0 HG22 THR A 16 -6.364 10.259 -6.640 1.00 0.77 H new ATOM 0 HG23 THR A 16 -5.692 11.895 -6.442 1.00 0.77 H new ATOM 236 N ILE A 17 -7.171 10.164 -3.460 1.00 0.40 N ATOM 237 CA ILE A 17 -8.534 9.602 -3.326 1.00 0.43 C ATOM 238 C ILE A 17 -9.340 9.912 -4.594 1.00 0.47 C ATOM 239 O ILE A 17 -9.266 11.024 -5.109 1.00 0.55 O ATOM 240 CB ILE A 17 -9.274 10.138 -2.067 1.00 0.47 C ATOM 241 CG1 ILE A 17 -8.485 9.844 -0.770 1.00 0.52 C ATOM 242 CG2 ILE A 17 -10.699 9.549 -1.970 1.00 0.56 C ATOM 243 CD1 ILE A 17 -9.136 10.356 0.524 1.00 0.60 C ATOM 0 H ILE A 17 -7.060 11.066 -2.997 1.00 0.40 H new ATOM 0 HA ILE A 17 -8.440 8.523 -3.201 1.00 0.43 H new ATOM 0 HB ILE A 17 -9.349 11.220 -2.176 1.00 0.47 H new ATOM 0 HG12 ILE A 17 -8.345 8.766 -0.685 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.493 10.288 -0.859 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -11.194 9.940 -1.081 1.00 0.56 H new ATOM 0 HG22 ILE A 17 -11.269 9.828 -2.856 1.00 0.56 H new ATOM 0 HG23 ILE A 17 -10.640 8.463 -1.904 1.00 0.56 H new ATOM 0 HD11 ILE A 17 -8.505 10.100 1.375 1.00 0.60 H new ATOM 0 HD12 ILE A 17 -9.250 11.439 0.470 1.00 0.60 H new ATOM 0 HD13 ILE A 17 -10.115 9.893 0.646 1.00 0.60 H new ATOM 255 N VAL A 18 -10.155 8.972 -5.079 1.00 0.49 N ATOM 256 CA VAL A 18 -11.097 9.205 -6.187 1.00 0.56 C ATOM 257 C VAL A 18 -12.516 9.415 -5.651 1.00 0.76 C ATOM 258 O VAL A 18 -13.046 8.551 -4.950 1.00 0.94 O ATOM 259 CB VAL A 18 -11.046 8.052 -7.205 1.00 0.83 C ATOM 260 CG1 VAL A 18 -11.968 8.313 -8.405 1.00 1.89 C ATOM 261 CG2 VAL A 18 -9.616 7.840 -7.718 1.00 1.37 C ATOM 0 H VAL A 18 -10.183 8.020 -4.714 1.00 0.49 H new ATOM 0 HA VAL A 18 -10.797 10.115 -6.708 1.00 0.56 H new ATOM 0 HB VAL A 18 -11.388 7.157 -6.685 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.904 7.477 -9.101 1.00 1.89 H new ATOM 0 HG12 VAL A 18 -12.996 8.419 -8.058 1.00 1.89 H new ATOM 0 HG13 VAL A 18 -11.659 9.229 -8.909 1.00 1.89 H new ATOM 0 HG21 VAL A 18 -9.605 7.020 -8.436 1.00 1.37 H new ATOM 0 HG22 VAL A 18 -9.264 8.751 -8.202 1.00 1.37 H new ATOM 0 HG23 VAL A 18 -8.961 7.598 -6.881 1.00 1.37 H new ATOM 271 N THR A 19 -13.144 10.539 -6.015 1.00 0.91 N ATOM 272 CA THR A 19 -14.537 10.870 -5.666 1.00 1.19 C ATOM 273 C THR A 19 -15.333 11.251 -6.919 1.00 1.30 C ATOM 274 O THR A 19 -14.784 11.836 -7.854 1.00 1.22 O ATOM 275 CB THR A 19 -14.574 11.954 -4.576 1.00 1.38 C ATOM 276 OG1 THR A 19 -14.002 11.418 -3.401 1.00 1.43 O ATOM 277 CG2 THR A 19 -15.988 12.383 -4.192 1.00 1.78 C ATOM 0 H THR A 19 -12.691 11.262 -6.573 1.00 0.91 H new ATOM 0 HA THR A 19 -15.023 9.988 -5.248 1.00 1.19 H new ATOM 0 HB THR A 19 -14.041 12.816 -4.978 1.00 1.38 H new ATOM 0 HG1 THR A 19 -14.014 12.095 -2.693 1.00 1.43 H new ATOM 0 HG21 THR A 19 -15.938 13.150 -3.419 1.00 1.78 H new ATOM 0 HG22 THR A 19 -16.497 12.784 -5.068 1.00 1.78 H new ATOM 0 HG23 THR A 19 -16.540 11.522 -3.814 1.00 1.78 H new ATOM 285 N LEU A 20 -16.618 10.882 -6.961 1.00 1.59 N ATOM 286 CA LEU A 20 -17.485 11.038 -8.140 1.00 1.73 C ATOM 287 C LEU A 20 -18.590 12.079 -7.877 1.00 1.95 C ATOM 288 O LEU A 20 -19.372 11.920 -6.940 1.00 2.24 O ATOM 289 CB LEU A 20 -18.020 9.661 -8.580 1.00 1.96 C ATOM 290 CG LEU A 20 -16.952 8.551 -8.712 1.00 2.04 C ATOM 291 CD1 LEU A 20 -17.591 7.229 -9.124 1.00 2.54 C ATOM 292 CD2 LEU A 20 -15.882 8.883 -9.754 1.00 2.31 C ATOM 0 H LEU A 20 -17.095 10.459 -6.165 1.00 1.59 H new ATOM 0 HA LEU A 20 -16.907 11.432 -8.976 1.00 1.73 H new ATOM 0 HB2 LEU A 20 -18.773 9.335 -7.862 1.00 1.96 H new ATOM 0 HB3 LEU A 20 -18.523 9.775 -9.540 1.00 1.96 H new ATOM 0 HG LEU A 20 -16.486 8.474 -7.730 1.00 2.04 H new ATOM 0 HD11 LEU A 20 -16.820 6.463 -9.210 1.00 2.54 H new ATOM 0 HD12 LEU A 20 -18.319 6.927 -8.372 1.00 2.54 H new ATOM 0 HD13 LEU A 20 -18.091 7.350 -10.085 1.00 2.54 H new ATOM 0 HD21 LEU A 20 -15.158 8.069 -9.805 1.00 2.31 H new ATOM 0 HD22 LEU A 20 -16.351 9.012 -10.729 1.00 2.31 H new ATOM 0 HD23 LEU A 20 -15.373 9.804 -9.472 1.00 2.31 H new ATOM 304 N ASP A 21 -18.692 13.127 -8.707 1.00 2.07 N ATOM 305 CA ASP A 21 -19.490 14.342 -8.402 1.00 2.41 C ATOM 306 C ASP A 21 -20.836 14.524 -9.152 1.00 2.57 C ATOM 307 O ASP A 21 -21.539 15.513 -8.919 1.00 2.98 O ATOM 308 CB ASP A 21 -18.568 15.569 -8.555 1.00 2.56 C ATOM 309 CG ASP A 21 -18.935 16.746 -7.645 1.00 3.24 C ATOM 310 OD1 ASP A 21 -19.192 16.536 -6.438 1.00 3.43 O ATOM 311 OD2 ASP A 21 -18.854 17.912 -8.103 1.00 4.20 O ATOM 0 H ASP A 21 -18.225 13.164 -9.613 1.00 2.07 H new ATOM 0 HA ASP A 21 -19.838 14.219 -7.377 1.00 2.41 H new ATOM 0 HB2 ASP A 21 -17.542 15.267 -8.344 1.00 2.56 H new ATOM 0 HB3 ASP A 21 -18.595 15.903 -9.592 1.00 2.56 H new ATOM 316 N SER A 22 -21.220 13.565 -10.006 1.00 2.42 N ATOM 317 CA SER A 22 -22.511 13.547 -10.733 1.00 2.63 C ATOM 318 C SER A 22 -23.234 12.206 -10.559 1.00 2.96 C ATOM 319 O SER A 22 -23.977 12.021 -9.593 1.00 4.09 O ATOM 320 CB SER A 22 -22.379 13.928 -12.223 1.00 2.58 C ATOM 321 OG SER A 22 -22.311 15.326 -12.422 1.00 2.72 O ATOM 0 H SER A 22 -20.633 12.759 -10.220 1.00 2.42 H new ATOM 0 HA SER A 22 -23.124 14.324 -10.277 1.00 2.63 H new ATOM 0 HB2 SER A 22 -21.484 13.462 -12.636 1.00 2.58 H new ATOM 0 HB3 SER A 22 -23.230 13.527 -12.774 1.00 2.58 H new ATOM 0 HG SER A 22 -22.226 15.516 -13.380 1.00 2.72 H new ATOM 327 N ASP A 23 -23.026 11.277 -11.495 1.00 2.77 N ATOM 328 CA ASP A 23 -23.638 9.944 -11.557 1.00 3.05 C ATOM 329 C ASP A 23 -22.590 8.934 -12.063 1.00 3.01 C ATOM 330 O ASP A 23 -22.717 8.368 -13.147 1.00 3.39 O ATOM 331 CB ASP A 23 -24.889 10.020 -12.452 1.00 3.40 C ATOM 332 CG ASP A 23 -25.599 8.672 -12.591 1.00 3.83 C ATOM 333 OD1 ASP A 23 -25.855 8.002 -11.565 1.00 4.25 O ATOM 334 OD2 ASP A 23 -25.947 8.263 -13.725 1.00 4.47 O ATOM 0 H ASP A 23 -22.390 11.443 -12.275 1.00 2.77 H new ATOM 0 HA ASP A 23 -23.961 9.602 -10.574 1.00 3.05 H new ATOM 0 HB2 ASP A 23 -25.583 10.751 -12.037 1.00 3.40 H new ATOM 0 HB3 ASP A 23 -24.602 10.378 -13.441 1.00 3.40 H new ATOM 339 N ASN A 24 -21.471 8.828 -11.337 1.00 2.84 N ATOM 340 CA ASN A 24 -20.227 8.108 -11.663 1.00 2.85 C ATOM 341 C ASN A 24 -19.496 8.481 -12.980 1.00 2.73 C ATOM 342 O ASN A 24 -18.333 8.115 -13.148 1.00 2.86 O ATOM 343 CB ASN A 24 -20.372 6.596 -11.387 1.00 3.34 C ATOM 344 CG ASN A 24 -21.277 5.842 -12.326 1.00 3.65 C ATOM 345 OD1 ASN A 24 -20.915 5.517 -13.452 1.00 4.13 O ATOM 346 ND2 ASN A 24 -22.460 5.510 -11.880 1.00 4.55 N ATOM 0 H ASN A 24 -21.403 9.282 -10.426 1.00 2.84 H new ATOM 0 HA ASN A 24 -19.494 8.501 -10.959 1.00 2.85 H new ATOM 0 HB2 ASN A 24 -19.382 6.142 -11.425 1.00 3.34 H new ATOM 0 HB3 ASN A 24 -20.744 6.465 -10.371 1.00 3.34 H new ATOM 0 HD21 ASN A 24 -23.096 4.974 -12.471 1.00 4.55 H new ATOM 0 HD22 ASN A 24 -22.747 5.787 -10.941 1.00 4.55 H new ATOM 353 N ILE A 25 -20.116 9.288 -13.849 1.00 2.69 N ATOM 354 CA ILE A 25 -19.553 9.849 -15.097 1.00 2.77 C ATOM 355 C ILE A 25 -18.592 11.039 -14.914 1.00 2.51 C ATOM 356 O ILE A 25 -17.919 11.435 -15.869 1.00 2.64 O ATOM 357 CB ILE A 25 -20.689 10.271 -16.057 1.00 3.02 C ATOM 358 CG1 ILE A 25 -21.621 11.339 -15.431 1.00 2.91 C ATOM 359 CG2 ILE A 25 -21.465 9.028 -16.503 1.00 3.36 C ATOM 360 CD1 ILE A 25 -22.658 11.917 -16.403 1.00 3.26 C ATOM 0 H ILE A 25 -21.079 9.588 -13.698 1.00 2.69 H new ATOM 0 HA ILE A 25 -18.955 9.038 -15.512 1.00 2.77 H new ATOM 0 HB ILE A 25 -20.243 10.743 -16.933 1.00 3.02 H new ATOM 0 HG12 ILE A 25 -22.142 10.897 -14.582 1.00 2.91 H new ATOM 0 HG13 ILE A 25 -21.011 12.154 -15.042 1.00 2.91 H new ATOM 0 HG21 ILE A 25 -22.267 9.323 -17.180 1.00 3.36 H new ATOM 0 HG22 ILE A 25 -20.790 8.343 -17.016 1.00 3.36 H new ATOM 0 HG23 ILE A 25 -21.891 8.533 -15.631 1.00 3.36 H new ATOM 0 HD11 ILE A 25 -23.269 12.656 -15.886 1.00 3.26 H new ATOM 0 HD12 ILE A 25 -22.147 12.391 -17.241 1.00 3.26 H new ATOM 0 HD13 ILE A 25 -23.296 11.115 -16.774 1.00 3.26 H new ATOM 372 N LEU A 26 -18.553 11.632 -13.715 1.00 2.24 N ATOM 373 CA LEU A 26 -17.776 12.832 -13.388 1.00 2.03 C ATOM 374 C LEU A 26 -16.740 12.498 -12.311 1.00 1.77 C ATOM 375 O LEU A 26 -17.087 12.339 -11.142 1.00 2.29 O ATOM 376 CB LEU A 26 -18.740 13.957 -12.962 1.00 2.16 C ATOM 377 CG LEU A 26 -18.070 15.236 -12.423 1.00 2.13 C ATOM 378 CD1 LEU A 26 -17.027 15.822 -13.366 1.00 2.43 C ATOM 379 CD2 LEU A 26 -19.121 16.319 -12.184 1.00 2.91 C ATOM 0 H LEU A 26 -19.081 11.276 -12.918 1.00 2.24 H new ATOM 0 HA LEU A 26 -17.225 13.185 -14.260 1.00 2.03 H new ATOM 0 HB2 LEU A 26 -19.359 14.225 -13.818 1.00 2.16 H new ATOM 0 HB3 LEU A 26 -19.409 13.567 -12.195 1.00 2.16 H new ATOM 0 HG LEU A 26 -17.573 14.937 -11.500 1.00 2.13 H new ATOM 0 HD11 LEU A 26 -16.598 16.720 -12.921 1.00 2.43 H new ATOM 0 HD12 LEU A 26 -16.238 15.089 -13.537 1.00 2.43 H new ATOM 0 HD13 LEU A 26 -17.497 16.077 -14.316 1.00 2.43 H new ATOM 0 HD21 LEU A 26 -18.637 17.218 -11.803 1.00 2.91 H new ATOM 0 HD22 LEU A 26 -19.627 16.549 -13.122 1.00 2.91 H new ATOM 0 HD23 LEU A 26 -19.850 15.964 -11.456 1.00 2.91 H new ATOM 391 N LEU A 27 -15.481 12.405 -12.735 1.00 1.57 N ATOM 392 CA LEU A 27 -14.348 12.056 -11.880 1.00 1.36 C ATOM 393 C LEU A 27 -13.711 13.321 -11.281 1.00 1.26 C ATOM 394 O LEU A 27 -13.403 14.284 -11.991 1.00 1.61 O ATOM 395 CB LEU A 27 -13.341 11.178 -12.645 1.00 1.57 C ATOM 396 CG LEU A 27 -13.737 9.694 -12.800 1.00 1.84 C ATOM 397 CD1 LEU A 27 -15.052 9.449 -13.543 1.00 2.33 C ATOM 398 CD2 LEU A 27 -12.644 8.957 -13.572 1.00 2.35 C ATOM 0 H LEU A 27 -15.214 12.574 -13.705 1.00 1.57 H new ATOM 0 HA LEU A 27 -14.704 11.460 -11.040 1.00 1.36 H new ATOM 0 HB2 LEU A 27 -13.196 11.603 -13.638 1.00 1.57 H new ATOM 0 HB3 LEU A 27 -12.380 11.228 -12.133 1.00 1.57 H new ATOM 0 HG LEU A 27 -13.866 9.329 -11.781 1.00 1.84 H new ATOM 0 HD11 LEU A 27 -15.243 8.377 -13.601 1.00 2.33 H new ATOM 0 HD12 LEU A 27 -15.868 9.935 -13.008 1.00 2.33 H new ATOM 0 HD13 LEU A 27 -14.983 9.860 -14.550 1.00 2.33 H new ATOM 0 HD21 LEU A 27 -12.921 7.909 -13.683 1.00 2.35 H new ATOM 0 HD22 LEU A 27 -12.527 9.408 -14.557 1.00 2.35 H new ATOM 0 HD23 LEU A 27 -11.703 9.028 -13.027 1.00 2.35 H new ATOM 410 N SER A 28 -13.531 13.315 -9.960 1.00 1.02 N ATOM 411 CA SER A 28 -13.028 14.436 -9.163 1.00 1.05 C ATOM 412 C SER A 28 -12.098 13.904 -8.063 1.00 1.00 C ATOM 413 O SER A 28 -12.519 13.622 -6.939 1.00 1.56 O ATOM 414 CB SER A 28 -14.241 15.208 -8.619 1.00 1.20 C ATOM 415 OG SER A 28 -13.844 16.410 -7.989 1.00 1.44 O ATOM 0 H SER A 28 -13.740 12.494 -9.391 1.00 1.02 H new ATOM 0 HA SER A 28 -12.431 15.127 -9.759 1.00 1.05 H new ATOM 0 HB2 SER A 28 -14.928 15.432 -9.435 1.00 1.20 H new ATOM 0 HB3 SER A 28 -14.783 14.584 -7.908 1.00 1.20 H new ATOM 0 HG SER A 28 -14.636 16.881 -7.654 1.00 1.44 H new ATOM 421 N GLU A 29 -10.822 13.695 -8.392 1.00 0.79 N ATOM 422 CA GLU A 29 -9.837 13.147 -7.449 1.00 0.72 C ATOM 423 C GLU A 29 -9.269 14.212 -6.486 1.00 0.68 C ATOM 424 O GLU A 29 -9.243 15.402 -6.797 1.00 0.81 O ATOM 425 CB GLU A 29 -8.710 12.384 -8.174 1.00 0.92 C ATOM 426 CG GLU A 29 -9.172 11.374 -9.242 1.00 1.08 C ATOM 427 CD GLU A 29 -9.362 11.940 -10.657 1.00 1.57 C ATOM 428 OE1 GLU A 29 -9.120 13.153 -10.892 1.00 2.29 O ATOM 429 OE2 GLU A 29 -9.690 11.143 -11.573 1.00 2.72 O ATOM 0 H GLU A 29 -10.440 13.899 -9.316 1.00 0.79 H new ATOM 0 HA GLU A 29 -10.378 12.430 -6.832 1.00 0.72 H new ATOM 0 HB2 GLU A 29 -8.050 13.110 -8.648 1.00 0.92 H new ATOM 0 HB3 GLU A 29 -8.117 11.853 -7.429 1.00 0.92 H new ATOM 0 HG2 GLU A 29 -8.443 10.565 -9.289 1.00 1.08 H new ATOM 0 HG3 GLU A 29 -10.115 10.935 -8.917 1.00 1.08 H new ATOM 436 N GLU A 30 -8.813 13.790 -5.308 1.00 0.59 N ATOM 437 CA GLU A 30 -8.245 14.632 -4.245 1.00 0.60 C ATOM 438 C GLU A 30 -6.817 14.193 -3.902 1.00 0.58 C ATOM 439 O GLU A 30 -6.597 13.015 -3.617 1.00 0.53 O ATOM 440 CB GLU A 30 -9.080 14.510 -2.954 1.00 0.66 C ATOM 441 CG GLU A 30 -10.562 14.882 -3.049 1.00 0.84 C ATOM 442 CD GLU A 30 -10.764 16.359 -3.373 1.00 1.64 C ATOM 443 OE1 GLU A 30 -10.585 17.227 -2.483 1.00 2.51 O ATOM 444 OE2 GLU A 30 -11.142 16.670 -4.525 1.00 2.70 O ATOM 0 H GLU A 30 -8.828 12.803 -5.052 1.00 0.59 H new ATOM 0 HA GLU A 30 -8.249 15.658 -4.614 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -9.011 13.481 -2.601 1.00 0.66 H new ATOM 0 HB3 GLU A 30 -8.620 15.140 -2.192 1.00 0.66 H new ATOM 0 HG2 GLU A 30 -11.039 14.274 -3.818 1.00 0.84 H new ATOM 0 HG3 GLU A 30 -11.055 14.648 -2.106 1.00 0.84 H new ATOM 451 N GLN A 31 -5.857 15.122 -3.845 1.00 0.76 N ATOM 452 CA GLN A 31 -4.530 14.859 -3.284 1.00 0.83 C ATOM 453 C GLN A 31 -4.568 15.145 -1.781 1.00 0.79 C ATOM 454 O GLN A 31 -4.853 16.275 -1.365 1.00 0.83 O ATOM 455 CB GLN A 31 -3.467 15.726 -3.968 1.00 1.02 C ATOM 456 CG GLN A 31 -3.136 15.233 -5.379 1.00 1.23 C ATOM 457 CD GLN A 31 -1.840 15.844 -5.829 1.00 1.66 C ATOM 458 OE1 GLN A 31 -1.773 16.951 -6.345 1.00 2.10 O ATOM 459 NE2 GLN A 31 -0.763 15.203 -5.463 1.00 1.89 N ATOM 0 H GLN A 31 -5.979 16.076 -4.186 1.00 0.76 H new ATOM 0 HA GLN A 31 -4.264 13.816 -3.455 1.00 0.83 H new ATOM 0 HB2 GLN A 31 -3.819 16.756 -4.019 1.00 1.02 H new ATOM 0 HB3 GLN A 31 -2.560 15.729 -3.364 1.00 1.02 H new ATOM 0 HG2 GLN A 31 -3.061 14.146 -5.388 1.00 1.23 H new ATOM 0 HG3 GLN A 31 -3.937 15.503 -6.068 1.00 1.23 H new ATOM 0 HE21 GLN A 31 -0.839 14.281 -5.034 1.00 1.89 H new ATOM 0 HE22 GLN A 31 0.155 15.625 -5.606 1.00 1.89 H new ATOM 468 N VAL A 32 -4.269 14.138 -0.962 1.00 0.78 N ATOM 469 CA VAL A 32 -4.474 14.172 0.494 1.00 0.80 C ATOM 470 C VAL A 32 -3.277 13.652 1.279 1.00 0.81 C ATOM 471 O VAL A 32 -2.475 12.865 0.777 1.00 0.78 O ATOM 472 CB VAL A 32 -5.719 13.347 0.899 1.00 0.89 C ATOM 473 CG1 VAL A 32 -7.000 13.853 0.230 1.00 0.89 C ATOM 474 CG2 VAL A 32 -5.577 11.848 0.603 1.00 0.99 C ATOM 0 H VAL A 32 -3.871 13.259 -1.292 1.00 0.78 H new ATOM 0 HA VAL A 32 -4.616 15.224 0.743 1.00 0.80 H new ATOM 0 HB VAL A 32 -5.792 13.484 1.978 1.00 0.89 H new ATOM 0 HG11 VAL A 32 -7.843 13.240 0.548 1.00 0.89 H new ATOM 0 HG12 VAL A 32 -7.176 14.889 0.518 1.00 0.89 H new ATOM 0 HG13 VAL A 32 -6.894 13.791 -0.853 1.00 0.89 H new ATOM 0 HG21 VAL A 32 -6.484 11.329 0.911 1.00 0.99 H new ATOM 0 HG22 VAL A 32 -5.420 11.701 -0.466 1.00 0.99 H new ATOM 0 HG23 VAL A 32 -4.725 11.448 1.153 1.00 0.99 H new ATOM 484 N ASP A 33 -3.212 14.042 2.549 1.00 0.90 N ATOM 485 CA ASP A 33 -2.318 13.422 3.520 1.00 0.94 C ATOM 486 C ASP A 33 -2.930 12.084 3.979 1.00 0.95 C ATOM 487 O ASP A 33 -4.149 11.968 4.137 1.00 0.96 O ATOM 488 CB ASP A 33 -2.090 14.374 4.698 1.00 1.05 C ATOM 489 CG ASP A 33 -1.015 13.846 5.640 1.00 1.82 C ATOM 490 OD1 ASP A 33 -1.330 13.024 6.529 1.00 3.18 O ATOM 491 OD2 ASP A 33 0.164 14.255 5.533 1.00 2.51 O ATOM 0 H ASP A 33 -3.779 14.798 2.933 1.00 0.90 H new ATOM 0 HA ASP A 33 -1.347 13.221 3.068 1.00 0.94 H new ATOM 0 HB2 ASP A 33 -1.798 15.355 4.324 1.00 1.05 H new ATOM 0 HB3 ASP A 33 -3.023 14.507 5.246 1.00 1.05 H new ATOM 496 N VAL A 34 -2.089 11.072 4.207 1.00 0.99 N ATOM 497 CA VAL A 34 -2.502 9.713 4.611 1.00 0.99 C ATOM 498 C VAL A 34 -3.357 9.684 5.891 1.00 1.05 C ATOM 499 O VAL A 34 -4.119 8.745 6.113 1.00 1.10 O ATOM 500 CB VAL A 34 -1.262 8.801 4.723 1.00 0.99 C ATOM 501 CG1 VAL A 34 -0.413 9.110 5.964 1.00 1.12 C ATOM 502 CG2 VAL A 34 -1.628 7.311 4.704 1.00 1.04 C ATOM 0 H VAL A 34 -1.078 11.170 4.116 1.00 0.99 H new ATOM 0 HA VAL A 34 -3.157 9.328 3.829 1.00 0.99 H new ATOM 0 HB VAL A 34 -0.664 9.020 3.838 1.00 0.99 H new ATOM 0 HG11 VAL A 34 0.446 8.440 5.993 1.00 1.12 H new ATOM 0 HG12 VAL A 34 -0.066 10.142 5.920 1.00 1.12 H new ATOM 0 HG13 VAL A 34 -1.015 8.968 6.861 1.00 1.12 H new ATOM 0 HG21 VAL A 34 -0.721 6.712 4.785 1.00 1.04 H new ATOM 0 HG22 VAL A 34 -2.287 7.087 5.543 1.00 1.04 H new ATOM 0 HG23 VAL A 34 -2.137 7.073 3.770 1.00 1.04 H new ATOM 512 N GLU A 35 -3.307 10.731 6.717 1.00 1.11 N ATOM 513 CA GLU A 35 -4.146 10.867 7.914 1.00 1.17 C ATOM 514 C GLU A 35 -5.636 11.118 7.600 1.00 1.13 C ATOM 515 O GLU A 35 -6.497 10.883 8.447 1.00 1.19 O ATOM 516 CB GLU A 35 -3.556 12.007 8.751 1.00 1.39 C ATOM 517 CG GLU A 35 -3.946 11.966 10.229 1.00 1.69 C ATOM 518 CD GLU A 35 -3.192 13.041 11.015 1.00 2.33 C ATOM 519 OE1 GLU A 35 -1.932 13.041 11.014 1.00 2.78 O ATOM 520 OE2 GLU A 35 -3.854 13.879 11.671 1.00 3.43 O ATOM 0 H GLU A 35 -2.676 11.519 6.573 1.00 1.11 H new ATOM 0 HA GLU A 35 -4.136 9.924 8.461 1.00 1.17 H new ATOM 0 HB2 GLU A 35 -2.469 11.976 8.673 1.00 1.39 H new ATOM 0 HB3 GLU A 35 -3.879 12.958 8.328 1.00 1.39 H new ATOM 0 HG2 GLU A 35 -5.020 12.119 10.332 1.00 1.69 H new ATOM 0 HG3 GLU A 35 -3.723 10.982 10.642 1.00 1.69 H new ATOM 527 N LEU A 36 -5.967 11.586 6.390 1.00 1.09 N ATOM 528 CA LEU A 36 -7.316 12.037 6.012 1.00 1.08 C ATOM 529 C LEU A 36 -8.220 10.931 5.436 1.00 1.01 C ATOM 530 O LEU A 36 -9.405 11.182 5.195 1.00 1.05 O ATOM 531 CB LEU A 36 -7.199 13.230 5.038 1.00 1.28 C ATOM 532 CG LEU A 36 -6.347 14.416 5.536 1.00 1.49 C ATOM 533 CD1 LEU A 36 -6.353 15.537 4.495 1.00 1.72 C ATOM 534 CD2 LEU A 36 -6.863 14.995 6.854 1.00 1.56 C ATOM 0 H LEU A 36 -5.292 11.664 5.629 1.00 1.09 H new ATOM 0 HA LEU A 36 -7.814 12.347 6.931 1.00 1.08 H new ATOM 0 HB2 LEU A 36 -6.776 12.870 4.100 1.00 1.28 H new ATOM 0 HB3 LEU A 36 -8.202 13.594 4.816 1.00 1.28 H new ATOM 0 HG LEU A 36 -5.340 14.030 5.695 1.00 1.49 H new ATOM 0 HD11 LEU A 36 -5.749 16.370 4.854 1.00 1.72 H new ATOM 0 HD12 LEU A 36 -5.938 15.166 3.558 1.00 1.72 H new ATOM 0 HD13 LEU A 36 -7.376 15.875 4.330 1.00 1.72 H new ATOM 0 HD21 LEU A 36 -6.228 15.826 7.160 1.00 1.56 H new ATOM 0 HD22 LEU A 36 -7.885 15.349 6.720 1.00 1.56 H new ATOM 0 HD23 LEU A 36 -6.844 14.223 7.623 1.00 1.56 H new ATOM 546 N VAL A 37 -7.700 9.719 5.221 1.00 1.03 N ATOM 547 CA VAL A 37 -8.462 8.588 4.659 1.00 1.11 C ATOM 548 C VAL A 37 -9.061 7.684 5.747 1.00 1.23 C ATOM 549 O VAL A 37 -8.462 7.468 6.808 1.00 1.69 O ATOM 550 CB VAL A 37 -7.631 7.827 3.604 1.00 1.17 C ATOM 551 CG1 VAL A 37 -6.513 6.967 4.202 1.00 1.61 C ATOM 552 CG2 VAL A 37 -8.493 6.932 2.711 1.00 1.38 C ATOM 0 H VAL A 37 -6.729 9.488 5.433 1.00 1.03 H new ATOM 0 HA VAL A 37 -9.325 8.996 4.133 1.00 1.11 H new ATOM 0 HB VAL A 37 -7.179 8.620 3.009 1.00 1.17 H new ATOM 0 HG11 VAL A 37 -5.973 6.463 3.400 1.00 1.61 H new ATOM 0 HG12 VAL A 37 -5.825 7.602 4.760 1.00 1.61 H new ATOM 0 HG13 VAL A 37 -6.945 6.223 4.872 1.00 1.61 H new ATOM 0 HG21 VAL A 37 -7.858 6.421 1.987 1.00 1.38 H new ATOM 0 HG22 VAL A 37 -9.010 6.195 3.325 1.00 1.38 H new ATOM 0 HG23 VAL A 37 -9.226 7.542 2.183 1.00 1.38 H new ATOM 562 N GLN A 38 -10.253 7.159 5.464 1.00 1.20 N ATOM 563 CA GLN A 38 -10.979 6.121 6.202 1.00 1.24 C ATOM 564 C GLN A 38 -11.256 4.914 5.285 1.00 1.19 C ATOM 565 O GLN A 38 -11.180 5.021 4.060 1.00 1.15 O ATOM 566 CB GLN A 38 -12.285 6.723 6.757 1.00 1.36 C ATOM 567 CG GLN A 38 -11.988 7.718 7.887 1.00 1.92 C ATOM 568 CD GLN A 38 -13.162 8.599 8.267 1.00 2.12 C ATOM 569 OE1 GLN A 38 -13.041 9.820 8.328 1.00 3.17 O ATOM 570 NE2 GLN A 38 -14.321 8.051 8.530 1.00 2.12 N ATOM 0 H GLN A 38 -10.779 7.472 4.648 1.00 1.20 H new ATOM 0 HA GLN A 38 -10.377 5.764 7.038 1.00 1.24 H new ATOM 0 HB2 GLN A 38 -12.828 7.226 5.957 1.00 1.36 H new ATOM 0 HB3 GLN A 38 -12.930 5.926 7.128 1.00 1.36 H new ATOM 0 HG2 GLN A 38 -11.665 7.163 8.768 1.00 1.92 H new ATOM 0 HG3 GLN A 38 -11.155 8.353 7.587 1.00 1.92 H new ATOM 0 HE21 GLN A 38 -14.429 7.038 8.481 1.00 2.12 H new ATOM 0 HE22 GLN A 38 -15.116 8.637 8.784 1.00 2.12 H new ATOM 579 N ARG A 39 -11.596 3.755 5.859 1.00 1.25 N ATOM 580 CA ARG A 39 -11.952 2.556 5.064 1.00 1.42 C ATOM 581 C ARG A 39 -13.330 2.727 4.407 1.00 1.51 C ATOM 582 O ARG A 39 -14.202 3.379 4.990 1.00 2.55 O ATOM 583 CB ARG A 39 -11.817 1.274 5.907 1.00 1.66 C ATOM 584 CG ARG A 39 -12.913 1.118 6.973 1.00 1.67 C ATOM 585 CD ARG A 39 -12.445 0.289 8.175 1.00 1.82 C ATOM 586 NE ARG A 39 -13.409 0.373 9.288 1.00 1.79 N ATOM 587 CZ ARG A 39 -14.464 -0.388 9.526 1.00 2.63 C ATOM 588 NH1 ARG A 39 -14.729 -1.472 8.856 1.00 3.77 N ATOM 589 NH2 ARG A 39 -15.296 -0.062 10.469 1.00 2.57 N ATOM 0 H ARG A 39 -11.635 3.613 6.868 1.00 1.25 H new ATOM 0 HA ARG A 39 -11.241 2.446 4.245 1.00 1.42 H new ATOM 0 HB2 ARG A 39 -11.842 0.409 5.244 1.00 1.66 H new ATOM 0 HB3 ARG A 39 -10.843 1.272 6.397 1.00 1.66 H new ATOM 0 HG2 ARG A 39 -13.226 2.104 7.315 1.00 1.67 H new ATOM 0 HG3 ARG A 39 -13.786 0.643 6.526 1.00 1.67 H new ATOM 0 HD2 ARG A 39 -12.320 -0.752 7.876 1.00 1.82 H new ATOM 0 HD3 ARG A 39 -11.470 0.644 8.508 1.00 1.82 H new ATOM 0 HE ARG A 39 -13.239 1.117 9.964 1.00 1.79 H new ATOM 0 HH11 ARG A 39 -14.108 -1.772 8.105 1.00 3.77 H new ATOM 0 HH12 ARG A 39 -15.558 -2.022 9.082 1.00 3.77 H new ATOM 0 HH21 ARG A 39 -15.135 0.779 11.023 1.00 2.57 H new ATOM 0 HH22 ARG A 39 -16.111 -0.647 10.655 1.00 2.57 H new ATOM 603 N GLY A 40 -13.557 2.166 3.216 1.00 1.76 N ATOM 604 CA GLY A 40 -14.789 2.379 2.437 1.00 1.66 C ATOM 605 C GLY A 40 -14.639 3.405 1.300 1.00 1.48 C ATOM 606 O GLY A 40 -15.606 4.090 0.961 1.00 1.31 O ATOM 0 H GLY A 40 -12.889 1.546 2.758 1.00 1.76 H new ATOM 0 HA2 GLY A 40 -15.109 1.427 2.014 1.00 1.66 H new ATOM 0 HA3 GLY A 40 -15.580 2.710 3.110 1.00 1.66 H new ATOM 610 N ASP A 41 -13.433 3.557 0.741 1.00 1.69 N ATOM 611 CA ASP A 41 -13.082 4.501 -0.336 1.00 1.50 C ATOM 612 C ASP A 41 -12.034 3.899 -1.298 1.00 1.06 C ATOM 613 O ASP A 41 -11.439 2.858 -1.000 1.00 0.99 O ATOM 614 CB ASP A 41 -12.602 5.829 0.282 1.00 1.65 C ATOM 615 CG ASP A 41 -13.781 6.670 0.780 1.00 2.22 C ATOM 616 OD1 ASP A 41 -14.653 7.019 -0.051 1.00 3.53 O ATOM 617 OD2 ASP A 41 -13.863 7.011 1.985 1.00 2.36 O ATOM 0 H ASP A 41 -12.633 2.999 1.039 1.00 1.69 H new ATOM 0 HA ASP A 41 -13.970 4.700 -0.936 1.00 1.50 H new ATOM 0 HB2 ASP A 41 -11.924 5.623 1.110 1.00 1.65 H new ATOM 0 HB3 ASP A 41 -12.037 6.394 -0.459 1.00 1.65 H new ATOM 622 N ILE A 42 -11.829 4.521 -2.468 1.00 0.86 N ATOM 623 CA ILE A 42 -10.972 4.012 -3.558 1.00 0.70 C ATOM 624 C ILE A 42 -9.869 5.015 -3.938 1.00 0.54 C ATOM 625 O ILE A 42 -10.123 6.204 -4.146 1.00 0.53 O ATOM 626 CB ILE A 42 -11.828 3.567 -4.774 1.00 0.91 C ATOM 627 CG1 ILE A 42 -12.746 2.388 -4.366 1.00 1.22 C ATOM 628 CG2 ILE A 42 -10.940 3.157 -5.967 1.00 0.91 C ATOM 629 CD1 ILE A 42 -13.654 1.832 -5.469 1.00 1.84 C ATOM 0 H ILE A 42 -12.264 5.416 -2.692 1.00 0.86 H new ATOM 0 HA ILE A 42 -10.454 3.125 -3.193 1.00 0.70 H new ATOM 0 HB ILE A 42 -12.439 4.414 -5.087 1.00 0.91 H new ATOM 0 HG12 ILE A 42 -12.119 1.577 -3.995 1.00 1.22 H new ATOM 0 HG13 ILE A 42 -13.373 2.712 -3.535 1.00 1.22 H new ATOM 0 HG21 ILE A 42 -11.571 2.851 -6.802 1.00 0.91 H new ATOM 0 HG22 ILE A 42 -10.323 4.003 -6.269 1.00 0.91 H new ATOM 0 HG23 ILE A 42 -10.298 2.327 -5.674 1.00 0.91 H new ATOM 0 HD11 ILE A 42 -14.251 1.012 -5.070 1.00 1.84 H new ATOM 0 HD12 ILE A 42 -14.315 2.621 -5.828 1.00 1.84 H new ATOM 0 HD13 ILE A 42 -13.042 1.468 -6.295 1.00 1.84 H new ATOM 641 N ILE A 43 -8.631 4.520 -4.045 1.00 0.49 N ATOM 642 CA ILE A 43 -7.388 5.289 -4.199 1.00 0.44 C ATOM 643 C ILE A 43 -6.696 4.939 -5.525 1.00 0.47 C ATOM 644 O ILE A 43 -6.469 3.759 -5.808 1.00 0.61 O ATOM 645 CB ILE A 43 -6.433 4.940 -3.023 1.00 0.48 C ATOM 646 CG1 ILE A 43 -7.112 4.876 -1.636 1.00 0.60 C ATOM 647 CG2 ILE A 43 -5.210 5.873 -2.967 1.00 0.58 C ATOM 648 CD1 ILE A 43 -7.788 6.168 -1.171 1.00 0.72 C ATOM 0 H ILE A 43 -8.458 3.515 -4.025 1.00 0.49 H new ATOM 0 HA ILE A 43 -7.627 6.353 -4.197 1.00 0.44 H new ATOM 0 HB ILE A 43 -6.101 3.927 -3.251 1.00 0.48 H new ATOM 0 HG12 ILE A 43 -7.859 4.082 -1.653 1.00 0.60 H new ATOM 0 HG13 ILE A 43 -6.362 4.593 -0.897 1.00 0.60 H new ATOM 0 HG21 ILE A 43 -4.574 5.589 -2.129 1.00 0.58 H new ATOM 0 HG22 ILE A 43 -4.646 5.789 -3.896 1.00 0.58 H new ATOM 0 HG23 ILE A 43 -5.543 6.903 -2.836 1.00 0.58 H new ATOM 0 HD11 ILE A 43 -8.232 6.013 -0.188 1.00 0.72 H new ATOM 0 HD12 ILE A 43 -7.047 6.966 -1.113 1.00 0.72 H new ATOM 0 HD13 ILE A 43 -8.567 6.447 -1.881 1.00 0.72 H new ATOM 660 N LYS A 44 -6.312 5.940 -6.327 1.00 0.52 N ATOM 661 CA LYS A 44 -5.504 5.734 -7.548 1.00 0.57 C ATOM 662 C LYS A 44 -4.003 5.671 -7.245 1.00 0.58 C ATOM 663 O LYS A 44 -3.455 6.563 -6.594 1.00 0.74 O ATOM 664 CB LYS A 44 -5.849 6.764 -8.637 1.00 0.75 C ATOM 665 CG LYS A 44 -5.190 6.343 -9.967 1.00 1.72 C ATOM 666 CD LYS A 44 -5.695 7.101 -11.196 1.00 2.09 C ATOM 667 CE LYS A 44 -7.081 6.627 -11.652 1.00 1.63 C ATOM 668 NZ LYS A 44 -7.478 7.232 -12.946 1.00 1.83 N ATOM 0 H LYS A 44 -6.549 6.917 -6.153 1.00 0.52 H new ATOM 0 HA LYS A 44 -5.770 4.756 -7.950 1.00 0.57 H new ATOM 0 HB2 LYS A 44 -6.930 6.832 -8.759 1.00 0.75 H new ATOM 0 HB3 LYS A 44 -5.499 7.753 -8.342 1.00 0.75 H new ATOM 0 HG2 LYS A 44 -4.113 6.487 -9.885 1.00 1.72 H new ATOM 0 HG3 LYS A 44 -5.359 5.277 -10.119 1.00 1.72 H new ATOM 0 HD2 LYS A 44 -5.735 8.167 -10.970 1.00 2.09 H new ATOM 0 HD3 LYS A 44 -4.985 6.975 -12.013 1.00 2.09 H new ATOM 0 HE2 LYS A 44 -7.080 5.541 -11.745 1.00 1.63 H new ATOM 0 HE3 LYS A 44 -7.819 6.881 -10.891 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 -8.420 6.885 -13.217 1.00 1.83 H new ATOM 0 HZ2 LYS A 44 -7.504 8.267 -12.852 1.00 1.83 H new ATOM 0 HZ3 LYS A 44 -6.788 6.969 -13.678 1.00 1.83 H new ATOM 682 N VAL A 45 -3.325 4.644 -7.765 1.00 0.49 N ATOM 683 CA VAL A 45 -1.857 4.520 -7.771 1.00 0.49 C ATOM 684 C VAL A 45 -1.319 4.668 -9.197 1.00 0.52 C ATOM 685 O VAL A 45 -1.881 4.107 -10.137 1.00 0.57 O ATOM 686 CB VAL A 45 -1.417 3.196 -7.104 1.00 0.47 C ATOM 687 CG1 VAL A 45 -1.523 1.973 -8.021 1.00 0.61 C ATOM 688 CG2 VAL A 45 0.032 3.263 -6.608 1.00 0.49 C ATOM 0 H VAL A 45 -3.791 3.852 -8.207 1.00 0.49 H new ATOM 0 HA VAL A 45 -1.426 5.327 -7.178 1.00 0.49 H new ATOM 0 HB VAL A 45 -2.113 3.076 -6.273 1.00 0.47 H new ATOM 0 HG11 VAL A 45 -1.197 1.084 -7.481 1.00 0.61 H new ATOM 0 HG12 VAL A 45 -2.558 1.845 -8.339 1.00 0.61 H new ATOM 0 HG13 VAL A 45 -0.890 2.119 -8.896 1.00 0.61 H new ATOM 0 HG21 VAL A 45 0.303 2.314 -6.146 1.00 0.49 H new ATOM 0 HG22 VAL A 45 0.696 3.459 -7.450 1.00 0.49 H new ATOM 0 HG23 VAL A 45 0.129 4.064 -5.875 1.00 0.49 H new ATOM 698 N VAL A 46 -0.231 5.417 -9.366 1.00 0.55 N ATOM 699 CA VAL A 46 0.461 5.632 -10.653 1.00 0.58 C ATOM 700 C VAL A 46 1.540 4.565 -10.925 1.00 0.53 C ATOM 701 O VAL A 46 1.979 3.889 -9.984 1.00 0.53 O ATOM 702 CB VAL A 46 1.072 7.055 -10.692 1.00 0.71 C ATOM 703 CG1 VAL A 46 -0.030 8.121 -10.652 1.00 0.87 C ATOM 704 CG2 VAL A 46 2.066 7.329 -9.555 1.00 0.75 C ATOM 0 H VAL A 46 0.214 5.910 -8.592 1.00 0.55 H new ATOM 0 HA VAL A 46 -0.280 5.536 -11.446 1.00 0.58 H new ATOM 0 HB VAL A 46 1.623 7.108 -11.631 1.00 0.71 H new ATOM 0 HG11 VAL A 46 0.422 9.113 -10.680 1.00 0.87 H new ATOM 0 HG12 VAL A 46 -0.687 7.997 -11.512 1.00 0.87 H new ATOM 0 HG13 VAL A 46 -0.609 8.012 -9.735 1.00 0.87 H new ATOM 0 HG21 VAL A 46 2.453 8.344 -9.647 1.00 0.75 H new ATOM 0 HG22 VAL A 46 1.561 7.219 -8.596 1.00 0.75 H new ATOM 0 HG23 VAL A 46 2.891 6.619 -9.614 1.00 0.75 H new ATOM 714 N PRO A 47 2.014 4.376 -12.175 1.00 0.60 N ATOM 715 CA PRO A 47 3.224 3.591 -12.428 1.00 0.66 C ATOM 716 C PRO A 47 4.386 4.214 -11.641 1.00 0.66 C ATOM 717 O PRO A 47 4.532 5.435 -11.613 1.00 0.76 O ATOM 718 CB PRO A 47 3.471 3.663 -13.940 1.00 0.81 C ATOM 719 CG PRO A 47 2.746 4.939 -14.366 1.00 1.08 C ATOM 720 CD PRO A 47 1.547 4.968 -13.422 1.00 0.71 C ATOM 0 HA PRO A 47 3.128 2.552 -12.112 1.00 0.66 H new ATOM 0 HB2 PRO A 47 4.535 3.712 -14.170 1.00 0.81 H new ATOM 0 HB3 PRO A 47 3.074 2.787 -14.453 1.00 0.81 H new ATOM 0 HG2 PRO A 47 3.375 5.821 -14.250 1.00 1.08 H new ATOM 0 HG3 PRO A 47 2.439 4.902 -15.411 1.00 1.08 H new ATOM 0 HD2 PRO A 47 1.197 5.988 -13.264 1.00 0.71 H new ATOM 0 HD3 PRO A 47 0.710 4.404 -13.834 1.00 0.71 H new ATOM 728 N GLY A 48 5.183 3.397 -10.954 1.00 0.64 N ATOM 729 CA GLY A 48 6.243 3.876 -10.061 1.00 0.69 C ATOM 730 C GLY A 48 5.776 4.365 -8.679 1.00 0.71 C ATOM 731 O GLY A 48 6.624 4.600 -7.817 1.00 0.93 O ATOM 0 H GLY A 48 5.113 2.380 -11.000 1.00 0.64 H new ATOM 0 HA2 GLY A 48 6.964 3.071 -9.917 1.00 0.69 H new ATOM 0 HA3 GLY A 48 6.770 4.691 -10.556 1.00 0.69 H new ATOM 735 N GLY A 49 4.468 4.503 -8.433 1.00 0.63 N ATOM 736 CA GLY A 49 3.907 4.935 -7.145 1.00 0.68 C ATOM 737 C GLY A 49 4.009 3.884 -6.028 1.00 0.70 C ATOM 738 O GLY A 49 4.468 2.764 -6.246 1.00 0.95 O ATOM 0 H GLY A 49 3.755 4.314 -9.137 1.00 0.63 H new ATOM 0 HA2 GLY A 49 4.421 5.841 -6.824 1.00 0.68 H new ATOM 0 HA3 GLY A 49 2.858 5.196 -7.288 1.00 0.68 H new ATOM 742 N LYS A 50 3.554 4.236 -4.824 1.00 0.77 N ATOM 743 CA LYS A 50 3.573 3.390 -3.616 1.00 0.79 C ATOM 744 C LYS A 50 2.155 3.132 -3.097 1.00 0.85 C ATOM 745 O LYS A 50 1.271 3.976 -3.257 1.00 1.19 O ATOM 746 CB LYS A 50 4.441 4.051 -2.527 1.00 1.00 C ATOM 747 CG LYS A 50 5.890 4.305 -2.979 1.00 1.10 C ATOM 748 CD LYS A 50 6.717 4.953 -1.861 1.00 1.40 C ATOM 749 CE LYS A 50 8.124 5.290 -2.367 1.00 1.58 C ATOM 750 NZ LYS A 50 8.941 5.937 -1.313 1.00 2.09 N ATOM 0 H LYS A 50 3.145 5.154 -4.651 1.00 0.77 H new ATOM 0 HA LYS A 50 4.007 2.425 -3.878 1.00 0.79 H new ATOM 0 HB2 LYS A 50 3.987 4.998 -2.235 1.00 1.00 H new ATOM 0 HB3 LYS A 50 4.449 3.415 -1.642 1.00 1.00 H new ATOM 0 HG2 LYS A 50 6.351 3.363 -3.276 1.00 1.10 H new ATOM 0 HG3 LYS A 50 5.891 4.951 -3.857 1.00 1.10 H new ATOM 0 HD2 LYS A 50 6.222 5.859 -1.512 1.00 1.40 H new ATOM 0 HD3 LYS A 50 6.782 4.277 -1.009 1.00 1.40 H new ATOM 0 HE2 LYS A 50 8.618 4.379 -2.704 1.00 1.58 H new ATOM 0 HE3 LYS A 50 8.052 5.951 -3.230 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 9.887 6.151 -1.689 1.00 2.09 H new ATOM 0 HZ2 LYS A 50 8.481 6.819 -1.010 1.00 2.09 H new ATOM 0 HZ3 LYS A 50 9.030 5.295 -0.499 1.00 2.09 H new ATOM 764 N PHE A 51 1.940 1.995 -2.438 1.00 0.72 N ATOM 765 CA PHE A 51 0.669 1.676 -1.769 1.00 0.75 C ATOM 766 C PHE A 51 0.703 2.175 -0.304 1.00 0.78 C ATOM 767 O PHE A 51 1.533 1.688 0.463 1.00 0.90 O ATOM 768 CB PHE A 51 0.387 0.165 -1.871 1.00 0.75 C ATOM 769 CG PHE A 51 0.243 -0.348 -3.299 1.00 0.65 C ATOM 770 CD1 PHE A 51 1.380 -0.773 -4.009 1.00 1.42 C ATOM 771 CD2 PHE A 51 -1.015 -0.398 -3.931 1.00 1.83 C ATOM 772 CE1 PHE A 51 1.281 -1.203 -5.340 1.00 1.49 C ATOM 773 CE2 PHE A 51 -1.120 -0.864 -5.257 1.00 1.78 C ATOM 774 CZ PHE A 51 0.029 -1.251 -5.968 1.00 0.65 C ATOM 0 H PHE A 51 2.643 1.262 -2.350 1.00 0.72 H new ATOM 0 HA PHE A 51 -0.152 2.192 -2.266 1.00 0.75 H new ATOM 0 HB2 PHE A 51 1.195 -0.378 -1.381 1.00 0.75 H new ATOM 0 HB3 PHE A 51 -0.527 -0.061 -1.322 1.00 0.75 H new ATOM 0 HD1 PHE A 51 2.344 -0.768 -3.522 1.00 1.42 H new ATOM 0 HD2 PHE A 51 -1.899 -0.079 -3.399 1.00 1.83 H new ATOM 0 HE1 PHE A 51 2.169 -1.497 -5.881 1.00 1.49 H new ATOM 0 HE2 PHE A 51 -2.089 -0.924 -5.730 1.00 1.78 H new ATOM 0 HZ PHE A 51 -0.052 -1.583 -6.992 1.00 0.65 H new ATOM 784 N PRO A 52 -0.150 3.132 0.125 1.00 0.69 N ATOM 785 CA PRO A 52 -0.041 3.767 1.451 1.00 0.66 C ATOM 786 C PRO A 52 -0.811 3.049 2.581 1.00 0.68 C ATOM 787 O PRO A 52 -0.618 3.372 3.756 1.00 0.74 O ATOM 788 CB PRO A 52 -0.566 5.190 1.230 1.00 0.63 C ATOM 789 CG PRO A 52 -1.652 4.996 0.173 1.00 0.65 C ATOM 790 CD PRO A 52 -1.090 3.877 -0.705 1.00 0.67 C ATOM 0 HA PRO A 52 0.990 3.730 1.803 1.00 0.66 H new ATOM 0 HB2 PRO A 52 -0.968 5.619 2.148 1.00 0.63 H new ATOM 0 HB3 PRO A 52 0.220 5.861 0.883 1.00 0.63 H new ATOM 0 HG2 PRO A 52 -2.605 4.716 0.622 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -1.825 5.908 -0.399 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -1.888 3.228 -1.065 1.00 0.67 H new ATOM 0 HD3 PRO A 52 -0.592 4.286 -1.584 1.00 0.67 H new ATOM 798 N VAL A 53 -1.670 2.086 2.232 1.00 0.66 N ATOM 799 CA VAL A 53 -2.520 1.249 3.105 1.00 0.71 C ATOM 800 C VAL A 53 -2.685 -0.139 2.456 1.00 0.68 C ATOM 801 O VAL A 53 -2.226 -0.335 1.328 1.00 0.63 O ATOM 802 CB VAL A 53 -3.900 1.887 3.389 1.00 0.80 C ATOM 803 CG1 VAL A 53 -3.795 3.093 4.328 1.00 0.89 C ATOM 804 CG2 VAL A 53 -4.622 2.319 2.112 1.00 0.85 C ATOM 0 H VAL A 53 -1.805 1.847 1.250 1.00 0.66 H new ATOM 0 HA VAL A 53 -2.025 1.158 4.072 1.00 0.71 H new ATOM 0 HB VAL A 53 -4.483 1.103 3.873 1.00 0.80 H new ATOM 0 HG11 VAL A 53 -4.788 3.509 4.499 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -3.365 2.778 5.279 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -3.157 3.852 3.875 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -5.585 2.760 2.370 1.00 0.85 H new ATOM 0 HG22 VAL A 53 -4.016 3.054 1.583 1.00 0.85 H new ATOM 0 HG23 VAL A 53 -4.780 1.451 1.472 1.00 0.85 H new ATOM 814 N ASP A 54 -3.298 -1.111 3.142 1.00 0.81 N ATOM 815 CA ASP A 54 -3.541 -2.461 2.601 1.00 0.77 C ATOM 816 C ASP A 54 -5.003 -2.660 2.141 1.00 0.80 C ATOM 817 O ASP A 54 -5.936 -2.184 2.789 1.00 0.92 O ATOM 818 CB ASP A 54 -2.994 -3.539 3.562 1.00 0.81 C ATOM 819 CG ASP A 54 -3.999 -4.173 4.518 1.00 1.08 C ATOM 820 OD1 ASP A 54 -4.839 -4.954 4.014 1.00 2.66 O ATOM 821 OD2 ASP A 54 -3.866 -4.028 5.758 1.00 1.42 O ATOM 0 H ASP A 54 -3.643 -0.986 4.094 1.00 0.81 H new ATOM 0 HA ASP A 54 -2.972 -2.579 1.679 1.00 0.77 H new ATOM 0 HB2 ASP A 54 -2.545 -4.332 2.964 1.00 0.81 H new ATOM 0 HB3 ASP A 54 -2.194 -3.094 4.154 1.00 0.81 H new ATOM 826 N GLY A 55 -5.215 -3.334 1.005 1.00 0.75 N ATOM 827 CA GLY A 55 -6.547 -3.446 0.394 1.00 0.79 C ATOM 828 C GLY A 55 -6.603 -4.251 -0.910 1.00 0.74 C ATOM 829 O GLY A 55 -5.724 -5.069 -1.191 1.00 0.75 O ATOM 0 H GLY A 55 -4.478 -3.813 0.487 1.00 0.75 H new ATOM 0 HA2 GLY A 55 -7.222 -3.906 1.115 1.00 0.79 H new ATOM 0 HA3 GLY A 55 -6.925 -2.442 0.199 1.00 0.79 H new ATOM 833 N ARG A 56 -7.655 -4.012 -1.707 1.00 0.77 N ATOM 834 CA ARG A 56 -8.002 -4.806 -2.905 1.00 0.78 C ATOM 835 C ARG A 56 -7.969 -3.976 -4.193 1.00 0.74 C ATOM 836 O ARG A 56 -8.565 -2.907 -4.253 1.00 0.84 O ATOM 837 CB ARG A 56 -9.358 -5.512 -2.675 1.00 0.92 C ATOM 838 CG ARG A 56 -9.336 -6.967 -3.179 1.00 0.69 C ATOM 839 CD ARG A 56 -10.574 -7.791 -2.791 1.00 0.80 C ATOM 840 NE ARG A 56 -10.797 -7.834 -1.333 1.00 1.88 N ATOM 841 CZ ARG A 56 -11.551 -8.679 -0.654 1.00 2.92 C ATOM 842 NH1 ARG A 56 -12.299 -9.597 -1.199 1.00 3.28 N ATOM 843 NH2 ARG A 56 -11.562 -8.580 0.638 1.00 4.34 N ATOM 0 H ARG A 56 -8.306 -3.245 -1.537 1.00 0.77 H new ATOM 0 HA ARG A 56 -7.239 -5.570 -3.051 1.00 0.78 H new ATOM 0 HB2 ARG A 56 -9.599 -5.499 -1.612 1.00 0.92 H new ATOM 0 HB3 ARG A 56 -10.147 -4.961 -3.188 1.00 0.92 H new ATOM 0 HG2 ARG A 56 -9.244 -6.961 -4.265 1.00 0.69 H new ATOM 0 HG3 ARG A 56 -8.448 -7.462 -2.786 1.00 0.69 H new ATOM 0 HD2 ARG A 56 -11.453 -7.368 -3.276 1.00 0.80 H new ATOM 0 HD3 ARG A 56 -10.461 -8.808 -3.167 1.00 0.80 H new ATOM 0 HE ARG A 56 -10.310 -7.126 -0.784 1.00 1.88 H new ATOM 0 HH11 ARG A 56 -12.327 -9.696 -2.214 1.00 3.28 H new ATOM 0 HH12 ARG A 56 -12.857 -10.216 -0.611 1.00 3.28 H new ATOM 0 HH21 ARG A 56 -10.999 -7.865 1.100 1.00 4.34 H new ATOM 0 HH22 ARG A 56 -12.133 -9.217 1.193 1.00 4.34 H new ATOM 857 N VAL A 57 -7.268 -4.456 -5.220 1.00 0.68 N ATOM 858 CA VAL A 57 -7.106 -3.807 -6.535 1.00 0.67 C ATOM 859 C VAL A 57 -8.245 -4.248 -7.448 1.00 0.79 C ATOM 860 O VAL A 57 -8.458 -5.448 -7.599 1.00 0.89 O ATOM 861 CB VAL A 57 -5.761 -4.183 -7.196 1.00 0.69 C ATOM 862 CG1 VAL A 57 -5.500 -3.331 -8.445 1.00 0.86 C ATOM 863 CG2 VAL A 57 -4.568 -4.021 -6.247 1.00 0.63 C ATOM 0 H VAL A 57 -6.773 -5.346 -5.163 1.00 0.68 H new ATOM 0 HA VAL A 57 -7.121 -2.727 -6.385 1.00 0.67 H new ATOM 0 HB VAL A 57 -5.852 -5.235 -7.467 1.00 0.69 H new ATOM 0 HG11 VAL A 57 -4.547 -3.618 -8.889 1.00 0.86 H new ATOM 0 HG12 VAL A 57 -6.300 -3.491 -9.168 1.00 0.86 H new ATOM 0 HG13 VAL A 57 -5.468 -2.278 -8.167 1.00 0.86 H new ATOM 0 HG21 VAL A 57 -3.650 -4.299 -6.765 1.00 0.63 H new ATOM 0 HG22 VAL A 57 -4.500 -2.983 -5.921 1.00 0.63 H new ATOM 0 HG23 VAL A 57 -4.704 -4.665 -5.378 1.00 0.63 H new ATOM 873 N ILE A 58 -8.976 -3.316 -8.063 1.00 0.79 N ATOM 874 CA ILE A 58 -10.169 -3.631 -8.882 1.00 0.86 C ATOM 875 C ILE A 58 -10.295 -2.754 -10.146 1.00 0.87 C ATOM 876 O ILE A 58 -11.392 -2.535 -10.670 1.00 0.92 O ATOM 877 CB ILE A 58 -11.443 -3.575 -7.990 1.00 0.87 C ATOM 878 CG1 ILE A 58 -11.391 -2.365 -7.032 1.00 0.77 C ATOM 879 CG2 ILE A 58 -11.622 -4.887 -7.205 1.00 0.96 C ATOM 880 CD1 ILE A 58 -12.745 -2.016 -6.412 1.00 0.84 C ATOM 0 H ILE A 58 -8.765 -2.319 -8.013 1.00 0.79 H new ATOM 0 HA ILE A 58 -10.051 -4.645 -9.264 1.00 0.86 H new ATOM 0 HB ILE A 58 -12.307 -3.452 -8.644 1.00 0.87 H new ATOM 0 HG12 ILE A 58 -10.679 -2.574 -6.234 1.00 0.77 H new ATOM 0 HG13 ILE A 58 -11.015 -1.498 -7.575 1.00 0.77 H new ATOM 0 HG21 ILE A 58 -12.519 -4.823 -6.589 1.00 0.96 H new ATOM 0 HG22 ILE A 58 -11.720 -5.718 -7.903 1.00 0.96 H new ATOM 0 HG23 ILE A 58 -10.754 -5.050 -6.566 1.00 0.96 H new ATOM 0 HD11 ILE A 58 -12.632 -1.157 -5.751 1.00 0.84 H new ATOM 0 HD12 ILE A 58 -13.456 -1.775 -7.202 1.00 0.84 H new ATOM 0 HD13 ILE A 58 -13.114 -2.868 -5.840 1.00 0.84 H new ATOM 892 N GLU A 59 -9.150 -2.337 -10.693 1.00 0.86 N ATOM 893 CA GLU A 59 -8.982 -1.737 -12.023 1.00 0.93 C ATOM 894 C GLU A 59 -7.479 -1.661 -12.352 1.00 0.95 C ATOM 895 O GLU A 59 -6.715 -1.172 -11.516 1.00 0.98 O ATOM 896 CB GLU A 59 -9.636 -0.337 -12.106 1.00 0.92 C ATOM 897 CG GLU A 59 -10.357 -0.135 -13.449 1.00 1.09 C ATOM 898 CD GLU A 59 -11.232 1.125 -13.462 1.00 2.02 C ATOM 899 OE1 GLU A 59 -12.290 1.155 -12.784 1.00 3.01 O ATOM 900 OE2 GLU A 59 -10.887 2.111 -14.159 1.00 3.17 O ATOM 0 H GLU A 59 -8.264 -2.413 -10.193 1.00 0.86 H new ATOM 0 HA GLU A 59 -9.487 -2.365 -12.757 1.00 0.93 H new ATOM 0 HB2 GLU A 59 -10.346 -0.216 -11.288 1.00 0.92 H new ATOM 0 HB3 GLU A 59 -8.873 0.431 -11.982 1.00 0.92 H new ATOM 0 HG2 GLU A 59 -9.618 -0.069 -14.248 1.00 1.09 H new ATOM 0 HG3 GLU A 59 -10.977 -1.006 -13.660 1.00 1.09 H new ATOM 907 N GLY A 60 -7.055 -2.094 -13.544 1.00 0.97 N ATOM 908 CA GLY A 60 -5.665 -2.002 -14.017 1.00 0.99 C ATOM 909 C GLY A 60 -4.749 -3.187 -13.662 1.00 0.99 C ATOM 910 O GLY A 60 -5.129 -4.091 -12.919 1.00 1.10 O ATOM 0 H GLY A 60 -7.680 -2.528 -14.223 1.00 0.97 H new ATOM 0 HA2 GLY A 60 -5.678 -1.891 -15.101 1.00 0.99 H new ATOM 0 HA3 GLY A 60 -5.223 -1.093 -13.609 1.00 0.99 H new ATOM 914 N HIS A 61 -3.523 -3.170 -14.209 1.00 0.92 N ATOM 915 CA HIS A 61 -2.533 -4.264 -14.111 1.00 0.91 C ATOM 916 C HIS A 61 -1.078 -3.774 -13.906 1.00 0.92 C ATOM 917 O HIS A 61 -0.594 -2.887 -14.615 1.00 1.28 O ATOM 918 CB HIS A 61 -2.656 -5.188 -15.337 1.00 1.03 C ATOM 919 CG HIS A 61 -2.314 -4.548 -16.667 1.00 1.40 C ATOM 920 ND1 HIS A 61 -1.216 -4.826 -17.450 1.00 3.03 N ATOM 921 CD2 HIS A 61 -3.039 -3.597 -17.334 1.00 1.82 C ATOM 922 CE1 HIS A 61 -1.269 -4.061 -18.550 1.00 2.91 C ATOM 923 NE2 HIS A 61 -2.353 -3.266 -18.513 1.00 1.96 N ATOM 0 H HIS A 61 -3.180 -2.375 -14.747 1.00 0.92 H new ATOM 0 HA HIS A 61 -2.768 -4.828 -13.208 1.00 0.91 H new ATOM 0 HB2 HIS A 61 -2.005 -6.049 -15.189 1.00 1.03 H new ATOM 0 HB3 HIS A 61 -3.677 -5.565 -15.386 1.00 1.03 H new ATOM 0 HD2 HIS A 61 -3.978 -3.174 -17.009 1.00 1.82 H new ATOM 0 HE1 HIS A 61 -0.545 -4.081 -19.351 1.00 2.91 H new ATOM 0 HE2 HIS A 61 -2.622 -2.564 -19.202 1.00 1.96 H new ATOM 931 N SER A 62 -0.383 -4.284 -12.880 1.00 0.77 N ATOM 932 CA SER A 62 1.049 -4.008 -12.625 1.00 0.78 C ATOM 933 C SER A 62 1.813 -5.121 -11.900 1.00 0.74 C ATOM 934 O SER A 62 1.208 -6.056 -11.380 1.00 0.75 O ATOM 935 CB SER A 62 1.182 -2.691 -11.857 1.00 0.88 C ATOM 936 OG SER A 62 1.138 -1.623 -12.782 1.00 1.22 O ATOM 0 H SER A 62 -0.800 -4.909 -12.191 1.00 0.77 H new ATOM 0 HA SER A 62 1.516 -3.944 -13.608 1.00 0.78 H new ATOM 0 HB2 SER A 62 0.376 -2.595 -11.129 1.00 0.88 H new ATOM 0 HB3 SER A 62 2.119 -2.671 -11.300 1.00 0.88 H new ATOM 0 HG SER A 62 0.549 -1.861 -13.528 1.00 1.22 H new ATOM 942 N MET A 63 3.139 -4.982 -11.794 1.00 0.79 N ATOM 943 CA MET A 63 3.998 -5.806 -10.935 1.00 0.81 C ATOM 944 C MET A 63 4.464 -5.001 -9.707 1.00 0.77 C ATOM 945 O MET A 63 4.888 -3.847 -9.823 1.00 0.86 O ATOM 946 CB MET A 63 5.146 -6.394 -11.763 1.00 1.03 C ATOM 947 CG MET A 63 6.001 -7.345 -10.921 1.00 1.15 C ATOM 948 SD MET A 63 7.034 -8.495 -11.866 1.00 1.46 S ATOM 949 CE MET A 63 5.773 -9.673 -12.424 1.00 1.22 C ATOM 0 H MET A 63 3.658 -4.276 -12.316 1.00 0.79 H new ATOM 0 HA MET A 63 3.435 -6.651 -10.539 1.00 0.81 H new ATOM 0 HB2 MET A 63 4.742 -6.928 -12.623 1.00 1.03 H new ATOM 0 HB3 MET A 63 5.768 -5.588 -12.152 1.00 1.03 H new ATOM 0 HG2 MET A 63 6.646 -6.751 -10.273 1.00 1.15 H new ATOM 0 HG3 MET A 63 5.342 -7.922 -10.272 1.00 1.15 H new ATOM 0 HE1 MET A 63 6.256 -10.517 -12.917 1.00 1.22 H new ATOM 0 HE2 MET A 63 5.204 -10.031 -11.566 1.00 1.22 H new ATOM 0 HE3 MET A 63 5.100 -9.180 -13.125 1.00 1.22 H new ATOM 959 N VAL A 64 4.378 -5.604 -8.517 1.00 0.73 N ATOM 960 CA VAL A 64 4.529 -4.918 -7.221 1.00 0.71 C ATOM 961 C VAL A 64 5.639 -5.502 -6.339 1.00 0.93 C ATOM 962 O VAL A 64 5.731 -6.712 -6.149 1.00 1.16 O ATOM 963 CB VAL A 64 3.167 -4.870 -6.502 1.00 0.63 C ATOM 964 CG1 VAL A 64 3.256 -4.258 -5.102 1.00 0.72 C ATOM 965 CG2 VAL A 64 2.173 -4.031 -7.320 1.00 0.55 C ATOM 0 H VAL A 64 4.198 -6.603 -8.421 1.00 0.73 H new ATOM 0 HA VAL A 64 4.857 -3.899 -7.424 1.00 0.71 H new ATOM 0 HB VAL A 64 2.834 -5.903 -6.407 1.00 0.63 H new ATOM 0 HG11 VAL A 64 2.267 -4.251 -4.645 1.00 0.72 H new ATOM 0 HG12 VAL A 64 3.935 -4.850 -4.489 1.00 0.72 H new ATOM 0 HG13 VAL A 64 3.630 -3.237 -5.174 1.00 0.72 H new ATOM 0 HG21 VAL A 64 1.212 -4.001 -6.806 1.00 0.55 H new ATOM 0 HG22 VAL A 64 2.557 -3.017 -7.430 1.00 0.55 H new ATOM 0 HG23 VAL A 64 2.043 -4.479 -8.305 1.00 0.55 H new ATOM 975 N ASP A 65 6.478 -4.625 -5.783 1.00 0.90 N ATOM 976 CA ASP A 65 7.687 -4.947 -5.012 1.00 0.99 C ATOM 977 C ASP A 65 7.379 -5.063 -3.506 1.00 0.96 C ATOM 978 O ASP A 65 7.266 -4.049 -2.804 1.00 1.05 O ATOM 979 CB ASP A 65 8.729 -3.857 -5.333 1.00 1.16 C ATOM 980 CG ASP A 65 10.110 -4.037 -4.692 1.00 1.34 C ATOM 981 OD1 ASP A 65 10.454 -5.131 -4.185 1.00 1.72 O ATOM 982 OD2 ASP A 65 10.914 -3.080 -4.762 1.00 2.28 O ATOM 0 H ASP A 65 6.327 -3.619 -5.861 1.00 0.90 H new ATOM 0 HA ASP A 65 8.084 -5.923 -5.292 1.00 0.99 H new ATOM 0 HB2 ASP A 65 8.856 -3.811 -6.415 1.00 1.16 H new ATOM 0 HB3 ASP A 65 8.327 -2.894 -5.018 1.00 1.16 H new ATOM 987 N GLU A 66 7.213 -6.304 -3.031 1.00 0.90 N ATOM 988 CA GLU A 66 6.756 -6.663 -1.673 1.00 0.90 C ATOM 989 C GLU A 66 7.643 -7.684 -0.917 1.00 1.03 C ATOM 990 O GLU A 66 7.267 -8.139 0.166 1.00 1.18 O ATOM 991 CB GLU A 66 5.276 -7.095 -1.708 1.00 1.15 C ATOM 992 CG GLU A 66 4.960 -8.335 -2.564 1.00 0.87 C ATOM 993 CD GLU A 66 3.486 -8.756 -2.423 1.00 0.87 C ATOM 994 OE1 GLU A 66 2.589 -8.024 -2.907 1.00 1.77 O ATOM 995 OE2 GLU A 66 3.201 -9.818 -1.815 1.00 1.63 O ATOM 0 H GLU A 66 7.401 -7.126 -3.605 1.00 0.90 H new ATOM 0 HA GLU A 66 6.858 -5.754 -1.080 1.00 0.90 H new ATOM 0 HB2 GLU A 66 4.950 -7.289 -0.686 1.00 1.15 H new ATOM 0 HB3 GLU A 66 4.682 -6.260 -2.079 1.00 1.15 H new ATOM 0 HG2 GLU A 66 5.180 -8.122 -3.610 1.00 0.87 H new ATOM 0 HG3 GLU A 66 5.606 -9.160 -2.264 1.00 0.87 H new ATOM 1002 N SER A 67 8.824 -8.029 -1.450 1.00 1.20 N ATOM 1003 CA SER A 67 9.754 -9.029 -0.871 1.00 1.59 C ATOM 1004 C SER A 67 10.274 -8.734 0.552 1.00 1.49 C ATOM 1005 O SER A 67 10.929 -9.596 1.136 1.00 1.54 O ATOM 1006 CB SER A 67 10.902 -9.396 -1.832 1.00 2.10 C ATOM 1007 OG SER A 67 11.623 -8.267 -2.305 1.00 2.03 O ATOM 0 H SER A 67 9.174 -7.616 -2.315 1.00 1.20 H new ATOM 0 HA SER A 67 9.119 -9.905 -0.743 1.00 1.59 H new ATOM 0 HB2 SER A 67 11.590 -10.071 -1.323 1.00 2.10 H new ATOM 0 HB3 SER A 67 10.493 -9.940 -2.684 1.00 2.10 H new ATOM 0 HG SER A 67 12.337 -8.564 -2.907 1.00 2.03 H new ATOM 1013 N LEU A 68 9.961 -7.581 1.157 1.00 1.45 N ATOM 1014 CA LEU A 68 10.193 -7.286 2.583 1.00 1.52 C ATOM 1015 C LEU A 68 8.938 -7.587 3.434 1.00 1.50 C ATOM 1016 O LEU A 68 9.043 -8.075 4.560 1.00 1.63 O ATOM 1017 CB LEU A 68 10.649 -5.812 2.683 1.00 1.50 C ATOM 1018 CG LEU A 68 11.451 -5.352 3.916 1.00 1.45 C ATOM 1019 CD1 LEU A 68 10.664 -5.365 5.226 1.00 1.61 C ATOM 1020 CD2 LEU A 68 12.743 -6.143 4.118 1.00 1.36 C ATOM 0 H LEU A 68 9.528 -6.804 0.657 1.00 1.45 H new ATOM 0 HA LEU A 68 10.972 -7.931 2.989 1.00 1.52 H new ATOM 0 HB2 LEU A 68 11.251 -5.595 1.801 1.00 1.50 H new ATOM 0 HB3 LEU A 68 9.757 -5.188 2.621 1.00 1.50 H new ATOM 0 HG LEU A 68 11.690 -4.315 3.678 1.00 1.45 H new ATOM 0 HD11 LEU A 68 11.306 -5.027 6.039 1.00 1.61 H new ATOM 0 HD12 LEU A 68 9.805 -4.699 5.141 1.00 1.61 H new ATOM 0 HD13 LEU A 68 10.319 -6.378 5.433 1.00 1.61 H new ATOM 0 HD21 LEU A 68 13.262 -5.772 5.002 1.00 1.36 H new ATOM 0 HD22 LEU A 68 12.506 -7.198 4.253 1.00 1.36 H new ATOM 0 HD23 LEU A 68 13.383 -6.024 3.244 1.00 1.36 H new ATOM 1032 N ILE A 69 7.734 -7.347 2.897 1.00 1.40 N ATOM 1033 CA ILE A 69 6.454 -7.448 3.622 1.00 1.39 C ATOM 1034 C ILE A 69 5.984 -8.906 3.740 1.00 1.56 C ATOM 1035 O ILE A 69 5.883 -9.444 4.846 1.00 1.61 O ATOM 1036 CB ILE A 69 5.362 -6.573 2.955 1.00 1.22 C ATOM 1037 CG1 ILE A 69 5.769 -5.100 2.709 1.00 1.16 C ATOM 1038 CG2 ILE A 69 4.068 -6.645 3.788 1.00 1.29 C ATOM 1039 CD1 ILE A 69 5.981 -4.258 3.970 1.00 1.23 C ATOM 0 H ILE A 69 7.617 -7.070 1.922 1.00 1.40 H new ATOM 0 HA ILE A 69 6.624 -7.071 4.631 1.00 1.39 H new ATOM 0 HB ILE A 69 5.206 -6.990 1.960 1.00 1.22 H new ATOM 0 HG12 ILE A 69 6.690 -5.088 2.125 1.00 1.16 H new ATOM 0 HG13 ILE A 69 4.999 -4.625 2.100 1.00 1.16 H new ATOM 0 HG21 ILE A 69 3.299 -6.030 3.320 1.00 1.29 H new ATOM 0 HG22 ILE A 69 3.725 -7.678 3.839 1.00 1.29 H new ATOM 0 HG23 ILE A 69 4.263 -6.278 4.796 1.00 1.29 H new ATOM 0 HD11 ILE A 69 6.263 -3.244 3.687 1.00 1.23 H new ATOM 0 HD12 ILE A 69 5.057 -4.230 4.548 1.00 1.23 H new ATOM 0 HD13 ILE A 69 6.774 -4.700 4.574 1.00 1.23 H new ATOM 1051 N THR A 70 5.711 -9.559 2.608 1.00 1.70 N ATOM 1052 CA THR A 70 5.225 -10.952 2.524 1.00 1.87 C ATOM 1053 C THR A 70 6.358 -11.985 2.558 1.00 2.06 C ATOM 1054 O THR A 70 6.108 -13.188 2.670 1.00 2.24 O ATOM 1055 CB THR A 70 4.348 -11.130 1.270 1.00 1.67 C ATOM 1056 OG1 THR A 70 4.968 -10.517 0.163 1.00 1.52 O ATOM 1057 CG2 THR A 70 2.992 -10.452 1.454 1.00 1.84 C ATOM 0 H THR A 70 5.823 -9.125 1.692 1.00 1.70 H new ATOM 0 HA THR A 70 4.622 -11.138 3.413 1.00 1.87 H new ATOM 0 HB THR A 70 4.217 -12.200 1.110 1.00 1.67 H new ATOM 0 HG1 THR A 70 4.283 -10.150 -0.434 1.00 1.52 H new ATOM 0 HG21 THR A 70 2.391 -10.591 0.556 1.00 1.84 H new ATOM 0 HG22 THR A 70 2.477 -10.894 2.307 1.00 1.84 H new ATOM 0 HG23 THR A 70 3.139 -9.386 1.631 1.00 1.84 H new ATOM 1065 N GLY A 71 7.608 -11.516 2.487 1.00 2.09 N ATOM 1066 CA GLY A 71 8.816 -12.348 2.568 1.00 2.33 C ATOM 1067 C GLY A 71 9.075 -13.163 1.297 1.00 2.37 C ATOM 1068 O GLY A 71 9.685 -14.232 1.354 1.00 2.90 O ATOM 0 H GLY A 71 7.814 -10.524 2.369 1.00 2.09 H new ATOM 0 HA2 GLY A 71 9.677 -11.709 2.763 1.00 2.33 H new ATOM 0 HA3 GLY A 71 8.725 -13.028 3.415 1.00 2.33 H new ATOM 1072 N GLU A 72 8.576 -12.671 0.162 1.00 1.88 N ATOM 1073 CA GLU A 72 8.877 -13.161 -1.189 1.00 1.68 C ATOM 1074 C GLU A 72 10.372 -12.948 -1.533 1.00 2.00 C ATOM 1075 O GLU A 72 11.148 -12.456 -0.712 1.00 3.17 O ATOM 1076 CB GLU A 72 7.949 -12.435 -2.189 1.00 1.31 C ATOM 1077 CG GLU A 72 6.455 -12.745 -1.997 1.00 1.25 C ATOM 1078 CD GLU A 72 6.096 -14.155 -2.468 1.00 1.51 C ATOM 1079 OE1 GLU A 72 5.863 -14.350 -3.686 1.00 2.52 O ATOM 1080 OE2 GLU A 72 6.073 -15.101 -1.647 1.00 2.00 O ATOM 0 H GLU A 72 7.923 -11.887 0.156 1.00 1.88 H new ATOM 0 HA GLU A 72 8.695 -14.234 -1.247 1.00 1.68 H new ATOM 0 HB2 GLU A 72 8.101 -11.360 -2.095 1.00 1.31 H new ATOM 0 HB3 GLU A 72 8.239 -12.710 -3.203 1.00 1.31 H new ATOM 0 HG2 GLU A 72 6.195 -12.638 -0.944 1.00 1.25 H new ATOM 0 HG3 GLU A 72 5.860 -12.017 -2.548 1.00 1.25 H new ATOM 1087 N ALA A 73 10.793 -13.293 -2.750 1.00 2.00 N ATOM 1088 CA ALA A 73 12.153 -13.049 -3.248 1.00 2.20 C ATOM 1089 C ALA A 73 12.192 -12.313 -4.603 1.00 1.66 C ATOM 1090 O ALA A 73 13.256 -11.844 -5.018 1.00 1.84 O ATOM 1091 CB ALA A 73 12.901 -14.381 -3.287 1.00 2.83 C ATOM 0 H ALA A 73 10.192 -13.757 -3.431 1.00 2.00 H new ATOM 0 HA ALA A 73 12.653 -12.367 -2.561 1.00 2.20 H new ATOM 0 HB1 ALA A 73 13.914 -14.219 -3.655 1.00 2.83 H new ATOM 0 HB2 ALA A 73 12.943 -14.804 -2.283 1.00 2.83 H new ATOM 0 HB3 ALA A 73 12.380 -15.071 -3.951 1.00 2.83 H new ATOM 1097 N MET A 74 11.052 -12.147 -5.277 1.00 1.32 N ATOM 1098 CA MET A 74 10.888 -11.296 -6.458 1.00 1.35 C ATOM 1099 C MET A 74 9.451 -10.724 -6.528 1.00 1.23 C ATOM 1100 O MET A 74 8.525 -11.375 -6.021 1.00 1.05 O ATOM 1101 CB MET A 74 11.275 -12.061 -7.736 1.00 1.49 C ATOM 1102 CG MET A 74 10.557 -13.401 -7.935 1.00 1.62 C ATOM 1103 SD MET A 74 11.052 -14.256 -9.456 1.00 2.36 S ATOM 1104 CE MET A 74 10.297 -15.873 -9.144 1.00 2.93 C ATOM 0 H MET A 74 10.188 -12.617 -5.007 1.00 1.32 H new ATOM 0 HA MET A 74 11.565 -10.446 -6.375 1.00 1.35 H new ATOM 0 HB2 MET A 74 11.070 -11.425 -8.597 1.00 1.49 H new ATOM 0 HB3 MET A 74 12.350 -12.241 -7.721 1.00 1.49 H new ATOM 0 HG2 MET A 74 10.761 -14.046 -7.080 1.00 1.62 H new ATOM 0 HG3 MET A 74 9.481 -13.230 -7.956 1.00 1.62 H new ATOM 0 HE1 MET A 74 10.500 -16.538 -9.984 1.00 2.93 H new ATOM 0 HE2 MET A 74 10.716 -16.301 -8.233 1.00 2.93 H new ATOM 0 HE3 MET A 74 9.220 -15.755 -9.027 1.00 2.93 H new ATOM 1114 N PRO A 75 9.255 -9.531 -7.132 1.00 1.63 N ATOM 1115 CA PRO A 75 7.966 -8.836 -7.245 1.00 1.56 C ATOM 1116 C PRO A 75 6.781 -9.678 -7.748 1.00 1.28 C ATOM 1117 O PRO A 75 6.949 -10.659 -8.478 1.00 1.23 O ATOM 1118 CB PRO A 75 8.244 -7.660 -8.186 1.00 1.81 C ATOM 1119 CG PRO A 75 9.675 -7.281 -7.836 1.00 2.95 C ATOM 1120 CD PRO A 75 10.316 -8.647 -7.614 1.00 2.35 C ATOM 0 HA PRO A 75 7.633 -8.545 -6.249 1.00 1.56 H new ATOM 0 HB2 PRO A 75 8.146 -7.947 -9.233 1.00 1.81 H new ATOM 0 HB3 PRO A 75 7.553 -6.834 -8.016 1.00 1.81 H new ATOM 0 HG2 PRO A 75 10.160 -6.728 -8.641 1.00 2.95 H new ATOM 0 HG3 PRO A 75 9.726 -6.656 -6.944 1.00 2.95 H new ATOM 0 HD2 PRO A 75 10.747 -9.028 -8.540 1.00 2.35 H new ATOM 0 HD3 PRO A 75 11.126 -8.582 -6.888 1.00 2.35 H new ATOM 1128 N VAL A 76 5.564 -9.285 -7.368 1.00 1.16 N ATOM 1129 CA VAL A 76 4.314 -10.049 -7.554 1.00 0.93 C ATOM 1130 C VAL A 76 3.374 -9.349 -8.540 1.00 0.80 C ATOM 1131 O VAL A 76 3.140 -8.146 -8.426 1.00 0.80 O ATOM 1132 CB VAL A 76 3.621 -10.269 -6.190 1.00 0.91 C ATOM 1133 CG1 VAL A 76 2.326 -11.079 -6.323 1.00 0.82 C ATOM 1134 CG2 VAL A 76 4.531 -11.030 -5.214 1.00 1.03 C ATOM 0 H VAL A 76 5.408 -8.391 -6.903 1.00 1.16 H new ATOM 0 HA VAL A 76 4.566 -11.020 -7.980 1.00 0.93 H new ATOM 0 HB VAL A 76 3.399 -9.271 -5.812 1.00 0.91 H new ATOM 0 HG11 VAL A 76 1.875 -11.208 -5.339 1.00 0.82 H new ATOM 0 HG12 VAL A 76 1.631 -10.549 -6.974 1.00 0.82 H new ATOM 0 HG13 VAL A 76 2.550 -12.056 -6.750 1.00 0.82 H new ATOM 0 HG21 VAL A 76 4.013 -11.167 -4.265 1.00 1.03 H new ATOM 0 HG22 VAL A 76 4.782 -12.004 -5.635 1.00 1.03 H new ATOM 0 HG23 VAL A 76 5.445 -10.460 -5.049 1.00 1.03 H new ATOM 1144 N ALA A 77 2.797 -10.092 -9.488 1.00 0.77 N ATOM 1145 CA ALA A 77 1.857 -9.559 -10.475 1.00 0.73 C ATOM 1146 C ALA A 77 0.450 -9.338 -9.880 1.00 0.61 C ATOM 1147 O ALA A 77 -0.073 -10.176 -9.140 1.00 0.63 O ATOM 1148 CB ALA A 77 1.821 -10.500 -11.684 1.00 0.87 C ATOM 0 H ALA A 77 2.972 -11.091 -9.592 1.00 0.77 H new ATOM 0 HA ALA A 77 2.202 -8.575 -10.794 1.00 0.73 H new ATOM 0 HB1 ALA A 77 1.123 -10.112 -12.426 1.00 0.87 H new ATOM 0 HB2 ALA A 77 2.817 -10.567 -12.122 1.00 0.87 H new ATOM 0 HB3 ALA A 77 1.497 -11.491 -11.365 1.00 0.87 H new ATOM 1154 N LYS A 78 -0.160 -8.199 -10.223 1.00 0.58 N ATOM 1155 CA LYS A 78 -1.459 -7.707 -9.741 1.00 0.60 C ATOM 1156 C LYS A 78 -2.340 -7.293 -10.925 1.00 0.81 C ATOM 1157 O LYS A 78 -1.838 -6.732 -11.905 1.00 1.03 O ATOM 1158 CB LYS A 78 -1.265 -6.490 -8.816 1.00 0.61 C ATOM 1159 CG LYS A 78 -0.214 -6.621 -7.702 1.00 0.57 C ATOM 1160 CD LYS A 78 -0.579 -7.595 -6.569 1.00 0.55 C ATOM 1161 CE LYS A 78 0.549 -7.612 -5.525 1.00 0.59 C ATOM 1162 NZ LYS A 78 0.212 -8.430 -4.337 1.00 0.69 N ATOM 0 H LYS A 78 0.266 -7.553 -10.887 1.00 0.58 H new ATOM 0 HA LYS A 78 -1.941 -8.512 -9.186 1.00 0.60 H new ATOM 0 HB2 LYS A 78 -0.998 -5.633 -9.435 1.00 0.61 H new ATOM 0 HB3 LYS A 78 -2.224 -6.261 -8.352 1.00 0.61 H new ATOM 0 HG2 LYS A 78 0.727 -6.944 -8.148 1.00 0.57 H new ATOM 0 HG3 LYS A 78 -0.040 -5.635 -7.270 1.00 0.57 H new ATOM 0 HD2 LYS A 78 -1.516 -7.292 -6.102 1.00 0.55 H new ATOM 0 HD3 LYS A 78 -0.732 -8.596 -6.971 1.00 0.55 H new ATOM 0 HE2 LYS A 78 1.458 -8.001 -5.984 1.00 0.59 H new ATOM 0 HE3 LYS A 78 0.763 -6.591 -5.210 1.00 0.59 H new ATOM 0 HZ1 LYS A 78 0.959 -8.327 -3.621 1.00 0.69 H new ATOM 0 HZ2 LYS A 78 -0.694 -8.109 -3.940 1.00 0.69 H new ATOM 0 HZ3 LYS A 78 0.134 -9.429 -4.614 1.00 0.69 H new ATOM 1176 N LYS A 79 -3.644 -7.536 -10.811 1.00 0.82 N ATOM 1177 CA LYS A 79 -4.689 -7.224 -11.808 1.00 1.08 C ATOM 1178 C LYS A 79 -6.025 -6.909 -11.079 1.00 0.97 C ATOM 1179 O LYS A 79 -5.991 -6.811 -9.849 1.00 0.92 O ATOM 1180 CB LYS A 79 -4.698 -8.387 -12.825 1.00 1.52 C ATOM 1181 CG LYS A 79 -5.379 -9.679 -12.335 1.00 1.77 C ATOM 1182 CD LYS A 79 -5.288 -10.802 -13.379 1.00 2.16 C ATOM 1183 CE LYS A 79 -6.155 -10.499 -14.606 1.00 2.60 C ATOM 1184 NZ LYS A 79 -5.830 -11.382 -15.745 1.00 3.41 N ATOM 0 H LYS A 79 -4.030 -7.980 -9.978 1.00 0.82 H new ATOM 0 HA LYS A 79 -4.501 -6.319 -12.385 1.00 1.08 H new ATOM 0 HB2 LYS A 79 -5.200 -8.052 -13.732 1.00 1.52 H new ATOM 0 HB3 LYS A 79 -3.668 -8.618 -13.098 1.00 1.52 H new ATOM 0 HG2 LYS A 79 -4.911 -10.007 -11.407 1.00 1.77 H new ATOM 0 HG3 LYS A 79 -6.426 -9.475 -12.110 1.00 1.77 H new ATOM 0 HD2 LYS A 79 -4.251 -10.930 -13.688 1.00 2.16 H new ATOM 0 HD3 LYS A 79 -5.606 -11.743 -12.931 1.00 2.16 H new ATOM 0 HE2 LYS A 79 -7.207 -10.617 -14.345 1.00 2.60 H new ATOM 0 HE3 LYS A 79 -6.014 -9.459 -14.902 1.00 2.60 H new ATOM 0 HZ1 LYS A 79 -6.439 -11.144 -16.554 1.00 3.41 H new ATOM 0 HZ2 LYS A 79 -4.833 -11.252 -16.012 1.00 3.41 H new ATOM 0 HZ3 LYS A 79 -5.989 -12.373 -15.472 1.00 3.41 H new ATOM 1198 N PRO A 80 -7.200 -6.728 -11.721 1.00 0.98 N ATOM 1199 CA PRO A 80 -8.437 -6.546 -10.957 1.00 0.99 C ATOM 1200 C PRO A 80 -8.811 -7.823 -10.184 1.00 1.00 C ATOM 1201 O PRO A 80 -8.605 -8.944 -10.656 1.00 1.16 O ATOM 1202 CB PRO A 80 -9.499 -6.113 -11.966 1.00 1.09 C ATOM 1203 CG PRO A 80 -9.020 -6.762 -13.260 1.00 1.05 C ATOM 1204 CD PRO A 80 -7.497 -6.701 -13.149 1.00 1.00 C ATOM 0 HA PRO A 80 -8.330 -5.784 -10.185 1.00 0.99 H new ATOM 0 HB2 PRO A 80 -10.492 -6.461 -11.682 1.00 1.09 H new ATOM 0 HB3 PRO A 80 -9.555 -5.028 -12.054 1.00 1.09 H new ATOM 0 HG2 PRO A 80 -9.375 -7.789 -13.349 1.00 1.05 H new ATOM 0 HG3 PRO A 80 -9.380 -6.223 -14.136 1.00 1.05 H new ATOM 0 HD2 PRO A 80 -7.034 -7.545 -13.661 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -7.107 -5.794 -13.612 1.00 1.00 H new ATOM 1212 N GLY A 81 -9.345 -7.649 -8.976 1.00 0.97 N ATOM 1213 CA GLY A 81 -9.578 -8.705 -7.989 1.00 0.98 C ATOM 1214 C GLY A 81 -8.336 -9.123 -7.182 1.00 0.85 C ATOM 1215 O GLY A 81 -8.407 -10.121 -6.462 1.00 0.95 O ATOM 0 H GLY A 81 -9.640 -6.731 -8.643 1.00 0.97 H new ATOM 0 HA2 GLY A 81 -10.349 -8.370 -7.295 1.00 0.98 H new ATOM 0 HA3 GLY A 81 -9.972 -9.582 -8.503 1.00 0.98 H new ATOM 1219 N SER A 82 -7.203 -8.413 -7.285 1.00 0.92 N ATOM 1220 CA SER A 82 -5.944 -8.758 -6.581 1.00 0.78 C ATOM 1221 C SER A 82 -5.856 -8.106 -5.198 1.00 0.68 C ATOM 1222 O SER A 82 -6.562 -7.139 -4.919 1.00 0.71 O ATOM 1223 CB SER A 82 -4.712 -8.345 -7.401 1.00 0.70 C ATOM 1224 OG SER A 82 -4.516 -9.203 -8.508 1.00 1.65 O ATOM 0 H SER A 82 -7.127 -7.575 -7.862 1.00 0.92 H new ATOM 0 HA SER A 82 -5.956 -9.841 -6.458 1.00 0.78 H new ATOM 0 HB2 SER A 82 -4.833 -7.320 -7.751 1.00 0.70 H new ATOM 0 HB3 SER A 82 -3.827 -8.362 -6.765 1.00 0.70 H new ATOM 0 HG SER A 82 -3.638 -9.633 -8.438 1.00 1.65 H new ATOM 1230 N THR A 83 -4.958 -8.574 -4.327 1.00 0.69 N ATOM 1231 CA THR A 83 -4.742 -8.013 -2.978 1.00 0.67 C ATOM 1232 C THR A 83 -3.366 -7.343 -2.869 1.00 0.60 C ATOM 1233 O THR A 83 -2.407 -7.770 -3.519 1.00 0.59 O ATOM 1234 CB THR A 83 -4.913 -9.095 -1.899 1.00 0.86 C ATOM 1235 OG1 THR A 83 -3.961 -10.127 -2.065 1.00 0.91 O ATOM 1236 CG2 THR A 83 -6.300 -9.741 -1.940 1.00 1.16 C ATOM 0 H THR A 83 -4.349 -9.365 -4.536 1.00 0.69 H new ATOM 0 HA THR A 83 -5.499 -7.247 -2.811 1.00 0.67 H new ATOM 0 HB THR A 83 -4.776 -8.589 -0.944 1.00 0.86 H new ATOM 0 HG1 THR A 83 -4.087 -10.803 -1.367 1.00 0.91 H new ATOM 0 HG21 THR A 83 -6.372 -10.498 -1.159 1.00 1.16 H new ATOM 0 HG22 THR A 83 -7.062 -8.978 -1.777 1.00 1.16 H new ATOM 0 HG23 THR A 83 -6.456 -10.207 -2.913 1.00 1.16 H new ATOM 1244 N VAL A 84 -3.258 -6.278 -2.069 1.00 0.60 N ATOM 1245 CA VAL A 84 -2.017 -5.499 -1.873 1.00 0.59 C ATOM 1246 C VAL A 84 -1.801 -5.086 -0.414 1.00 0.64 C ATOM 1247 O VAL A 84 -2.753 -4.970 0.366 1.00 0.70 O ATOM 1248 CB VAL A 84 -1.950 -4.251 -2.785 1.00 0.55 C ATOM 1249 CG1 VAL A 84 -1.722 -4.631 -4.252 1.00 0.50 C ATOM 1250 CG2 VAL A 84 -3.197 -3.362 -2.689 1.00 0.61 C ATOM 0 H VAL A 84 -4.043 -5.920 -1.525 1.00 0.60 H new ATOM 0 HA VAL A 84 -1.211 -6.175 -2.157 1.00 0.59 H new ATOM 0 HB VAL A 84 -1.098 -3.679 -2.417 1.00 0.55 H new ATOM 0 HG11 VAL A 84 -1.681 -3.727 -4.860 1.00 0.50 H new ATOM 0 HG12 VAL A 84 -0.781 -5.174 -4.345 1.00 0.50 H new ATOM 0 HG13 VAL A 84 -2.541 -5.263 -4.596 1.00 0.50 H new ATOM 0 HG21 VAL A 84 -3.085 -2.505 -3.353 1.00 0.61 H new ATOM 0 HG22 VAL A 84 -4.076 -3.936 -2.982 1.00 0.61 H new ATOM 0 HG23 VAL A 84 -3.317 -3.013 -1.663 1.00 0.61 H new ATOM 1260 N ILE A 85 -0.533 -4.835 -0.069 1.00 0.67 N ATOM 1261 CA ILE A 85 -0.065 -4.377 1.252 1.00 0.72 C ATOM 1262 C ILE A 85 0.753 -3.081 1.188 1.00 0.71 C ATOM 1263 O ILE A 85 1.433 -2.784 0.200 1.00 0.94 O ATOM 1264 CB ILE A 85 0.682 -5.476 2.056 1.00 0.85 C ATOM 1265 CG1 ILE A 85 1.355 -6.589 1.228 1.00 1.23 C ATOM 1266 CG2 ILE A 85 -0.264 -6.138 3.067 1.00 1.09 C ATOM 1267 CD1 ILE A 85 2.475 -6.076 0.323 1.00 0.82 C ATOM 0 H ILE A 85 0.234 -4.950 -0.732 1.00 0.67 H new ATOM 0 HA ILE A 85 -0.978 -4.150 1.802 1.00 0.72 H new ATOM 0 HB ILE A 85 1.491 -4.930 2.541 1.00 0.85 H new ATOM 0 HG12 ILE A 85 1.760 -7.341 1.905 1.00 1.23 H new ATOM 0 HG13 ILE A 85 0.601 -7.084 0.616 1.00 1.23 H new ATOM 0 HG21 ILE A 85 0.276 -6.906 3.622 1.00 1.09 H new ATOM 0 HG22 ILE A 85 -0.640 -5.386 3.760 1.00 1.09 H new ATOM 0 HG23 ILE A 85 -1.101 -6.594 2.538 1.00 1.09 H new ATOM 0 HD11 ILE A 85 2.906 -6.910 -0.231 1.00 0.82 H new ATOM 0 HD12 ILE A 85 2.071 -5.345 -0.377 1.00 0.82 H new ATOM 0 HD13 ILE A 85 3.248 -5.607 0.931 1.00 0.82 H new ATOM 1279 N ALA A 86 0.680 -2.310 2.275 1.00 0.70 N ATOM 1280 CA ALA A 86 1.295 -0.992 2.384 1.00 0.75 C ATOM 1281 C ALA A 86 2.833 -1.032 2.301 1.00 0.74 C ATOM 1282 O ALA A 86 3.475 -2.006 2.691 1.00 0.73 O ATOM 1283 CB ALA A 86 0.815 -0.324 3.679 1.00 0.85 C ATOM 0 H ALA A 86 0.181 -2.593 3.119 1.00 0.70 H new ATOM 0 HA ALA A 86 0.979 -0.399 1.526 1.00 0.75 H new ATOM 0 HB1 ALA A 86 1.270 0.663 3.770 1.00 0.85 H new ATOM 0 HB2 ALA A 86 -0.270 -0.223 3.656 1.00 0.85 H new ATOM 0 HB3 ALA A 86 1.104 -0.936 4.533 1.00 0.85 H new ATOM 1289 N GLY A 87 3.424 0.041 1.776 1.00 0.78 N ATOM 1290 CA GLY A 87 4.871 0.192 1.594 1.00 0.81 C ATOM 1291 C GLY A 87 5.460 -0.589 0.412 1.00 0.80 C ATOM 1292 O GLY A 87 6.653 -0.460 0.126 1.00 0.89 O ATOM 0 H GLY A 87 2.896 0.853 1.456 1.00 0.78 H new ATOM 0 HA2 GLY A 87 5.097 1.250 1.460 1.00 0.81 H new ATOM 0 HA3 GLY A 87 5.372 -0.128 2.507 1.00 0.81 H new ATOM 1296 N SER A 88 4.648 -1.366 -0.310 1.00 0.74 N ATOM 1297 CA SER A 88 5.053 -1.971 -1.581 1.00 0.72 C ATOM 1298 C SER A 88 5.043 -0.942 -2.730 1.00 0.68 C ATOM 1299 O SER A 88 4.367 0.088 -2.645 1.00 0.68 O ATOM 1300 CB SER A 88 4.244 -3.244 -1.865 1.00 0.71 C ATOM 1301 OG SER A 88 2.867 -3.002 -2.078 1.00 1.54 O ATOM 0 H SER A 88 3.694 -1.593 -0.030 1.00 0.74 H new ATOM 0 HA SER A 88 6.091 -2.292 -1.501 1.00 0.72 H new ATOM 0 HB2 SER A 88 4.658 -3.739 -2.743 1.00 0.71 H new ATOM 0 HB3 SER A 88 4.358 -3.932 -1.027 1.00 0.71 H new ATOM 0 HG SER A 88 2.432 -2.809 -1.221 1.00 1.54 H new ATOM 1307 N ILE A 89 5.844 -1.185 -3.777 1.00 0.66 N ATOM 1308 CA ILE A 89 6.090 -0.226 -4.880 1.00 0.67 C ATOM 1309 C ILE A 89 5.500 -0.751 -6.196 1.00 0.57 C ATOM 1310 O ILE A 89 5.671 -1.927 -6.516 1.00 0.60 O ATOM 1311 CB ILE A 89 7.599 0.088 -5.067 1.00 0.83 C ATOM 1312 CG1 ILE A 89 8.462 0.022 -3.786 1.00 1.03 C ATOM 1313 CG2 ILE A 89 7.779 1.454 -5.755 1.00 0.84 C ATOM 1314 CD1 ILE A 89 8.113 1.040 -2.694 1.00 1.14 C ATOM 0 H ILE A 89 6.350 -2.064 -3.889 1.00 0.66 H new ATOM 0 HA ILE A 89 5.592 0.703 -4.604 1.00 0.67 H new ATOM 0 HB ILE A 89 7.972 -0.719 -5.698 1.00 0.83 H new ATOM 0 HG12 ILE A 89 8.376 -0.979 -3.364 1.00 1.03 H new ATOM 0 HG13 ILE A 89 9.506 0.161 -4.066 1.00 1.03 H new ATOM 0 HG21 ILE A 89 8.842 1.661 -5.880 1.00 0.84 H new ATOM 0 HG22 ILE A 89 7.296 1.436 -6.732 1.00 0.84 H new ATOM 0 HG23 ILE A 89 7.327 2.233 -5.141 1.00 0.84 H new ATOM 0 HD11 ILE A 89 8.780 0.904 -1.843 1.00 1.14 H new ATOM 0 HD12 ILE A 89 8.229 2.050 -3.088 1.00 1.14 H new ATOM 0 HD13 ILE A 89 7.082 0.891 -2.374 1.00 1.14 H new ATOM 1326 N ASN A 90 4.840 0.100 -6.981 1.00 0.53 N ATOM 1327 CA ASN A 90 4.147 -0.242 -8.227 1.00 0.52 C ATOM 1328 C ASN A 90 5.023 -0.061 -9.486 1.00 0.59 C ATOM 1329 O ASN A 90 5.875 0.829 -9.523 1.00 0.72 O ATOM 1330 CB ASN A 90 2.875 0.624 -8.304 1.00 0.54 C ATOM 1331 CG ASN A 90 1.939 0.124 -9.376 1.00 0.68 C ATOM 1332 OD1 ASN A 90 1.657 -1.056 -9.442 1.00 1.50 O ATOM 1333 ND2 ASN A 90 1.475 0.985 -10.245 1.00 0.47 N ATOM 0 H ASN A 90 4.769 1.093 -6.757 1.00 0.53 H new ATOM 0 HA ASN A 90 3.898 -1.303 -8.209 1.00 0.52 H new ATOM 0 HB2 ASN A 90 2.366 0.614 -7.340 1.00 0.54 H new ATOM 0 HB3 ASN A 90 3.148 1.659 -8.510 1.00 0.54 H new ATOM 0 HD21 ASN A 90 0.863 0.670 -10.998 1.00 0.47 H new ATOM 0 HD22 ASN A 90 1.725 1.971 -10.170 1.00 0.47 H new ATOM 1340 N GLN A 91 4.799 -0.857 -10.542 1.00 0.68 N ATOM 1341 CA GLN A 91 5.518 -0.747 -11.824 1.00 0.80 C ATOM 1342 C GLN A 91 4.749 -1.434 -12.977 1.00 1.32 C ATOM 1343 O GLN A 91 4.560 -2.649 -12.927 1.00 2.88 O ATOM 1344 CB GLN A 91 6.925 -1.360 -11.622 1.00 1.25 C ATOM 1345 CG GLN A 91 7.955 -1.045 -12.715 1.00 1.56 C ATOM 1346 CD GLN A 91 7.782 -1.926 -13.940 1.00 2.74 C ATOM 1347 OE1 GLN A 91 8.099 -3.114 -13.927 1.00 3.97 O ATOM 1348 NE2 GLN A 91 7.242 -1.400 -15.013 1.00 3.94 N ATOM 0 H GLN A 91 4.105 -1.605 -10.532 1.00 0.68 H new ATOM 0 HA GLN A 91 5.605 0.300 -12.116 1.00 0.80 H new ATOM 0 HB2 GLN A 91 7.319 -1.011 -10.667 1.00 1.25 H new ATOM 0 HB3 GLN A 91 6.822 -2.443 -11.548 1.00 1.25 H new ATOM 0 HG2 GLN A 91 7.864 0.001 -13.007 1.00 1.56 H new ATOM 0 HG3 GLN A 91 8.960 -1.178 -12.314 1.00 1.56 H new ATOM 0 HE21 GLN A 91 6.980 -0.414 -15.021 1.00 3.94 H new ATOM 0 HE22 GLN A 91 7.084 -1.977 -15.839 1.00 3.94 H new ATOM 1357 N ASN A 92 4.298 -0.645 -13.972 1.00 0.80 N ATOM 1358 CA ASN A 92 3.767 -0.965 -15.324 1.00 1.18 C ATOM 1359 C ASN A 92 2.698 0.068 -15.754 1.00 1.31 C ATOM 1360 O ASN A 92 2.724 0.576 -16.878 1.00 2.49 O ATOM 1361 CB ASN A 92 3.196 -2.389 -15.479 1.00 1.94 C ATOM 1362 CG ASN A 92 2.773 -2.674 -16.908 1.00 2.45 C ATOM 1363 OD1 ASN A 92 3.595 -2.946 -17.770 1.00 3.22 O ATOM 1364 ND2 ASN A 92 1.506 -2.592 -17.233 1.00 2.41 N ATOM 0 H ASN A 92 4.295 0.366 -13.834 1.00 0.80 H new ATOM 0 HA ASN A 92 4.637 -0.915 -15.979 1.00 1.18 H new ATOM 0 HB2 ASN A 92 3.946 -3.117 -15.170 1.00 1.94 H new ATOM 0 HB3 ASN A 92 2.340 -2.512 -14.815 1.00 1.94 H new ATOM 0 HD21 ASN A 92 1.215 -2.755 -18.197 1.00 2.41 H new ATOM 0 HD22 ASN A 92 0.811 -2.366 -16.522 1.00 2.41 H new ATOM 1371 N GLY A 93 1.756 0.404 -14.866 1.00 1.06 N ATOM 1372 CA GLY A 93 0.641 1.309 -15.171 1.00 1.75 C ATOM 1373 C GLY A 93 -0.198 1.727 -13.962 1.00 1.56 C ATOM 1374 O GLY A 93 0.080 1.340 -12.826 1.00 2.11 O ATOM 0 H GLY A 93 1.745 0.053 -13.908 1.00 1.06 H new ATOM 0 HA2 GLY A 93 1.039 2.206 -15.646 1.00 1.75 H new ATOM 0 HA3 GLY A 93 -0.012 0.826 -15.898 1.00 1.75 H new ATOM 1378 N SER A 94 -1.213 2.553 -14.219 1.00 1.31 N ATOM 1379 CA SER A 94 -2.077 3.144 -13.190 1.00 1.15 C ATOM 1380 C SER A 94 -3.238 2.214 -12.799 1.00 1.05 C ATOM 1381 O SER A 94 -3.933 1.689 -13.678 1.00 1.24 O ATOM 1382 CB SER A 94 -2.613 4.512 -13.645 1.00 1.43 C ATOM 1383 OG SER A 94 -1.574 5.382 -14.073 1.00 2.25 O ATOM 0 H SER A 94 -1.464 2.837 -15.166 1.00 1.31 H new ATOM 0 HA SER A 94 -1.461 3.285 -12.302 1.00 1.15 H new ATOM 0 HB2 SER A 94 -3.323 4.369 -14.460 1.00 1.43 H new ATOM 0 HB3 SER A 94 -3.159 4.977 -12.824 1.00 1.43 H new ATOM 0 HG SER A 94 -1.959 6.238 -14.355 1.00 2.25 H new ATOM 1389 N LEU A 95 -3.472 2.029 -11.492 1.00 0.92 N ATOM 1390 CA LEU A 95 -4.472 1.107 -10.914 1.00 0.87 C ATOM 1391 C LEU A 95 -5.396 1.807 -9.904 1.00 0.74 C ATOM 1392 O LEU A 95 -5.038 2.846 -9.346 1.00 0.68 O ATOM 1393 CB LEU A 95 -3.813 -0.089 -10.180 1.00 0.82 C ATOM 1394 CG LEU A 95 -2.393 -0.527 -10.557 1.00 1.18 C ATOM 1395 CD1 LEU A 95 -1.894 -1.514 -9.497 1.00 1.05 C ATOM 1396 CD2 LEU A 95 -2.381 -1.217 -11.912 1.00 1.76 C ATOM 0 H LEU A 95 -2.951 2.536 -10.776 1.00 0.92 H new ATOM 0 HA LEU A 95 -5.050 0.752 -11.767 1.00 0.87 H new ATOM 0 HB2 LEU A 95 -3.809 0.145 -9.116 1.00 0.82 H new ATOM 0 HB3 LEU A 95 -4.465 -0.952 -10.314 1.00 0.82 H new ATOM 0 HG LEU A 95 -1.751 0.353 -10.608 1.00 1.18 H new ATOM 0 HD11 LEU A 95 -0.884 -1.838 -9.748 1.00 1.05 H new ATOM 0 HD12 LEU A 95 -1.887 -1.028 -8.522 1.00 1.05 H new ATOM 0 HD13 LEU A 95 -2.555 -2.380 -9.466 1.00 1.05 H new ATOM 0 HD21 LEU A 95 -1.363 -1.519 -12.158 1.00 1.76 H new ATOM 0 HD22 LEU A 95 -3.022 -2.098 -11.877 1.00 1.76 H new ATOM 0 HD23 LEU A 95 -2.750 -0.530 -12.674 1.00 1.76 H new ATOM 1408 N LEU A 96 -6.529 1.176 -9.579 1.00 0.72 N ATOM 1409 CA LEU A 96 -7.443 1.614 -8.513 1.00 0.66 C ATOM 1410 C LEU A 96 -7.582 0.560 -7.405 1.00 0.62 C ATOM 1411 O LEU A 96 -7.895 -0.604 -7.673 1.00 0.70 O ATOM 1412 CB LEU A 96 -8.808 1.982 -9.121 1.00 0.83 C ATOM 1413 CG LEU A 96 -8.768 3.292 -9.927 1.00 1.35 C ATOM 1414 CD1 LEU A 96 -9.991 3.421 -10.825 1.00 1.99 C ATOM 1415 CD2 LEU A 96 -8.778 4.509 -9.008 1.00 2.52 C ATOM 0 H LEU A 96 -6.844 0.332 -10.056 1.00 0.72 H new ATOM 0 HA LEU A 96 -7.020 2.500 -8.040 1.00 0.66 H new ATOM 0 HB2 LEU A 96 -9.142 1.172 -9.769 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -9.543 2.075 -8.322 1.00 0.83 H new ATOM 0 HG LEU A 96 -7.851 3.258 -10.516 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -9.936 4.356 -11.383 1.00 1.99 H new ATOM 0 HD12 LEU A 96 -10.020 2.584 -11.522 1.00 1.99 H new ATOM 0 HD13 LEU A 96 -10.893 3.416 -10.214 1.00 1.99 H new ATOM 0 HD21 LEU A 96 -8.749 5.418 -9.608 1.00 2.52 H new ATOM 0 HD22 LEU A 96 -9.685 4.501 -8.404 1.00 2.52 H new ATOM 0 HD23 LEU A 96 -7.907 4.478 -8.354 1.00 2.52 H new ATOM 1427 N ILE A 97 -7.362 0.987 -6.157 1.00 0.54 N ATOM 1428 CA ILE A 97 -7.382 0.138 -4.957 1.00 0.55 C ATOM 1429 C ILE A 97 -8.467 0.599 -3.980 1.00 0.55 C ATOM 1430 O ILE A 97 -8.475 1.756 -3.568 1.00 0.50 O ATOM 1431 CB ILE A 97 -5.997 0.123 -4.268 1.00 0.57 C ATOM 1432 CG1 ILE A 97 -4.856 -0.207 -5.255 1.00 0.77 C ATOM 1433 CG2 ILE A 97 -5.962 -0.913 -3.130 1.00 0.64 C ATOM 1434 CD1 ILE A 97 -4.196 1.031 -5.873 1.00 1.25 C ATOM 0 H ILE A 97 -7.158 1.964 -5.946 1.00 0.54 H new ATOM 0 HA ILE A 97 -7.616 -0.879 -5.270 1.00 0.55 H new ATOM 0 HB ILE A 97 -5.844 1.127 -3.873 1.00 0.57 H new ATOM 0 HG12 ILE A 97 -4.096 -0.791 -4.736 1.00 0.77 H new ATOM 0 HG13 ILE A 97 -5.250 -0.835 -6.054 1.00 0.77 H new ATOM 0 HG21 ILE A 97 -4.978 -0.905 -2.661 1.00 0.64 H new ATOM 0 HG22 ILE A 97 -6.720 -0.664 -2.388 1.00 0.64 H new ATOM 0 HG23 ILE A 97 -6.163 -1.905 -3.535 1.00 0.64 H new ATOM 0 HD11 ILE A 97 -3.405 0.719 -6.555 1.00 1.25 H new ATOM 0 HD12 ILE A 97 -4.942 1.606 -6.422 1.00 1.25 H new ATOM 0 HD13 ILE A 97 -3.771 1.650 -5.083 1.00 1.25 H new ATOM 1446 N CYS A 98 -9.344 -0.309 -3.554 1.00 0.64 N ATOM 1447 CA CYS A 98 -10.284 -0.060 -2.464 1.00 0.67 C ATOM 1448 C CYS A 98 -9.603 -0.296 -1.109 1.00 0.71 C ATOM 1449 O CYS A 98 -9.045 -1.370 -0.853 1.00 0.79 O ATOM 1450 CB CYS A 98 -11.542 -0.918 -2.658 1.00 0.78 C ATOM 1451 SG CYS A 98 -12.766 -0.504 -1.381 1.00 2.75 S ATOM 0 H CYS A 98 -9.422 -1.242 -3.958 1.00 0.64 H new ATOM 0 HA CYS A 98 -10.600 0.983 -2.476 1.00 0.67 H new ATOM 0 HB2 CYS A 98 -11.963 -0.745 -3.649 1.00 0.78 H new ATOM 0 HB3 CYS A 98 -11.285 -1.976 -2.600 1.00 0.78 H new ATOM 0 HG CYS A 98 -13.831 -1.230 -1.549 1.00 2.75 H new ATOM 1457 N ALA A 99 -9.656 0.713 -0.239 1.00 0.75 N ATOM 1458 CA ALA A 99 -9.165 0.640 1.128 1.00 0.90 C ATOM 1459 C ALA A 99 -10.253 0.051 2.040 1.00 1.16 C ATOM 1460 O ALA A 99 -11.206 0.736 2.417 1.00 1.07 O ATOM 1461 CB ALA A 99 -8.715 2.043 1.563 1.00 0.91 C ATOM 0 H ALA A 99 -10.052 1.623 -0.476 1.00 0.75 H new ATOM 0 HA ALA A 99 -8.304 -0.024 1.201 1.00 0.90 H new ATOM 0 HB1 ALA A 99 -8.344 2.005 2.587 1.00 0.91 H new ATOM 0 HB2 ALA A 99 -7.921 2.392 0.902 1.00 0.91 H new ATOM 0 HB3 ALA A 99 -9.560 2.729 1.509 1.00 0.91 H new ATOM 1467 N THR A 100 -10.094 -1.217 2.422 1.00 1.60 N ATOM 1468 CA THR A 100 -10.907 -1.889 3.458 1.00 1.70 C ATOM 1469 C THR A 100 -10.249 -1.825 4.839 1.00 1.69 C ATOM 1470 O THR A 100 -10.841 -2.262 5.829 1.00 1.72 O ATOM 1471 CB THR A 100 -11.178 -3.354 3.066 1.00 1.78 C ATOM 1472 OG1 THR A 100 -9.961 -4.052 2.861 1.00 2.17 O ATOM 1473 CG2 THR A 100 -11.967 -3.461 1.762 1.00 2.73 C ATOM 0 H THR A 100 -9.383 -1.826 2.016 1.00 1.60 H new ATOM 0 HA THR A 100 -11.854 -1.353 3.521 1.00 1.70 H new ATOM 0 HB THR A 100 -11.750 -3.784 3.888 1.00 1.78 H new ATOM 0 HG1 THR A 100 -10.154 -4.981 2.615 1.00 2.17 H new ATOM 0 HG21 THR A 100 -12.135 -4.511 1.524 1.00 2.73 H new ATOM 0 HG22 THR A 100 -12.926 -2.956 1.875 1.00 2.73 H new ATOM 0 HG23 THR A 100 -11.403 -2.992 0.956 1.00 2.73 H new ATOM 1481 N HIS A 101 -9.038 -1.265 4.911 1.00 1.68 N ATOM 1482 CA HIS A 101 -8.222 -1.117 6.109 1.00 1.69 C ATOM 1483 C HIS A 101 -7.603 0.287 6.148 1.00 1.63 C ATOM 1484 O HIS A 101 -7.108 0.784 5.136 1.00 1.55 O ATOM 1485 CB HIS A 101 -7.119 -2.187 6.097 1.00 1.85 C ATOM 1486 CG HIS A 101 -7.646 -3.582 5.895 1.00 2.09 C ATOM 1487 ND1 HIS A 101 -7.437 -4.362 4.785 1.00 2.21 N ATOM 1488 CD2 HIS A 101 -8.426 -4.299 6.759 1.00 2.34 C ATOM 1489 CE1 HIS A 101 -8.055 -5.534 4.977 1.00 2.47 C ATOM 1490 NE2 HIS A 101 -8.699 -5.536 6.156 1.00 2.57 N ATOM 0 H HIS A 101 -8.579 -0.882 4.084 1.00 1.68 H new ATOM 0 HA HIS A 101 -8.841 -1.246 6.997 1.00 1.69 H new ATOM 0 HB2 HIS A 101 -6.407 -1.956 5.304 1.00 1.85 H new ATOM 0 HB3 HIS A 101 -6.572 -2.145 7.039 1.00 1.85 H new ATOM 0 HD1 HIS A 101 -6.904 -4.095 3.958 1.00 2.21 H new ATOM 0 HD2 HIS A 101 -8.770 -3.973 7.729 1.00 2.34 H new ATOM 0 HE1 HIS A 101 -8.038 -6.361 4.282 1.00 2.47 H new ATOM 1498 N VAL A 102 -7.618 0.916 7.320 1.00 1.72 N ATOM 1499 CA VAL A 102 -6.916 2.180 7.599 1.00 1.74 C ATOM 1500 C VAL A 102 -5.483 1.904 8.081 1.00 1.71 C ATOM 1501 O VAL A 102 -5.140 0.757 8.369 1.00 1.71 O ATOM 1502 CB VAL A 102 -7.770 3.012 8.567 1.00 1.98 C ATOM 1503 CG1 VAL A 102 -7.643 2.541 10.017 1.00 2.49 C ATOM 1504 CG2 VAL A 102 -7.465 4.508 8.476 1.00 2.44 C ATOM 0 H VAL A 102 -8.129 0.558 8.127 1.00 1.72 H new ATOM 0 HA VAL A 102 -6.796 2.775 6.694 1.00 1.74 H new ATOM 0 HB VAL A 102 -8.801 2.854 8.250 1.00 1.98 H new ATOM 0 HG11 VAL A 102 -8.267 3.164 10.658 1.00 2.49 H new ATOM 0 HG12 VAL A 102 -7.968 1.503 10.092 1.00 2.49 H new ATOM 0 HG13 VAL A 102 -6.604 2.620 10.336 1.00 2.49 H new ATOM 0 HG21 VAL A 102 -8.095 5.051 9.180 1.00 2.44 H new ATOM 0 HG22 VAL A 102 -6.417 4.681 8.719 1.00 2.44 H new ATOM 0 HG23 VAL A 102 -7.666 4.859 7.464 1.00 2.44 H new ATOM 1514 N GLY A 103 -4.615 2.919 8.197 1.00 1.74 N ATOM 1515 CA GLY A 103 -3.186 2.705 8.466 1.00 1.78 C ATOM 1516 C GLY A 103 -2.880 1.955 9.768 1.00 1.89 C ATOM 1517 O GLY A 103 -1.994 1.104 9.778 1.00 1.90 O ATOM 0 H GLY A 103 -4.879 3.900 8.108 1.00 1.74 H new ATOM 0 HA2 GLY A 103 -2.754 2.150 7.634 1.00 1.78 H new ATOM 0 HA3 GLY A 103 -2.688 3.674 8.496 1.00 1.78 H new ATOM 1521 N ALA A 104 -3.656 2.169 10.836 1.00 2.05 N ATOM 1522 CA ALA A 104 -3.492 1.434 12.097 1.00 2.17 C ATOM 1523 C ALA A 104 -3.760 -0.084 11.958 1.00 2.04 C ATOM 1524 O ALA A 104 -3.116 -0.893 12.629 1.00 2.03 O ATOM 1525 CB ALA A 104 -4.412 2.072 13.144 1.00 2.50 C ATOM 0 H ALA A 104 -4.412 2.853 10.852 1.00 2.05 H new ATOM 0 HA ALA A 104 -2.450 1.510 12.409 1.00 2.17 H new ATOM 0 HB1 ALA A 104 -4.308 1.542 14.091 1.00 2.50 H new ATOM 0 HB2 ALA A 104 -4.137 3.118 13.281 1.00 2.50 H new ATOM 0 HB3 ALA A 104 -5.446 2.010 12.806 1.00 2.50 H new ATOM 1531 N ASP A 105 -4.666 -0.479 11.059 1.00 2.00 N ATOM 1532 CA ASP A 105 -4.928 -1.876 10.679 1.00 2.00 C ATOM 1533 C ASP A 105 -3.831 -2.493 9.782 1.00 1.63 C ATOM 1534 O ASP A 105 -3.892 -3.684 9.483 1.00 1.84 O ATOM 1535 CB ASP A 105 -6.344 -2.006 10.109 1.00 2.30 C ATOM 1536 CG ASP A 105 -6.888 -3.436 10.241 1.00 2.59 C ATOM 1537 OD1 ASP A 105 -7.515 -3.722 11.295 1.00 2.56 O ATOM 1538 OD2 ASP A 105 -6.731 -4.249 9.298 1.00 3.75 O ATOM 0 H ASP A 105 -5.258 0.184 10.558 1.00 2.00 H new ATOM 0 HA ASP A 105 -4.880 -2.482 11.583 1.00 2.00 H new ATOM 0 HB2 ASP A 105 -7.009 -1.316 10.628 1.00 2.30 H new ATOM 0 HB3 ASP A 105 -6.340 -1.715 9.059 1.00 2.30 H new ATOM 1543 N THR A 106 -2.829 -1.727 9.327 1.00 1.23 N ATOM 1544 CA THR A 106 -1.694 -2.275 8.556 1.00 0.97 C ATOM 1545 C THR A 106 -0.630 -2.916 9.445 1.00 0.90 C ATOM 1546 O THR A 106 -0.384 -2.468 10.564 1.00 0.95 O ATOM 1547 CB THR A 106 -1.061 -1.282 7.570 1.00 0.97 C ATOM 1548 OG1 THR A 106 -0.385 -0.228 8.209 1.00 1.49 O ATOM 1549 CG2 THR A 106 -2.072 -0.681 6.598 1.00 1.72 C ATOM 0 H THR A 106 -2.778 -0.720 9.479 1.00 1.23 H new ATOM 0 HA THR A 106 -2.142 -3.061 7.948 1.00 0.97 H new ATOM 0 HB THR A 106 -0.342 -1.884 7.014 1.00 0.97 H new ATOM 0 HG1 THR A 106 -1.019 0.285 8.752 1.00 1.49 H new ATOM 0 HG21 THR A 106 -1.564 0.012 5.927 1.00 1.72 H new ATOM 0 HG22 THR A 106 -2.534 -1.478 6.015 1.00 1.72 H new ATOM 0 HG23 THR A 106 -2.841 -0.148 7.157 1.00 1.72 H new ATOM 1557 N THR A 107 0.037 -3.965 8.956 1.00 1.22 N ATOM 1558 CA THR A 107 1.024 -4.736 9.740 1.00 1.52 C ATOM 1559 C THR A 107 2.340 -3.980 10.024 1.00 1.58 C ATOM 1560 O THR A 107 3.000 -4.250 11.020 1.00 1.73 O ATOM 1561 CB THR A 107 1.253 -6.107 9.067 1.00 1.96 C ATOM 1562 OG1 THR A 107 2.045 -6.974 9.846 1.00 2.69 O ATOM 1563 CG2 THR A 107 1.944 -6.017 7.706 1.00 2.13 C ATOM 0 H THR A 107 -0.088 -4.310 8.004 1.00 1.22 H new ATOM 0 HA THR A 107 0.602 -4.893 10.733 1.00 1.52 H new ATOM 0 HB THR A 107 0.241 -6.494 8.952 1.00 1.96 H new ATOM 0 HG1 THR A 107 2.157 -7.826 9.375 1.00 2.69 H new ATOM 0 HG21 THR A 107 2.071 -7.019 7.295 1.00 2.13 H new ATOM 0 HG22 THR A 107 1.334 -5.421 7.027 1.00 2.13 H new ATOM 0 HG23 THR A 107 2.920 -5.547 7.824 1.00 2.13 H new ATOM 1571 N LEU A 108 2.720 -2.973 9.226 1.00 1.54 N ATOM 1572 CA LEU A 108 4.070 -2.376 9.271 1.00 1.51 C ATOM 1573 C LEU A 108 4.488 -1.765 10.624 1.00 1.54 C ATOM 1574 O LEU A 108 5.494 -2.189 11.195 1.00 1.46 O ATOM 1575 CB LEU A 108 4.243 -1.344 8.143 1.00 1.50 C ATOM 1576 CG LEU A 108 4.450 -1.918 6.730 1.00 0.61 C ATOM 1577 CD1 LEU A 108 3.217 -2.620 6.164 1.00 1.53 C ATOM 1578 CD2 LEU A 108 4.801 -0.769 5.797 1.00 0.75 C ATOM 0 H LEU A 108 2.106 -2.547 8.532 1.00 1.54 H new ATOM 0 HA LEU A 108 4.745 -3.219 9.126 1.00 1.51 H new ATOM 0 HB2 LEU A 108 3.363 -0.701 8.127 1.00 1.50 H new ATOM 0 HB3 LEU A 108 5.096 -0.710 8.385 1.00 1.50 H new ATOM 0 HG LEU A 108 5.242 -2.663 6.803 1.00 0.61 H new ATOM 0 HD11 LEU A 108 3.439 -2.998 5.166 1.00 1.53 H new ATOM 0 HD12 LEU A 108 2.941 -3.451 6.814 1.00 1.53 H new ATOM 0 HD13 LEU A 108 2.389 -1.913 6.108 1.00 1.53 H new ATOM 0 HD21 LEU A 108 4.952 -1.153 4.788 1.00 0.75 H new ATOM 0 HD22 LEU A 108 3.987 -0.044 5.791 1.00 0.75 H new ATOM 0 HD23 LEU A 108 5.715 -0.286 6.142 1.00 0.75 H new ATOM 1590 N SER A 109 3.738 -0.792 11.152 1.00 1.73 N ATOM 1591 CA SER A 109 4.032 -0.198 12.478 1.00 1.88 C ATOM 1592 C SER A 109 3.683 -1.139 13.639 1.00 1.90 C ATOM 1593 O SER A 109 4.144 -0.928 14.762 1.00 1.96 O ATOM 1594 CB SER A 109 3.380 1.179 12.691 1.00 2.28 C ATOM 1595 OG SER A 109 3.924 2.163 11.831 1.00 3.40 O ATOM 0 H SER A 109 2.921 -0.393 10.688 1.00 1.73 H new ATOM 0 HA SER A 109 5.112 -0.047 12.477 1.00 1.88 H new ATOM 0 HB2 SER A 109 2.306 1.102 12.520 1.00 2.28 H new ATOM 0 HB3 SER A 109 3.516 1.488 13.727 1.00 2.28 H new ATOM 0 HG SER A 109 3.482 3.022 11.996 1.00 3.40 H new ATOM 1601 N GLN A 110 2.900 -2.191 13.374 1.00 1.90 N ATOM 1602 CA GLN A 110 2.611 -3.263 14.336 1.00 1.94 C ATOM 1603 C GLN A 110 3.839 -4.177 14.550 1.00 1.88 C ATOM 1604 O GLN A 110 4.183 -4.490 15.690 1.00 1.96 O ATOM 1605 CB GLN A 110 1.338 -4.010 13.878 1.00 2.03 C ATOM 1606 CG GLN A 110 0.769 -5.033 14.869 1.00 2.08 C ATOM 1607 CD GLN A 110 0.075 -4.349 16.030 1.00 2.25 C ATOM 1608 OE1 GLN A 110 0.594 -4.257 17.130 1.00 2.36 O ATOM 1609 NE2 GLN A 110 -1.109 -3.816 15.851 1.00 2.38 N ATOM 0 H GLN A 110 2.442 -2.324 12.472 1.00 1.90 H new ATOM 0 HA GLN A 110 2.408 -2.845 15.322 1.00 1.94 H new ATOM 0 HB2 GLN A 110 0.565 -3.272 13.663 1.00 2.03 H new ATOM 0 HB3 GLN A 110 1.558 -4.523 12.942 1.00 2.03 H new ATOM 0 HG2 GLN A 110 0.064 -5.687 14.355 1.00 2.08 H new ATOM 0 HG3 GLN A 110 1.574 -5.665 15.245 1.00 2.08 H new ATOM 0 HE21 GLN A 110 -1.564 -3.879 14.941 1.00 2.38 H new ATOM 0 HE22 GLN A 110 -1.575 -3.338 16.622 1.00 2.38 H new ATOM 1618 N ILE A 111 4.549 -4.548 13.471 1.00 1.77 N ATOM 1619 CA ILE A 111 5.709 -5.469 13.491 1.00 1.66 C ATOM 1620 C ILE A 111 6.832 -4.979 14.415 1.00 1.61 C ATOM 1621 O ILE A 111 7.371 -5.757 15.208 1.00 1.59 O ATOM 1622 CB ILE A 111 6.237 -5.696 12.047 1.00 1.60 C ATOM 1623 CG1 ILE A 111 5.260 -6.585 11.244 1.00 1.67 C ATOM 1624 CG2 ILE A 111 7.636 -6.349 12.020 1.00 1.56 C ATOM 1625 CD1 ILE A 111 5.458 -6.487 9.724 1.00 1.67 C ATOM 0 H ILE A 111 4.330 -4.209 12.534 1.00 1.77 H new ATOM 0 HA ILE A 111 5.364 -6.420 13.898 1.00 1.66 H new ATOM 0 HB ILE A 111 6.313 -4.708 11.592 1.00 1.60 H new ATOM 0 HG12 ILE A 111 5.386 -7.623 11.554 1.00 1.67 H new ATOM 0 HG13 ILE A 111 4.237 -6.301 11.489 1.00 1.67 H new ATOM 0 HG21 ILE A 111 7.955 -6.484 10.986 1.00 1.56 H new ATOM 0 HG22 ILE A 111 8.348 -5.706 12.538 1.00 1.56 H new ATOM 0 HG23 ILE A 111 7.595 -7.319 12.516 1.00 1.56 H new ATOM 0 HD11 ILE A 111 4.741 -7.136 9.221 1.00 1.67 H new ATOM 0 HD12 ILE A 111 5.303 -5.457 9.403 1.00 1.67 H new ATOM 0 HD13 ILE A 111 6.471 -6.799 9.468 1.00 1.67 H new ATOM 1637 N VAL A 112 7.201 -3.693 14.352 1.00 1.65 N ATOM 1638 CA VAL A 112 8.375 -3.166 15.079 1.00 1.66 C ATOM 1639 C VAL A 112 8.256 -3.223 16.602 1.00 1.90 C ATOM 1640 O VAL A 112 9.267 -3.178 17.302 1.00 1.98 O ATOM 1641 CB VAL A 112 8.725 -1.730 14.650 1.00 1.69 C ATOM 1642 CG1 VAL A 112 9.132 -1.697 13.177 1.00 1.54 C ATOM 1643 CG2 VAL A 112 7.590 -0.723 14.866 1.00 1.90 C ATOM 0 H VAL A 112 6.704 -2.991 13.804 1.00 1.65 H new ATOM 0 HA VAL A 112 9.183 -3.841 14.796 1.00 1.66 H new ATOM 0 HB VAL A 112 9.553 -1.430 15.292 1.00 1.69 H new ATOM 0 HG11 VAL A 112 9.376 -0.674 12.890 1.00 1.54 H new ATOM 0 HG12 VAL A 112 10.003 -2.334 13.026 1.00 1.54 H new ATOM 0 HG13 VAL A 112 8.307 -2.059 12.563 1.00 1.54 H new ATOM 0 HG21 VAL A 112 7.914 0.265 14.540 1.00 1.90 H new ATOM 0 HG22 VAL A 112 6.718 -1.028 14.288 1.00 1.90 H new ATOM 0 HG23 VAL A 112 7.330 -0.689 15.924 1.00 1.90 H new ATOM 1653 N LYS A 113 7.044 -3.358 17.141 1.00 2.07 N ATOM 1654 CA LYS A 113 6.815 -3.566 18.580 1.00 2.35 C ATOM 1655 C LYS A 113 7.193 -4.981 19.034 1.00 2.38 C ATOM 1656 O LYS A 113 7.632 -5.156 20.169 1.00 2.46 O ATOM 1657 CB LYS A 113 5.366 -3.216 18.925 1.00 2.55 C ATOM 1658 CG LYS A 113 5.028 -1.771 18.506 1.00 2.41 C ATOM 1659 CD LYS A 113 3.621 -1.360 18.933 1.00 2.79 C ATOM 1660 CE LYS A 113 2.610 -2.365 18.389 1.00 2.48 C ATOM 1661 NZ LYS A 113 1.225 -1.873 18.500 1.00 2.68 N ATOM 0 H LYS A 113 6.185 -3.327 16.592 1.00 2.07 H new ATOM 0 HA LYS A 113 7.475 -2.897 19.132 1.00 2.35 H new ATOM 0 HB2 LYS A 113 4.692 -3.910 18.423 1.00 2.55 H new ATOM 0 HB3 LYS A 113 5.206 -3.334 19.997 1.00 2.55 H new ATOM 0 HG2 LYS A 113 5.754 -1.088 18.947 1.00 2.41 H new ATOM 0 HG3 LYS A 113 5.119 -1.678 17.424 1.00 2.41 H new ATOM 0 HD2 LYS A 113 3.558 -1.317 20.020 1.00 2.79 H new ATOM 0 HD3 LYS A 113 3.394 -0.361 18.560 1.00 2.79 H new ATOM 0 HE2 LYS A 113 2.836 -2.577 17.344 1.00 2.48 H new ATOM 0 HE3 LYS A 113 2.705 -3.305 18.933 1.00 2.48 H new ATOM 0 HZ1 LYS A 113 0.577 -2.556 18.058 1.00 2.68 H new ATOM 0 HZ2 LYS A 113 0.976 -1.759 19.503 1.00 2.68 H new ATOM 0 HZ3 LYS A 113 1.143 -0.956 18.017 1.00 2.68 H new ATOM 1675 N LEU A 114 7.043 -5.969 18.142 1.00 2.33 N ATOM 1676 CA LEU A 114 7.479 -7.361 18.312 1.00 2.45 C ATOM 1677 C LEU A 114 9.006 -7.497 18.145 1.00 2.42 C ATOM 1678 O LEU A 114 9.702 -7.984 19.034 1.00 2.76 O ATOM 1679 CB LEU A 114 6.699 -8.236 17.300 1.00 2.37 C ATOM 1680 CG LEU A 114 6.425 -9.682 17.735 1.00 3.11 C ATOM 1681 CD1 LEU A 114 5.762 -10.433 16.581 1.00 3.07 C ATOM 1682 CD2 LEU A 114 7.701 -10.420 18.111 1.00 3.92 C ATOM 0 H LEU A 114 6.593 -5.812 17.240 1.00 2.33 H new ATOM 0 HA LEU A 114 7.260 -7.701 19.324 1.00 2.45 H new ATOM 0 HB2 LEU A 114 5.744 -7.753 17.092 1.00 2.37 H new ATOM 0 HB3 LEU A 114 7.256 -8.258 16.363 1.00 2.37 H new ATOM 0 HG LEU A 114 5.779 -9.644 18.612 1.00 3.11 H new ATOM 0 HD11 LEU A 114 5.564 -11.462 16.882 1.00 3.07 H new ATOM 0 HD12 LEU A 114 4.823 -9.944 16.320 1.00 3.07 H new ATOM 0 HD13 LEU A 114 6.425 -10.430 15.716 1.00 3.07 H new ATOM 0 HD21 LEU A 114 7.457 -11.439 18.412 1.00 3.92 H new ATOM 0 HD22 LEU A 114 8.373 -10.446 17.253 1.00 3.92 H new ATOM 0 HD23 LEU A 114 8.189 -9.905 18.938 1.00 3.92 H new ATOM 1694 N VAL A 115 9.537 -7.053 16.998 1.00 2.09 N ATOM 1695 CA VAL A 115 10.946 -7.284 16.603 1.00 2.11 C ATOM 1696 C VAL A 115 11.940 -6.589 17.543 1.00 2.51 C ATOM 1697 O VAL A 115 13.041 -7.088 17.760 1.00 2.93 O ATOM 1698 CB VAL A 115 11.163 -6.869 15.131 1.00 1.80 C ATOM 1699 CG1 VAL A 115 12.615 -7.025 14.652 1.00 2.19 C ATOM 1700 CG2 VAL A 115 10.295 -7.722 14.194 1.00 1.59 C ATOM 0 H VAL A 115 9.004 -6.520 16.310 1.00 2.09 H new ATOM 0 HA VAL A 115 11.144 -8.352 16.693 1.00 2.11 H new ATOM 0 HB VAL A 115 10.890 -5.814 15.095 1.00 1.80 H new ATOM 0 HG11 VAL A 115 12.690 -6.715 13.610 1.00 2.19 H new ATOM 0 HG12 VAL A 115 13.269 -6.403 15.264 1.00 2.19 H new ATOM 0 HG13 VAL A 115 12.918 -8.068 14.742 1.00 2.19 H new ATOM 0 HG21 VAL A 115 10.463 -7.414 13.162 1.00 1.59 H new ATOM 0 HG22 VAL A 115 10.562 -8.773 14.307 1.00 1.59 H new ATOM 0 HG23 VAL A 115 9.244 -7.585 14.447 1.00 1.59 H new ATOM 1710 N GLU A 116 11.541 -5.493 18.186 1.00 2.48 N ATOM 1711 CA GLU A 116 12.344 -4.813 19.209 1.00 2.86 C ATOM 1712 C GLU A 116 12.584 -5.684 20.461 1.00 3.45 C ATOM 1713 O GLU A 116 13.608 -5.545 21.130 1.00 3.83 O ATOM 1714 CB GLU A 116 11.583 -3.532 19.579 1.00 2.69 C ATOM 1715 CG GLU A 116 12.318 -2.566 20.513 1.00 2.86 C ATOM 1716 CD GLU A 116 11.334 -1.980 21.525 1.00 2.72 C ATOM 1717 OE1 GLU A 116 10.545 -1.076 21.151 1.00 2.80 O ATOM 1718 OE2 GLU A 116 11.327 -2.428 22.697 1.00 3.69 O ATOM 0 H GLU A 116 10.642 -5.045 18.012 1.00 2.48 H new ATOM 0 HA GLU A 116 13.336 -4.597 18.812 1.00 2.86 H new ATOM 0 HB2 GLU A 116 11.335 -3.001 18.660 1.00 2.69 H new ATOM 0 HB3 GLU A 116 10.640 -3.815 20.048 1.00 2.69 H new ATOM 0 HG2 GLU A 116 13.122 -3.088 21.033 1.00 2.86 H new ATOM 0 HG3 GLU A 116 12.779 -1.766 19.934 1.00 2.86 H new ATOM 1725 N GLU A 117 11.664 -6.588 20.817 1.00 3.58 N ATOM 1726 CA GLU A 117 11.835 -7.543 21.926 1.00 4.17 C ATOM 1727 C GLU A 117 12.771 -8.718 21.563 1.00 4.37 C ATOM 1728 O GLU A 117 13.242 -9.438 22.450 1.00 4.88 O ATOM 1729 CB GLU A 117 10.461 -8.115 22.320 1.00 4.25 C ATOM 1730 CG GLU A 117 9.387 -7.081 22.694 1.00 4.20 C ATOM 1731 CD GLU A 117 9.330 -6.821 24.200 1.00 4.99 C ATOM 1732 OE1 GLU A 117 8.740 -7.655 24.929 1.00 5.07 O ATOM 1733 OE2 GLU A 117 9.844 -5.775 24.671 1.00 6.04 O ATOM 0 H GLU A 117 10.768 -6.681 20.339 1.00 3.58 H new ATOM 0 HA GLU A 117 12.290 -6.997 22.752 1.00 4.17 H new ATOM 0 HB2 GLU A 117 10.087 -8.715 21.490 1.00 4.25 H new ATOM 0 HB3 GLU A 117 10.598 -8.790 23.165 1.00 4.25 H new ATOM 0 HG2 GLU A 117 9.590 -6.145 22.174 1.00 4.20 H new ATOM 0 HG3 GLU A 117 8.414 -7.432 22.351 1.00 4.20 H new ATOM 1740 N ALA A 118 12.978 -8.959 20.261 1.00 4.04 N ATOM 1741 CA ALA A 118 13.647 -10.144 19.721 1.00 4.25 C ATOM 1742 C ALA A 118 15.180 -10.137 19.865 1.00 4.76 C ATOM 1743 O ALA A 118 15.791 -11.207 19.952 1.00 5.53 O ATOM 1744 CB ALA A 118 13.217 -10.326 18.260 1.00 3.85 C ATOM 0 H ALA A 118 12.673 -8.312 19.534 1.00 4.04 H new ATOM 0 HA ALA A 118 13.330 -10.996 20.322 1.00 4.25 H new ATOM 0 HB1 ALA A 118 13.708 -11.206 17.843 1.00 3.85 H new ATOM 0 HB2 ALA A 118 12.136 -10.457 18.212 1.00 3.85 H new ATOM 0 HB3 ALA A 118 13.502 -9.445 17.685 1.00 3.85 H new ATOM 1750 N GLN A 119 15.806 -8.953 19.855 1.00 4.47 N ATOM 1751 CA GLN A 119 17.246 -8.760 20.084 1.00 4.92 C ATOM 1752 C GLN A 119 17.605 -8.937 21.564 1.00 5.49 C ATOM 1753 O GLN A 119 18.475 -9.781 21.877 1.00 6.44 O ATOM 1754 CB GLN A 119 17.705 -7.396 19.535 1.00 4.64 C ATOM 1755 CG GLN A 119 17.872 -7.296 18.013 1.00 4.44 C ATOM 1756 CD GLN A 119 16.596 -6.770 17.402 1.00 3.88 C ATOM 1757 OE1 GLN A 119 16.289 -5.583 17.434 1.00 4.34 O ATOM 1758 NE2 GLN A 119 15.738 -7.657 16.983 1.00 3.74 N ATOM 0 H GLN A 119 15.312 -8.078 19.683 1.00 4.47 H new ATOM 0 HA GLN A 119 17.786 -9.532 19.536 1.00 4.92 H new ATOM 0 HB2 GLN A 119 16.985 -6.641 19.850 1.00 4.64 H new ATOM 0 HB3 GLN A 119 18.657 -7.143 20.001 1.00 4.64 H new ATOM 0 HG2 GLN A 119 18.704 -6.635 17.770 1.00 4.44 H new ATOM 0 HG3 GLN A 119 18.111 -8.275 17.597 1.00 4.44 H new ATOM 0 HE21 GLN A 119 15.996 -8.644 16.957 1.00 3.74 H new ATOM 0 HE22 GLN A 119 14.809 -7.365 16.681 1.00 3.74 H new TER 1767 GLN A 119