USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 104 SER OG : rot 171:sc= -0.0463 USER MOD Set 2.2: A 126 LYS NZ :NH3+ 145:sc= -1.57 (180deg=-2.21!) USER MOD Set 3.1: A 56 SER OG : rot 80:sc= 0.794 USER MOD Set 3.2: A 85 MET CE :methyl -134:sc= -0.021 (180deg=-0.903) USER MOD Single : A 4 LYS NZ :NH3+ -109:sc= -0.117 (180deg=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -169:sc= -0.296 (180deg=-0.416) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.174 (180deg=-0.95) USER MOD Single : A 31 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.69) USER MOD Single : A 32 ASN : amide:sc= -0.509 K(o=-0.51,f=-2.1!) USER MOD Single : A 44 ASN : amide:sc= 0.793 K(o=0.79,f=-0.022) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -1.66 (180deg=-1.8) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot -61:sc= -3.3! USER MOD Single : A 59 ASN : amide:sc= -6.69! C(o=-6.7!,f=-12!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.19 F(o=-7.2!,f=-2.2) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 94:sc= 0.816 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -54:sc= 1.17 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -152:sc= -0.045 (180deg=-0.284) USER MOD Single : A 94 ASN : amide:sc= -5.47! C(o=-5.5!,f=-8.9!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 106 TYR OH : rot 180:sc= -2.03 USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.344) USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= -0.974 (180deg=-1.78!) USER MOD Single : A 121 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.7) USER MOD Single : A 122 LYS NZ :NH3+ -153:sc= -0.0468 (180deg=-0.343) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.541 -0.255 7.705 1.00 0.00 N ATOM 2 CA ALA A 2 -12.621 0.396 8.682 1.00 0.00 C ATOM 3 C ALA A 2 -12.482 1.881 8.339 1.00 0.00 C ATOM 4 O ALA A 2 -11.676 2.261 7.514 1.00 0.00 O ATOM 5 CB ALA A 2 -11.247 -0.271 8.603 1.00 0.00 C ATOM 0 HA ALA A 2 -13.024 0.290 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.571 0.202 9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.343 -1.330 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.846 -0.161 7.595 1.00 0.00 H new ATOM 11 N ASP A 3 -13.260 2.725 8.958 1.00 0.00 N ATOM 12 CA ASP A 3 -13.162 4.179 8.651 1.00 0.00 C ATOM 13 C ASP A 3 -13.560 4.405 7.193 1.00 0.00 C ATOM 14 O ASP A 3 -13.089 3.728 6.304 1.00 0.00 O ATOM 15 CB ASP A 3 -11.720 4.648 8.865 1.00 0.00 C ATOM 16 CG ASP A 3 -11.070 3.813 9.970 1.00 0.00 C ATOM 17 OD1 ASP A 3 -11.683 3.670 11.015 1.00 0.00 O ATOM 18 OD2 ASP A 3 -9.971 3.333 9.752 1.00 0.00 O ATOM 0 H ASP A 3 -13.956 2.472 9.660 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.826 4.742 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.153 4.550 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.706 5.704 9.136 1.00 0.00 H new ATOM 23 N LYS A 4 -14.430 5.340 6.933 1.00 0.00 N ATOM 24 CA LYS A 4 -14.847 5.588 5.523 1.00 0.00 C ATOM 25 C LYS A 4 -13.932 6.635 4.883 1.00 0.00 C ATOM 26 O LYS A 4 -14.194 7.096 3.790 1.00 0.00 O ATOM 27 CB LYS A 4 -16.288 6.102 5.485 1.00 0.00 C ATOM 28 CG LYS A 4 -17.224 5.088 6.149 1.00 0.00 C ATOM 29 CD LYS A 4 -17.693 4.066 5.110 1.00 0.00 C ATOM 30 CE LYS A 4 -18.969 4.569 4.433 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.332 3.654 3.314 1.00 0.00 N ATOM 0 H LYS A 4 -14.869 5.941 7.631 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.777 4.651 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.354 7.061 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.595 6.271 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.708 4.582 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.082 5.600 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.913 3.906 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.878 3.105 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.783 4.616 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.819 5.580 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.161 4.131 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.751 2.793 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.337 3.398 3.387 1.00 0.00 H new ATOM 45 N GLU A 5 -12.876 7.033 5.547 1.00 0.00 N ATOM 46 CA GLU A 5 -11.982 8.071 4.949 1.00 0.00 C ATOM 47 C GLU A 5 -10.520 7.838 5.344 1.00 0.00 C ATOM 48 O GLU A 5 -9.821 8.767 5.699 1.00 0.00 O ATOM 49 CB GLU A 5 -12.410 9.459 5.437 1.00 0.00 C ATOM 50 CG GLU A 5 -13.937 9.561 5.455 1.00 0.00 C ATOM 51 CD GLU A 5 -14.348 10.982 5.845 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.478 11.837 5.892 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.524 11.192 6.093 1.00 0.00 O ATOM 0 H GLU A 5 -12.597 6.689 6.466 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.067 8.005 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.014 9.640 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.994 10.227 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.341 9.310 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.352 8.844 6.163 1.00 0.00 H new ATOM 60 N LEU A 6 -10.031 6.629 5.267 1.00 0.00 N ATOM 61 CA LEU A 6 -8.611 6.400 5.617 1.00 0.00 C ATOM 62 C LEU A 6 -7.765 6.856 4.422 1.00 0.00 C ATOM 63 O LEU A 6 -8.135 6.652 3.285 1.00 0.00 O ATOM 64 CB LEU A 6 -8.402 4.915 5.929 1.00 0.00 C ATOM 65 CG LEU A 6 -6.945 4.636 6.316 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.560 5.473 7.534 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.801 3.155 6.664 1.00 0.00 C ATOM 0 H LEU A 6 -10.552 5.801 4.979 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.316 6.964 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.062 4.614 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.673 4.315 5.060 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.293 4.894 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.524 5.269 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.672 6.531 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.209 5.217 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.768 2.945 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.457 2.912 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.075 2.550 5.800 1.00 0.00 H new ATOM 79 N LYS A 7 -6.667 7.521 4.662 1.00 0.00 N ATOM 80 CA LYS A 7 -5.845 8.041 3.526 1.00 0.00 C ATOM 81 C LYS A 7 -4.974 6.946 2.900 1.00 0.00 C ATOM 82 O LYS A 7 -4.155 6.329 3.561 1.00 0.00 O ATOM 83 CB LYS A 7 -4.946 9.165 4.039 1.00 0.00 C ATOM 84 CG LYS A 7 -5.734 10.479 4.058 1.00 0.00 C ATOM 85 CD LYS A 7 -5.133 11.439 5.094 1.00 0.00 C ATOM 86 CE LYS A 7 -5.367 10.908 6.515 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.907 12.002 7.370 1.00 0.00 N ATOM 0 H LYS A 7 -6.303 7.727 5.592 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.525 8.407 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.586 8.929 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.068 9.264 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.714 10.939 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.779 10.282 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.064 11.556 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.584 12.426 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.065 10.071 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.433 10.532 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.066 11.643 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.226 12.787 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.807 12.340 6.974 1.00 0.00 H new ATOM 101 N PHE A 8 -5.134 6.725 1.613 1.00 0.00 N ATOM 102 CA PHE A 8 -4.318 5.706 0.905 1.00 0.00 C ATOM 103 C PHE A 8 -3.389 6.401 -0.081 1.00 0.00 C ATOM 104 O PHE A 8 -3.730 7.421 -0.643 1.00 0.00 O ATOM 105 CB PHE A 8 -5.224 4.792 0.080 1.00 0.00 C ATOM 106 CG PHE A 8 -6.100 3.959 0.975 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.243 4.520 1.540 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.773 2.625 1.229 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.063 3.750 2.365 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.595 1.849 2.057 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.741 2.414 2.625 1.00 0.00 C ATOM 0 H PHE A 8 -5.806 7.218 1.024 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.761 5.136 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.844 5.392 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.616 4.142 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.494 5.551 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.887 2.192 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.948 4.186 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.344 0.818 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.377 1.819 3.264 1.00 0.00 H new ATOM 121 N LEU A 9 -2.240 5.833 -0.329 1.00 0.00 N ATOM 122 CA LEU A 9 -1.309 6.430 -1.332 1.00 0.00 C ATOM 123 C LEU A 9 -0.971 5.354 -2.364 1.00 0.00 C ATOM 124 O LEU A 9 -0.246 4.419 -2.087 1.00 0.00 O ATOM 125 CB LEU A 9 -0.032 6.932 -0.651 1.00 0.00 C ATOM 126 CG LEU A 9 0.998 7.347 -1.711 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.365 8.333 -2.695 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.188 8.014 -1.027 1.00 0.00 C ATOM 0 H LEU A 9 -1.905 4.981 0.120 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.783 7.283 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.263 7.779 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.383 6.150 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 9 1.331 6.461 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.102 8.623 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.486 7.861 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.027 9.218 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.921 8.309 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.848 8.896 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.646 7.313 -0.329 1.00 0.00 H new ATOM 140 N VAL A 10 -1.504 5.470 -3.550 1.00 0.00 N ATOM 141 CA VAL A 10 -1.231 4.443 -4.596 1.00 0.00 C ATOM 142 C VAL A 10 0.005 4.841 -5.410 1.00 0.00 C ATOM 143 O VAL A 10 0.123 5.958 -5.866 1.00 0.00 O ATOM 144 CB VAL A 10 -2.447 4.336 -5.521 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.793 2.864 -5.742 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.647 5.040 -4.879 1.00 0.00 C ATOM 0 H VAL A 10 -2.117 6.232 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.044 3.480 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.213 4.808 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.658 2.789 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.944 2.355 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.024 2.397 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.511 4.962 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.877 4.568 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.408 6.091 -4.717 1.00 0.00 H new ATOM 156 N VAL A 11 0.925 3.925 -5.599 1.00 0.00 N ATOM 157 CA VAL A 11 2.150 4.232 -6.383 1.00 0.00 C ATOM 158 C VAL A 11 2.475 3.046 -7.295 1.00 0.00 C ATOM 159 O VAL A 11 3.621 2.697 -7.493 1.00 0.00 O ATOM 160 CB VAL A 11 3.328 4.485 -5.431 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.510 5.105 -6.189 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.891 5.436 -4.316 1.00 0.00 C ATOM 0 H VAL A 11 0.874 2.972 -5.238 1.00 0.00 H new ATOM 0 HA VAL A 11 1.980 5.124 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 11 3.641 3.532 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.335 5.277 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.833 4.426 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.202 6.053 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.728 5.615 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.567 6.382 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.066 4.990 -3.760 1.00 0.00 H new ATOM 172 N ASP A 12 1.474 2.422 -7.852 1.00 0.00 N ATOM 173 CA ASP A 12 1.730 1.261 -8.750 1.00 0.00 C ATOM 174 C ASP A 12 2.224 1.768 -10.106 1.00 0.00 C ATOM 175 O ASP A 12 2.108 1.093 -11.110 1.00 0.00 O ATOM 176 CB ASP A 12 0.435 0.472 -8.944 1.00 0.00 C ATOM 177 CG ASP A 12 0.690 -1.009 -8.654 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.137 -1.701 -9.553 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.432 -1.426 -7.536 1.00 0.00 O ATOM 0 H ASP A 12 0.492 2.665 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 12 2.486 0.615 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.340 0.855 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.071 0.596 -9.964 1.00 0.00 H new ATOM 184 N ASP A 13 2.770 2.952 -10.145 1.00 0.00 N ATOM 185 CA ASP A 13 3.267 3.498 -11.438 1.00 0.00 C ATOM 186 C ASP A 13 2.191 3.307 -12.510 1.00 0.00 C ATOM 187 O ASP A 13 1.066 3.737 -12.354 1.00 0.00 O ATOM 188 CB ASP A 13 4.538 2.754 -11.851 1.00 0.00 C ATOM 189 CG ASP A 13 5.501 2.688 -10.664 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.058 2.320 -9.588 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.664 3.006 -10.850 1.00 0.00 O ATOM 0 H ASP A 13 2.893 3.564 -9.338 1.00 0.00 H new ATOM 0 HA ASP A 13 3.490 4.559 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.290 1.747 -12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.013 3.262 -12.690 1.00 0.00 H new ATOM 196 N PHE A 14 2.526 2.659 -13.592 1.00 0.00 N ATOM 197 CA PHE A 14 1.522 2.435 -14.669 1.00 0.00 C ATOM 198 C PHE A 14 0.777 3.741 -14.957 1.00 0.00 C ATOM 199 O PHE A 14 1.161 4.798 -14.497 1.00 0.00 O ATOM 200 CB PHE A 14 0.525 1.362 -14.221 1.00 0.00 C ATOM 201 CG PHE A 14 0.611 0.176 -15.153 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.329 0.336 -16.515 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.976 -1.083 -14.657 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.410 -0.761 -17.381 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.057 -2.180 -15.525 1.00 0.00 C ATOM 206 CZ PHE A 14 0.774 -2.018 -16.885 1.00 0.00 C ATOM 0 H PHE A 14 3.453 2.275 -13.776 1.00 0.00 H new ATOM 0 HA PHE A 14 2.029 2.103 -15.575 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.743 1.052 -13.199 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.487 1.767 -14.223 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.049 1.306 -16.898 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.195 -1.208 -13.607 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.192 -0.637 -18.431 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.338 -3.151 -15.144 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.836 -2.864 -17.553 1.00 0.00 H new ATOM 216 N SER A 15 -0.286 3.671 -15.714 1.00 0.00 N ATOM 217 CA SER A 15 -1.067 4.901 -16.037 1.00 0.00 C ATOM 218 C SER A 15 -2.560 4.574 -15.979 1.00 0.00 C ATOM 219 O SER A 15 -3.398 5.453 -16.035 1.00 0.00 O ATOM 220 CB SER A 15 -0.704 5.383 -17.441 1.00 0.00 C ATOM 221 OG SER A 15 -0.707 6.805 -17.464 1.00 0.00 O ATOM 0 H SER A 15 -0.649 2.810 -16.124 1.00 0.00 H new ATOM 0 HA SER A 15 -0.833 5.685 -15.316 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.278 5.005 -17.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.418 4.994 -18.167 1.00 0.00 H new ATOM 0 HG SER A 15 -0.473 7.118 -18.363 1.00 0.00 H new ATOM 227 N THR A 16 -2.889 3.314 -15.863 1.00 0.00 N ATOM 228 CA THR A 16 -4.322 2.902 -15.794 1.00 0.00 C ATOM 229 C THR A 16 -4.526 2.017 -14.564 1.00 0.00 C ATOM 230 O THR A 16 -5.638 1.762 -14.146 1.00 0.00 O ATOM 231 CB THR A 16 -4.687 2.114 -17.055 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.179 0.834 -16.686 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.446 1.952 -17.936 1.00 0.00 C ATOM 0 H THR A 16 -2.220 2.546 -15.813 1.00 0.00 H new ATOM 0 HA THR A 16 -4.957 3.785 -15.723 1.00 0.00 H new ATOM 0 HB THR A 16 -5.455 2.652 -17.610 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.415 0.329 -17.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.707 1.391 -18.833 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.070 2.935 -18.220 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.675 1.414 -17.384 1.00 0.00 H new ATOM 241 N MET A 17 -3.457 1.548 -13.980 1.00 0.00 N ATOM 242 CA MET A 17 -3.582 0.681 -12.774 1.00 0.00 C ATOM 243 C MET A 17 -4.202 1.484 -11.631 1.00 0.00 C ATOM 244 O MET A 17 -5.140 1.051 -10.992 1.00 0.00 O ATOM 245 CB MET A 17 -2.195 0.191 -12.355 1.00 0.00 C ATOM 246 CG MET A 17 -2.314 -0.644 -11.080 1.00 0.00 C ATOM 247 SD MET A 17 -1.070 -1.957 -11.097 1.00 0.00 S ATOM 248 CE MET A 17 -1.720 -2.902 -9.697 1.00 0.00 C ATOM 0 H MET A 17 -2.501 1.728 -14.287 1.00 0.00 H new ATOM 0 HA MET A 17 -4.218 -0.174 -13.005 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.752 -0.405 -13.153 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.533 1.040 -12.186 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.177 -0.010 -10.204 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.312 -1.076 -11.008 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.994 -3.659 -9.401 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.906 -2.230 -8.859 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.652 -3.387 -9.987 1.00 0.00 H new ATOM 258 N ARG A 18 -3.683 2.651 -11.368 1.00 0.00 N ATOM 259 CA ARG A 18 -4.237 3.489 -10.267 1.00 0.00 C ATOM 260 C ARG A 18 -5.759 3.513 -10.358 1.00 0.00 C ATOM 261 O ARG A 18 -6.456 3.379 -9.372 1.00 0.00 O ATOM 262 CB ARG A 18 -3.724 4.922 -10.402 1.00 0.00 C ATOM 263 CG ARG A 18 -2.649 4.987 -11.491 1.00 0.00 C ATOM 264 CD ARG A 18 -2.101 6.413 -11.596 1.00 0.00 C ATOM 265 NE ARG A 18 -2.631 7.060 -12.830 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.848 7.531 -12.852 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.846 6.746 -13.152 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.066 8.788 -12.577 1.00 0.00 N ATOM 0 H ARG A 18 -2.896 3.062 -11.870 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.924 3.068 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.548 5.591 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.313 5.262 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.841 4.293 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.069 4.678 -12.448 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.389 6.990 -10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.011 6.394 -11.622 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.041 7.135 -13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.675 5.764 -13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.797 7.114 -13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.285 9.402 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.017 9.156 -12.594 1.00 0.00 H new ATOM 282 N ARG A 19 -6.277 3.708 -11.534 1.00 0.00 N ATOM 283 CA ARG A 19 -7.751 3.771 -11.698 1.00 0.00 C ATOM 284 C ARG A 19 -8.409 2.539 -11.065 1.00 0.00 C ATOM 285 O ARG A 19 -9.353 2.648 -10.308 1.00 0.00 O ATOM 286 CB ARG A 19 -8.097 3.824 -13.187 1.00 0.00 C ATOM 287 CG ARG A 19 -9.605 4.014 -13.355 1.00 0.00 C ATOM 288 CD ARG A 19 -10.183 2.835 -14.139 1.00 0.00 C ATOM 289 NE ARG A 19 -9.521 2.753 -15.471 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.679 1.692 -16.215 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.796 0.517 -15.658 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.717 1.805 -17.514 1.00 0.00 N ATOM 0 H ARG A 19 -5.740 3.827 -12.393 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.124 4.667 -11.201 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.561 4.643 -13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.779 2.904 -13.678 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.084 4.085 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.809 4.948 -13.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.030 1.907 -13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.259 2.959 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.944 3.526 -15.802 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.764 0.429 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.920 -0.313 -16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.623 2.723 -17.949 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.840 0.976 -18.095 1.00 0.00 H new ATOM 306 N ILE A 20 -7.929 1.369 -11.381 1.00 0.00 N ATOM 307 CA ILE A 20 -8.536 0.131 -10.810 1.00 0.00 C ATOM 308 C ILE A 20 -8.665 0.258 -9.289 1.00 0.00 C ATOM 309 O ILE A 20 -9.730 0.085 -8.731 1.00 0.00 O ATOM 310 CB ILE A 20 -7.645 -1.074 -11.163 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.177 -1.735 -12.436 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.647 -2.106 -10.023 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.131 -2.709 -12.981 1.00 0.00 C ATOM 0 H ILE A 20 -7.142 1.215 -12.011 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.531 -0.012 -11.231 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.625 -0.722 -11.315 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.106 -2.264 -12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.407 -0.976 -13.184 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.011 -2.949 -10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.267 -1.643 -9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.664 -2.459 -9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.510 -3.180 -13.888 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.213 -2.167 -13.210 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.923 -3.475 -12.234 1.00 0.00 H new ATOM 325 N VAL A 21 -7.585 0.528 -8.613 1.00 0.00 N ATOM 326 CA VAL A 21 -7.644 0.630 -7.125 1.00 0.00 C ATOM 327 C VAL A 21 -8.492 1.830 -6.693 1.00 0.00 C ATOM 328 O VAL A 21 -9.221 1.763 -5.723 1.00 0.00 O ATOM 329 CB VAL A 21 -6.231 0.767 -6.559 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.982 -0.362 -5.561 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.207 0.671 -7.692 1.00 0.00 C ATOM 0 H VAL A 21 -6.664 0.683 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.107 -0.277 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.131 1.733 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.975 -0.271 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.709 -0.299 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.083 -1.323 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.201 0.769 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.304 -0.294 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.385 1.469 -8.412 1.00 0.00 H new ATOM 341 N ARG A 22 -8.406 2.928 -7.393 1.00 0.00 N ATOM 342 CA ARG A 22 -9.212 4.122 -7.005 1.00 0.00 C ATOM 343 C ARG A 22 -10.658 3.699 -6.742 1.00 0.00 C ATOM 344 O ARG A 22 -11.193 3.895 -5.668 1.00 0.00 O ATOM 345 CB ARG A 22 -9.191 5.134 -8.149 1.00 0.00 C ATOM 346 CG ARG A 22 -8.087 6.169 -7.911 1.00 0.00 C ATOM 347 CD ARG A 22 -8.560 7.211 -6.895 1.00 0.00 C ATOM 348 NE ARG A 22 -8.996 8.446 -7.609 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.251 9.532 -6.932 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.455 9.752 -6.480 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.302 10.399 -6.705 1.00 0.00 N ATOM 0 H ARG A 22 -7.814 3.051 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.791 4.568 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.023 4.621 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.158 5.632 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.186 5.675 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.825 6.657 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.384 6.810 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.755 7.446 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.095 8.442 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.197 9.075 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.654 10.601 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.360 10.228 -7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.502 11.248 -6.176 1.00 0.00 H new ATOM 365 N ASN A 23 -11.289 3.118 -7.722 1.00 0.00 N ATOM 366 CA ASN A 23 -12.688 2.668 -7.573 1.00 0.00 C ATOM 367 C ASN A 23 -12.766 1.603 -6.490 1.00 0.00 C ATOM 368 O ASN A 23 -13.519 1.708 -5.541 1.00 0.00 O ATOM 369 CB ASN A 23 -13.088 2.039 -8.892 1.00 0.00 C ATOM 370 CG ASN A 23 -14.461 2.550 -9.327 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.414 1.798 -9.382 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.606 3.808 -9.641 1.00 0.00 N ATOM 0 H ASN A 23 -10.879 2.935 -8.638 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.338 3.502 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.346 2.274 -9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.111 0.954 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.518 4.159 -9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.807 4.440 -9.595 1.00 0.00 H new ATOM 379 N LEU A 24 -11.990 0.572 -6.654 1.00 0.00 N ATOM 380 CA LEU A 24 -11.975 -0.548 -5.674 1.00 0.00 C ATOM 381 C LEU A 24 -12.063 0.013 -4.251 1.00 0.00 C ATOM 382 O LEU A 24 -12.870 -0.422 -3.454 1.00 0.00 O ATOM 383 CB LEU A 24 -10.661 -1.312 -5.864 1.00 0.00 C ATOM 384 CG LEU A 24 -10.758 -2.753 -5.308 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.624 -3.768 -6.453 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.638 -3.019 -4.291 1.00 0.00 C ATOM 0 H LEU A 24 -11.352 0.455 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.824 -1.214 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.408 -1.346 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.854 -0.780 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.727 -2.860 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.693 -4.779 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.424 -3.608 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.660 -3.638 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.725 -4.037 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.670 -2.893 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.724 -2.316 -3.463 1.00 0.00 H new ATOM 398 N LEU A 25 -11.258 0.992 -3.931 1.00 0.00 N ATOM 399 CA LEU A 25 -11.325 1.592 -2.567 1.00 0.00 C ATOM 400 C LEU A 25 -12.690 2.256 -2.399 1.00 0.00 C ATOM 401 O LEU A 25 -13.382 2.039 -1.425 1.00 0.00 O ATOM 402 CB LEU A 25 -10.225 2.647 -2.411 1.00 0.00 C ATOM 403 CG LEU A 25 -8.903 1.977 -2.011 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.779 3.013 -2.059 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.998 1.405 -0.590 1.00 0.00 C ATOM 0 H LEU A 25 -10.560 1.400 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.184 0.818 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.097 3.191 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.515 3.377 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.697 1.164 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.838 2.542 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.695 3.412 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.002 3.824 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.052 0.934 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.213 2.210 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.797 0.664 -0.549 1.00 0.00 H new ATOM 417 N LYS A 26 -13.087 3.059 -3.348 1.00 0.00 N ATOM 418 CA LYS A 26 -14.409 3.727 -3.247 1.00 0.00 C ATOM 419 C LYS A 26 -15.464 2.681 -2.895 1.00 0.00 C ATOM 420 O LYS A 26 -16.366 2.931 -2.118 1.00 0.00 O ATOM 421 CB LYS A 26 -14.759 4.384 -4.586 1.00 0.00 C ATOM 422 CG LYS A 26 -16.073 5.159 -4.449 1.00 0.00 C ATOM 423 CD LYS A 26 -15.851 6.616 -4.862 1.00 0.00 C ATOM 424 CE LYS A 26 -17.163 7.392 -4.729 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.261 6.629 -5.387 1.00 0.00 N ATOM 0 H LYS A 26 -12.551 3.279 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.377 4.495 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.958 5.057 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.852 3.624 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.842 4.706 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.430 5.112 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.083 7.069 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.492 6.663 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.398 7.553 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.064 8.376 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.044 7.275 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.905 6.193 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.602 5.886 -4.744 1.00 0.00 H new ATOM 439 N GLU A 27 -15.358 1.506 -3.453 1.00 0.00 N ATOM 440 CA GLU A 27 -16.349 0.447 -3.142 1.00 0.00 C ATOM 441 C GLU A 27 -16.322 0.173 -1.638 1.00 0.00 C ATOM 442 O GLU A 27 -17.333 -0.107 -1.026 1.00 0.00 O ATOM 443 CB GLU A 27 -15.993 -0.831 -3.903 1.00 0.00 C ATOM 444 CG GLU A 27 -17.261 -1.656 -4.137 1.00 0.00 C ATOM 445 CD GLU A 27 -17.891 -2.019 -2.792 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.409 -2.949 -2.167 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.845 -1.361 -2.409 1.00 0.00 O ATOM 0 H GLU A 27 -14.626 1.237 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.345 0.773 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.528 -0.581 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.267 -1.414 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.970 -1.089 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.020 -2.562 -4.694 1.00 0.00 H new ATOM 454 N LEU A 28 -15.166 0.260 -1.040 1.00 0.00 N ATOM 455 CA LEU A 28 -15.058 0.014 0.425 1.00 0.00 C ATOM 456 C LEU A 28 -15.611 1.226 1.177 1.00 0.00 C ATOM 457 O LEU A 28 -15.694 1.235 2.389 1.00 0.00 O ATOM 458 CB LEU A 28 -13.587 -0.192 0.800 1.00 0.00 C ATOM 459 CG LEU A 28 -13.276 -1.688 0.918 1.00 0.00 C ATOM 460 CD1 LEU A 28 -11.779 -1.912 0.700 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.661 -2.185 2.313 1.00 0.00 C ATOM 0 H LEU A 28 -14.288 0.492 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.627 -0.876 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.945 0.262 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.371 0.307 1.745 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.845 -2.236 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.554 -2.975 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.499 -1.559 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.215 -1.362 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.439 -3.249 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.092 -1.637 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.727 -2.023 2.476 1.00 0.00 H new ATOM 473 N GLY A 29 -15.997 2.249 0.463 1.00 0.00 N ATOM 474 CA GLY A 29 -16.551 3.455 1.122 1.00 0.00 C ATOM 475 C GLY A 29 -15.418 4.395 1.541 1.00 0.00 C ATOM 476 O GLY A 29 -15.512 5.079 2.541 1.00 0.00 O ATOM 0 H GLY A 29 -15.950 2.296 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.229 3.971 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.135 3.165 1.996 1.00 0.00 H new ATOM 480 N PHE A 30 -14.352 4.438 0.781 1.00 0.00 N ATOM 481 CA PHE A 30 -13.212 5.341 1.127 1.00 0.00 C ATOM 482 C PHE A 30 -13.215 6.545 0.179 1.00 0.00 C ATOM 483 O PHE A 30 -13.521 6.419 -0.990 1.00 0.00 O ATOM 484 CB PHE A 30 -11.887 4.584 0.976 1.00 0.00 C ATOM 485 CG PHE A 30 -11.617 3.765 2.214 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.398 4.407 3.435 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.573 2.367 2.138 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.130 3.653 4.582 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.308 1.612 3.287 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.086 2.255 4.508 1.00 0.00 C ATOM 0 H PHE A 30 -14.222 3.885 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.320 5.680 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.927 3.934 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.072 5.289 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.436 5.485 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.743 1.872 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.957 4.149 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.275 0.534 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.880 1.674 5.395 1.00 0.00 H new ATOM 500 N ASN A 31 -12.881 7.710 0.674 1.00 0.00 N ATOM 501 CA ASN A 31 -12.870 8.918 -0.196 1.00 0.00 C ATOM 502 C ASN A 31 -11.675 9.812 0.183 1.00 0.00 C ATOM 503 O ASN A 31 -11.832 10.936 0.617 1.00 0.00 O ATOM 504 CB ASN A 31 -14.186 9.675 0.005 1.00 0.00 C ATOM 505 CG ASN A 31 -15.180 9.273 -1.088 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.833 9.220 -2.251 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.411 8.987 -0.760 1.00 0.00 N ATOM 0 H ASN A 31 -12.616 7.874 1.645 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.771 8.631 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.600 9.451 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.008 10.750 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.082 8.719 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.702 9.032 0.217 1.00 0.00 H new ATOM 514 N ASN A 32 -10.477 9.317 0.019 1.00 0.00 N ATOM 515 CA ASN A 32 -9.272 10.132 0.363 1.00 0.00 C ATOM 516 C ASN A 32 -8.012 9.385 -0.086 1.00 0.00 C ATOM 517 O ASN A 32 -7.485 8.555 0.628 1.00 0.00 O ATOM 518 CB ASN A 32 -9.217 10.360 1.877 1.00 0.00 C ATOM 519 CG ASN A 32 -8.395 11.617 2.174 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.797 12.189 1.284 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.340 12.072 3.395 1.00 0.00 N ATOM 0 H ASN A 32 -10.279 8.382 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.329 11.095 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.225 10.469 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.771 9.496 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.795 12.908 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.842 11.591 4.141 1.00 0.00 H new ATOM 528 N VAL A 33 -7.530 9.660 -1.269 1.00 0.00 N ATOM 529 CA VAL A 33 -6.313 8.946 -1.752 1.00 0.00 C ATOM 530 C VAL A 33 -5.515 9.842 -2.705 1.00 0.00 C ATOM 531 O VAL A 33 -6.070 10.669 -3.400 1.00 0.00 O ATOM 532 CB VAL A 33 -6.742 7.676 -2.492 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.903 7.995 -3.432 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.567 7.130 -3.308 1.00 0.00 C ATOM 0 H VAL A 33 -7.923 10.343 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.685 8.690 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.057 6.929 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.206 7.089 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.744 8.378 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.589 8.746 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.877 6.226 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.248 7.879 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.738 6.895 -2.640 1.00 0.00 H new ATOM 544 N GLU A 34 -4.216 9.660 -2.755 1.00 0.00 N ATOM 545 CA GLU A 34 -3.368 10.470 -3.675 1.00 0.00 C ATOM 546 C GLU A 34 -2.563 9.506 -4.541 1.00 0.00 C ATOM 547 O GLU A 34 -2.812 8.317 -4.538 1.00 0.00 O ATOM 548 CB GLU A 34 -2.427 11.361 -2.865 1.00 0.00 C ATOM 549 CG GLU A 34 -3.250 12.339 -2.018 1.00 0.00 C ATOM 550 CD GLU A 34 -2.516 13.679 -1.926 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.204 14.233 -2.967 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.280 14.127 -0.816 1.00 0.00 O ATOM 0 H GLU A 34 -3.707 8.979 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.989 11.110 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.794 10.750 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.765 11.911 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.235 12.482 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.407 11.929 -1.020 1.00 0.00 H new ATOM 559 N GLU A 35 -1.614 9.992 -5.290 1.00 0.00 N ATOM 560 CA GLU A 35 -0.826 9.072 -6.160 1.00 0.00 C ATOM 561 C GLU A 35 0.615 9.559 -6.305 1.00 0.00 C ATOM 562 O GLU A 35 0.918 10.723 -6.128 1.00 0.00 O ATOM 563 CB GLU A 35 -1.474 9.010 -7.546 1.00 0.00 C ATOM 564 CG GLU A 35 -2.946 8.612 -7.414 1.00 0.00 C ATOM 565 CD GLU A 35 -3.523 8.315 -8.797 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.136 8.992 -9.736 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.341 7.416 -8.896 1.00 0.00 O ATOM 0 H GLU A 35 -1.350 10.976 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.817 8.084 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.393 9.979 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.948 8.289 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.040 7.735 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.509 9.415 -6.939 1.00 0.00 H new ATOM 574 N ALA A 36 1.501 8.661 -6.643 1.00 0.00 N ATOM 575 CA ALA A 36 2.931 9.028 -6.827 1.00 0.00 C ATOM 576 C ALA A 36 3.466 8.278 -8.047 1.00 0.00 C ATOM 577 O ALA A 36 2.706 7.718 -8.813 1.00 0.00 O ATOM 578 CB ALA A 36 3.730 8.633 -5.583 1.00 0.00 C ATOM 0 H ALA A 36 1.289 7.676 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 36 3.027 10.103 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.777 8.903 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.332 9.157 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.651 7.557 -5.426 1.00 0.00 H new ATOM 584 N GLU A 37 4.757 8.267 -8.236 1.00 0.00 N ATOM 585 CA GLU A 37 5.335 7.554 -9.415 1.00 0.00 C ATOM 586 C GLU A 37 6.546 6.720 -8.987 1.00 0.00 C ATOM 587 O GLU A 37 7.201 6.107 -9.805 1.00 0.00 O ATOM 588 CB GLU A 37 5.773 8.577 -10.466 1.00 0.00 C ATOM 589 CG GLU A 37 4.584 9.462 -10.845 1.00 0.00 C ATOM 590 CD GLU A 37 4.588 9.702 -12.356 1.00 0.00 C ATOM 591 OE1 GLU A 37 4.623 8.728 -13.090 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.555 10.855 -12.752 1.00 0.00 O ATOM 0 H GLU A 37 5.438 8.720 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 37 4.576 6.893 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.586 9.190 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.155 8.065 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.651 8.985 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.641 10.413 -10.315 1.00 0.00 H new ATOM 599 N ASP A 38 6.851 6.685 -7.716 1.00 0.00 N ATOM 600 CA ASP A 38 8.022 5.882 -7.260 1.00 0.00 C ATOM 601 C ASP A 38 8.272 6.137 -5.776 1.00 0.00 C ATOM 602 O ASP A 38 7.574 6.902 -5.140 1.00 0.00 O ATOM 603 CB ASP A 38 9.268 6.285 -8.056 1.00 0.00 C ATOM 604 CG ASP A 38 9.170 7.760 -8.452 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.511 8.597 -7.631 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.755 8.028 -9.567 1.00 0.00 O ATOM 0 H ASP A 38 6.343 7.174 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 38 7.813 4.824 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.164 6.117 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.359 5.664 -8.947 1.00 0.00 H new ATOM 611 N GLY A 39 9.269 5.506 -5.218 1.00 0.00 N ATOM 612 CA GLY A 39 9.567 5.717 -3.776 1.00 0.00 C ATOM 613 C GLY A 39 9.969 7.175 -3.556 1.00 0.00 C ATOM 614 O GLY A 39 9.567 7.801 -2.596 1.00 0.00 O ATOM 0 H GLY A 39 9.889 4.854 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.693 5.473 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.371 5.053 -3.457 1.00 0.00 H new ATOM 618 N VAL A 40 10.755 7.721 -4.441 1.00 0.00 N ATOM 619 CA VAL A 40 11.179 9.140 -4.284 1.00 0.00 C ATOM 620 C VAL A 40 9.944 10.041 -4.294 1.00 0.00 C ATOM 621 O VAL A 40 9.849 10.993 -3.543 1.00 0.00 O ATOM 622 CB VAL A 40 12.102 9.529 -5.440 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.106 10.579 -4.961 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.855 8.290 -5.930 1.00 0.00 C ATOM 0 H VAL A 40 11.122 7.246 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 40 11.711 9.259 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 40 11.508 9.940 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.764 10.856 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.570 11.462 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.700 10.168 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.513 8.566 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.449 7.879 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.140 7.541 -6.272 1.00 0.00 H new ATOM 634 N ASP A 41 8.994 9.744 -5.136 1.00 0.00 N ATOM 635 CA ASP A 41 7.765 10.576 -5.196 1.00 0.00 C ATOM 636 C ASP A 41 6.925 10.316 -3.947 1.00 0.00 C ATOM 637 O ASP A 41 6.452 11.228 -3.303 1.00 0.00 O ATOM 638 CB ASP A 41 6.966 10.192 -6.437 1.00 0.00 C ATOM 639 CG ASP A 41 6.028 11.338 -6.820 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.041 11.526 -6.130 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.314 12.009 -7.799 1.00 0.00 O ATOM 0 H ASP A 41 9.018 8.958 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 41 8.030 11.632 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.642 9.971 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.390 9.286 -6.245 1.00 0.00 H new ATOM 646 N ALA A 42 6.741 9.073 -3.603 1.00 0.00 N ATOM 647 CA ALA A 42 5.934 8.744 -2.396 1.00 0.00 C ATOM 648 C ALA A 42 6.565 9.394 -1.162 1.00 0.00 C ATOM 649 O ALA A 42 5.932 10.155 -0.459 1.00 0.00 O ATOM 650 CB ALA A 42 5.901 7.226 -2.212 1.00 0.00 C ATOM 0 H ALA A 42 7.115 8.269 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 42 4.919 9.121 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.311 6.979 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.451 6.763 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.917 6.853 -2.085 1.00 0.00 H new ATOM 656 N LEU A 43 7.808 9.096 -0.893 1.00 0.00 N ATOM 657 CA LEU A 43 8.479 9.695 0.297 1.00 0.00 C ATOM 658 C LEU A 43 8.197 11.197 0.344 1.00 0.00 C ATOM 659 O LEU A 43 7.836 11.738 1.370 1.00 0.00 O ATOM 660 CB LEU A 43 9.991 9.468 0.202 1.00 0.00 C ATOM 661 CG LEU A 43 10.419 8.399 1.209 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.834 7.922 0.876 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.403 8.992 2.620 1.00 0.00 C ATOM 0 H LEU A 43 8.387 8.464 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 43 8.094 9.223 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.259 9.157 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.521 10.400 0.400 1.00 0.00 H new ATOM 0 HG LEU A 43 9.729 7.557 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.139 7.160 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.849 7.501 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.523 8.765 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.708 8.231 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.093 9.834 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.396 9.334 2.859 1.00 0.00 H new ATOM 675 N ASN A 44 8.366 11.878 -0.757 1.00 0.00 N ATOM 676 CA ASN A 44 8.113 13.346 -0.767 1.00 0.00 C ATOM 677 C ASN A 44 6.615 13.619 -0.610 1.00 0.00 C ATOM 678 O ASN A 44 6.213 14.569 0.032 1.00 0.00 O ATOM 679 CB ASN A 44 8.604 13.937 -2.090 1.00 0.00 C ATOM 680 CG ASN A 44 10.114 14.168 -2.018 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.578 14.990 -1.253 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.906 13.472 -2.787 1.00 0.00 N ATOM 0 H ASN A 44 8.668 11.482 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 44 8.649 13.808 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.368 13.261 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.091 14.877 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.915 13.618 -2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.516 12.782 -3.429 1.00 0.00 H new ATOM 689 N LYS A 45 5.788 12.802 -1.198 1.00 0.00 N ATOM 690 CA LYS A 45 4.317 13.023 -1.086 1.00 0.00 C ATOM 691 C LYS A 45 3.764 12.286 0.138 1.00 0.00 C ATOM 692 O LYS A 45 2.568 12.188 0.319 1.00 0.00 O ATOM 693 CB LYS A 45 3.623 12.508 -2.349 1.00 0.00 C ATOM 694 CG LYS A 45 2.657 13.574 -2.876 1.00 0.00 C ATOM 695 CD LYS A 45 3.453 14.722 -3.502 1.00 0.00 C ATOM 696 CE LYS A 45 2.903 16.060 -3.001 1.00 0.00 C ATOM 697 NZ LYS A 45 3.307 16.265 -1.582 1.00 0.00 N ATOM 0 H LYS A 45 6.065 11.991 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 45 4.127 14.090 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.364 12.266 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.081 11.588 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.986 13.138 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.035 13.950 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.508 14.631 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.387 14.674 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.281 16.875 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.816 16.073 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.036 17.222 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.830 15.563 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.337 16.153 -1.495 1.00 0.00 H new ATOM 711 N LEU A 46 4.617 11.770 0.978 1.00 0.00 N ATOM 712 CA LEU A 46 4.122 11.048 2.187 1.00 0.00 C ATOM 713 C LEU A 46 3.858 12.063 3.302 1.00 0.00 C ATOM 714 O LEU A 46 2.918 11.937 4.061 1.00 0.00 O ATOM 715 CB LEU A 46 5.182 10.038 2.650 1.00 0.00 C ATOM 716 CG LEU A 46 4.545 8.661 2.890 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.403 8.786 3.898 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.993 8.104 1.576 1.00 0.00 C ATOM 0 H LEU A 46 5.631 11.816 0.882 1.00 0.00 H new ATOM 0 HA LEU A 46 3.200 10.517 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.967 9.956 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.654 10.392 3.567 1.00 0.00 H new ATOM 0 HG LEU A 46 5.307 7.986 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.955 7.806 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.790 9.172 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.648 9.469 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.543 7.127 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.238 8.784 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.804 8.003 0.854 1.00 0.00 H new ATOM 730 N GLN A 47 4.679 13.074 3.403 1.00 0.00 N ATOM 731 CA GLN A 47 4.473 14.098 4.465 1.00 0.00 C ATOM 732 C GLN A 47 3.349 15.050 4.048 1.00 0.00 C ATOM 733 O GLN A 47 2.993 15.957 4.773 1.00 0.00 O ATOM 734 CB GLN A 47 5.765 14.893 4.664 1.00 0.00 C ATOM 735 CG GLN A 47 6.968 13.971 4.463 1.00 0.00 C ATOM 736 CD GLN A 47 8.185 14.552 5.185 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.235 14.569 6.399 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.174 15.034 4.484 1.00 0.00 N ATOM 0 H GLN A 47 5.483 13.234 2.796 1.00 0.00 H new ATOM 0 HA GLN A 47 4.202 13.603 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.807 15.722 3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.788 15.325 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.745 12.976 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.181 13.861 3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.132 15.019 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.990 15.425 4.955 1.00 0.00 H new ATOM 747 N ALA A 48 2.791 14.852 2.884 1.00 0.00 N ATOM 748 CA ALA A 48 1.695 15.745 2.418 1.00 0.00 C ATOM 749 C ALA A 48 0.683 15.946 3.547 1.00 0.00 C ATOM 750 O ALA A 48 0.426 17.055 3.972 1.00 0.00 O ATOM 751 CB ALA A 48 0.996 15.109 1.215 1.00 0.00 C ATOM 0 H ALA A 48 3.049 14.108 2.235 1.00 0.00 H new ATOM 0 HA ALA A 48 2.112 16.710 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.193 15.762 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.716 14.967 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.580 14.144 1.504 1.00 0.00 H new ATOM 757 N GLY A 49 0.104 14.883 4.037 1.00 0.00 N ATOM 758 CA GLY A 49 -0.891 15.017 5.139 1.00 0.00 C ATOM 759 C GLY A 49 -0.808 13.796 6.057 1.00 0.00 C ATOM 760 O GLY A 49 -1.641 13.598 6.920 1.00 0.00 O ATOM 0 H GLY A 49 0.277 13.928 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.698 15.926 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.896 15.107 4.726 1.00 0.00 H new ATOM 764 N GLY A 50 0.189 12.973 5.879 1.00 0.00 N ATOM 765 CA GLY A 50 0.319 11.765 6.743 1.00 0.00 C ATOM 766 C GLY A 50 -0.712 10.725 6.310 1.00 0.00 C ATOM 767 O GLY A 50 -1.854 10.756 6.726 1.00 0.00 O ATOM 0 H GLY A 50 0.918 13.084 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.325 11.353 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.166 12.033 7.789 1.00 0.00 H new ATOM 771 N TYR A 51 -0.323 9.806 5.469 1.00 0.00 N ATOM 772 CA TYR A 51 -1.280 8.771 5.001 1.00 0.00 C ATOM 773 C TYR A 51 -1.416 7.674 6.048 1.00 0.00 C ATOM 774 O TYR A 51 -0.458 7.287 6.684 1.00 0.00 O ATOM 775 CB TYR A 51 -0.759 8.160 3.705 1.00 0.00 C ATOM 776 CG TYR A 51 -0.857 9.179 2.603 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.008 10.273 2.598 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.814 9.034 1.593 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.076 11.228 1.583 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.903 9.990 0.576 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.031 11.090 0.571 1.00 0.00 C ATOM 782 OH TYR A 51 -1.113 12.039 -0.426 1.00 0.00 O ATOM 0 H TYR A 51 0.619 9.730 5.086 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.254 9.232 4.835 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.276 7.840 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.338 7.273 3.449 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.744 10.382 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.483 8.186 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.596 12.073 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.642 9.882 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.332 12.909 -0.032 1.00 0.00 H new ATOM 792 N GLY A 52 -2.599 7.157 6.218 1.00 0.00 N ATOM 793 CA GLY A 52 -2.799 6.067 7.209 1.00 0.00 C ATOM 794 C GLY A 52 -2.744 4.728 6.477 1.00 0.00 C ATOM 795 O GLY A 52 -3.002 3.690 7.044 1.00 0.00 O ATOM 0 H GLY A 52 -3.437 7.443 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.028 6.109 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.759 6.184 7.712 1.00 0.00 H new ATOM 799 N PHE A 53 -2.420 4.755 5.212 1.00 0.00 N ATOM 800 CA PHE A 53 -2.356 3.492 4.425 1.00 0.00 C ATOM 801 C PHE A 53 -1.584 3.762 3.128 1.00 0.00 C ATOM 802 O PHE A 53 -1.705 4.819 2.539 1.00 0.00 O ATOM 803 CB PHE A 53 -3.787 3.072 4.089 1.00 0.00 C ATOM 804 CG PHE A 53 -4.013 1.603 4.373 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.317 1.168 5.668 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.974 0.680 3.327 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.585 -0.181 5.907 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.234 -0.665 3.566 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.545 -1.101 4.855 1.00 0.00 C ATOM 0 H PHE A 53 -2.196 5.602 4.689 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.856 2.705 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.489 3.669 4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.990 3.276 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.344 1.876 6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.741 1.012 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.824 -0.515 6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.195 -1.374 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.754 -2.145 5.039 1.00 0.00 H new ATOM 819 N VAL A 54 -0.789 2.830 2.672 1.00 0.00 N ATOM 820 CA VAL A 54 -0.030 3.074 1.405 1.00 0.00 C ATOM 821 C VAL A 54 0.030 1.792 0.574 1.00 0.00 C ATOM 822 O VAL A 54 0.537 0.777 1.009 1.00 0.00 O ATOM 823 CB VAL A 54 1.391 3.549 1.724 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.137 3.840 0.417 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.327 4.831 2.560 1.00 0.00 C ATOM 0 H VAL A 54 -0.632 1.923 3.112 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.544 3.847 0.834 1.00 0.00 H new ATOM 0 HB VAL A 54 1.914 2.772 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.148 4.178 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.184 2.933 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.610 4.617 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.338 5.168 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.803 5.605 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.794 4.633 3.490 1.00 0.00 H new ATOM 835 N ILE A 55 -0.479 1.849 -0.630 1.00 0.00 N ATOM 836 CA ILE A 55 -0.460 0.657 -1.525 1.00 0.00 C ATOM 837 C ILE A 55 0.565 0.895 -2.636 1.00 0.00 C ATOM 838 O ILE A 55 0.585 1.938 -3.258 1.00 0.00 O ATOM 839 CB ILE A 55 -1.843 0.464 -2.151 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.922 0.650 -1.082 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.946 -0.945 -2.735 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.297 0.395 -1.704 1.00 0.00 C ATOM 0 H ILE A 55 -0.911 2.680 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.196 -0.232 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.986 1.199 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.752 -0.037 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.876 1.660 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.931 -1.083 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.180 -1.079 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.801 -1.679 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.069 0.526 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.464 1.100 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.338 -0.623 -2.091 1.00 0.00 H new ATOM 854 N SER A 56 1.416 -0.057 -2.891 1.00 0.00 N ATOM 855 CA SER A 56 2.435 0.129 -3.960 1.00 0.00 C ATOM 856 C SER A 56 2.803 -1.230 -4.553 1.00 0.00 C ATOM 857 O SER A 56 2.835 -2.229 -3.861 1.00 0.00 O ATOM 858 CB SER A 56 3.684 0.778 -3.364 1.00 0.00 C ATOM 859 OG SER A 56 4.133 0.002 -2.261 1.00 0.00 O ATOM 0 H SER A 56 1.451 -0.954 -2.407 1.00 0.00 H new ATOM 0 HA SER A 56 2.029 0.770 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.468 0.847 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.461 1.795 -3.042 1.00 0.00 H new ATOM 0 HG SER A 56 4.633 -0.775 -2.589 1.00 0.00 H new ATOM 865 N ASP A 57 3.085 -1.279 -5.827 1.00 0.00 N ATOM 866 CA ASP A 57 3.456 -2.578 -6.452 1.00 0.00 C ATOM 867 C ASP A 57 4.509 -3.265 -5.578 1.00 0.00 C ATOM 868 O ASP A 57 4.198 -4.131 -4.784 1.00 0.00 O ATOM 869 CB ASP A 57 4.029 -2.332 -7.851 1.00 0.00 C ATOM 870 CG ASP A 57 4.961 -1.119 -7.819 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.527 -0.074 -7.365 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.095 -1.257 -8.249 1.00 0.00 O ATOM 0 H ASP A 57 3.074 -0.478 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 57 2.574 -3.213 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.574 -3.213 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.220 -2.163 -8.562 1.00 0.00 H new ATOM 877 N TRP A 58 5.751 -2.873 -5.704 1.00 0.00 N ATOM 878 CA TRP A 58 6.821 -3.492 -4.866 1.00 0.00 C ATOM 879 C TRP A 58 8.161 -2.811 -5.162 1.00 0.00 C ATOM 880 O TRP A 58 8.705 -2.113 -4.329 1.00 0.00 O ATOM 881 CB TRP A 58 6.912 -4.992 -5.173 1.00 0.00 C ATOM 882 CG TRP A 58 8.203 -5.550 -4.655 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.133 -6.169 -5.417 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.717 -5.570 -3.287 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.187 -6.560 -4.611 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.978 -6.214 -3.291 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.222 -5.095 -2.056 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.720 -6.381 -2.120 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.967 -5.264 -0.878 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.212 -5.904 -0.909 1.00 0.00 C ATOM 0 H TRP A 58 6.070 -2.151 -6.351 1.00 0.00 H new ATOM 0 HA TRP A 58 6.581 -3.361 -3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.072 -5.516 -4.716 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.843 -5.155 -6.248 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.064 -6.332 -6.482 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.018 -7.045 -4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.264 -4.598 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.680 -6.875 -2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.577 -4.897 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.779 -6.029 0.002 1.00 0.00 H new ATOM 901 N ASN A 59 8.700 -2.998 -6.338 1.00 0.00 N ATOM 902 CA ASN A 59 10.002 -2.345 -6.670 1.00 0.00 C ATOM 903 C ASN A 59 10.303 -2.520 -8.161 1.00 0.00 C ATOM 904 O ASN A 59 11.356 -2.989 -8.541 1.00 0.00 O ATOM 905 CB ASN A 59 11.124 -2.979 -5.839 1.00 0.00 C ATOM 906 CG ASN A 59 11.408 -4.402 -6.332 1.00 0.00 C ATOM 907 OD1 ASN A 59 10.752 -4.894 -7.228 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.372 -5.087 -5.781 1.00 0.00 N ATOM 0 H ASN A 59 8.298 -3.571 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 59 9.939 -1.282 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.027 -2.374 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.840 -3.001 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.573 -6.034 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.924 -4.676 -5.028 1.00 0.00 H new ATOM 915 N MET A 60 9.387 -2.144 -9.011 1.00 0.00 N ATOM 916 CA MET A 60 9.623 -2.289 -10.472 1.00 0.00 C ATOM 917 C MET A 60 10.849 -1.468 -10.915 1.00 0.00 C ATOM 918 O MET A 60 11.685 -1.981 -11.632 1.00 0.00 O ATOM 919 CB MET A 60 8.384 -1.835 -11.249 1.00 0.00 C ATOM 920 CG MET A 60 7.842 -3.002 -12.076 1.00 0.00 C ATOM 921 SD MET A 60 7.334 -4.344 -10.972 1.00 0.00 S ATOM 922 CE MET A 60 5.579 -3.918 -10.885 1.00 0.00 C ATOM 0 H MET A 60 8.485 -1.742 -8.755 1.00 0.00 H new ATOM 0 HA MET A 60 9.818 -3.340 -10.685 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.619 -1.479 -10.559 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.637 -1.000 -11.902 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.995 -2.672 -12.678 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.606 -3.356 -12.768 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.063 -4.631 -10.242 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.468 -2.914 -10.475 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.146 -3.952 -11.885 1.00 0.00 H new ATOM 932 N PRO A 61 10.936 -0.217 -10.500 1.00 0.00 N ATOM 933 CA PRO A 61 12.073 0.637 -10.892 1.00 0.00 C ATOM 934 C PRO A 61 13.374 0.098 -10.288 1.00 0.00 C ATOM 935 O PRO A 61 14.205 -0.458 -10.978 1.00 0.00 O ATOM 936 CB PRO A 61 11.743 2.025 -10.324 1.00 0.00 C ATOM 937 CG PRO A 61 10.380 1.921 -9.595 1.00 0.00 C ATOM 938 CD PRO A 61 9.942 0.449 -9.629 1.00 0.00 C ATOM 0 HA PRO A 61 12.216 0.665 -11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.522 2.352 -9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.694 2.764 -11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.469 2.270 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.637 2.552 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.936 0.014 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.933 0.345 -10.028 1.00 0.00 H new ATOM 946 N ASN A 62 13.555 0.260 -9.006 1.00 0.00 N ATOM 947 CA ASN A 62 14.800 -0.241 -8.355 1.00 0.00 C ATOM 948 C ASN A 62 14.754 0.097 -6.863 1.00 0.00 C ATOM 949 O ASN A 62 14.022 -0.505 -6.104 1.00 0.00 O ATOM 950 CB ASN A 62 16.018 0.428 -8.996 1.00 0.00 C ATOM 951 CG ASN A 62 15.696 1.893 -9.301 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.902 2.553 -8.503 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.171 2.442 -10.275 1.00 0.00 N flip ATOM 0 H ASN A 62 12.893 0.719 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 62 14.875 -1.321 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.875 0.365 -8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.292 -0.094 -9.913 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.792 1.926 -10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.949 3.419 -10.469 1.00 0.00 H new ATOM 960 N MET A 63 15.524 1.062 -6.438 1.00 0.00 N ATOM 961 CA MET A 63 15.513 1.439 -4.999 1.00 0.00 C ATOM 962 C MET A 63 14.190 2.135 -4.678 1.00 0.00 C ATOM 963 O MET A 63 14.136 3.336 -4.501 1.00 0.00 O ATOM 964 CB MET A 63 16.675 2.393 -4.711 1.00 0.00 C ATOM 965 CG MET A 63 18.001 1.663 -4.925 1.00 0.00 C ATOM 966 SD MET A 63 19.084 2.673 -5.967 1.00 0.00 S ATOM 967 CE MET A 63 19.972 3.507 -4.630 1.00 0.00 C ATOM 0 H MET A 63 16.158 1.604 -7.025 1.00 0.00 H new ATOM 0 HA MET A 63 15.620 0.546 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.617 3.262 -5.366 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.612 2.761 -3.687 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.480 1.468 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.824 0.696 -5.396 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.706 4.193 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.265 4.066 -4.017 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.481 2.766 -4.013 1.00 0.00 H new ATOM 977 N ASP A 64 13.120 1.391 -4.611 1.00 0.00 N ATOM 978 CA ASP A 64 11.801 2.015 -4.313 1.00 0.00 C ATOM 979 C ASP A 64 10.903 1.010 -3.588 1.00 0.00 C ATOM 980 O ASP A 64 11.141 -0.181 -3.605 1.00 0.00 O ATOM 981 CB ASP A 64 11.132 2.438 -5.623 1.00 0.00 C ATOM 982 CG ASP A 64 9.651 2.057 -5.588 1.00 0.00 C ATOM 983 OD1 ASP A 64 9.358 0.879 -5.711 1.00 0.00 O ATOM 984 OD2 ASP A 64 8.834 2.950 -5.440 1.00 0.00 O ATOM 0 H ASP A 64 13.102 0.381 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 64 11.952 2.888 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.238 3.513 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.623 1.953 -6.467 1.00 0.00 H new ATOM 989 N GLY A 65 9.870 1.489 -2.954 1.00 0.00 N ATOM 990 CA GLY A 65 8.941 0.577 -2.225 1.00 0.00 C ATOM 991 C GLY A 65 9.584 0.074 -0.928 1.00 0.00 C ATOM 992 O GLY A 65 9.134 0.402 0.151 1.00 0.00 O ATOM 0 H GLY A 65 9.627 2.478 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.013 1.101 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.681 -0.270 -2.860 1.00 0.00 H new ATOM 996 N LEU A 66 10.622 -0.721 -1.003 1.00 0.00 N ATOM 997 CA LEU A 66 11.242 -1.214 0.262 1.00 0.00 C ATOM 998 C LEU A 66 11.914 -0.040 0.979 1.00 0.00 C ATOM 999 O LEU A 66 11.419 0.442 1.974 1.00 0.00 O ATOM 1000 CB LEU A 66 12.272 -2.314 -0.027 1.00 0.00 C ATOM 1001 CG LEU A 66 12.863 -2.837 1.296 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.750 -3.387 2.199 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.856 -3.961 1.001 1.00 0.00 C ATOM 0 H LEU A 66 11.059 -1.044 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 66 10.465 -1.639 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.801 -3.131 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.067 -1.923 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 66 13.365 -2.013 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.184 -3.753 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.035 -2.594 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.240 -4.205 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.275 -4.332 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.343 -4.773 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.659 -3.581 0.370 1.00 0.00 H new ATOM 1015 N GLU A 67 13.028 0.435 0.480 1.00 0.00 N ATOM 1016 CA GLU A 67 13.701 1.593 1.145 1.00 0.00 C ATOM 1017 C GLU A 67 12.641 2.657 1.439 1.00 0.00 C ATOM 1018 O GLU A 67 12.691 3.358 2.430 1.00 0.00 O ATOM 1019 CB GLU A 67 14.767 2.170 0.211 1.00 0.00 C ATOM 1020 CG GLU A 67 16.102 2.258 0.953 1.00 0.00 C ATOM 1021 CD GLU A 67 16.618 0.847 1.246 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.650 0.047 0.325 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.970 0.592 2.385 1.00 0.00 O ATOM 0 H GLU A 67 13.497 0.075 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 67 14.180 1.273 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.871 1.540 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.466 3.159 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.829 2.805 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.977 2.811 1.884 1.00 0.00 H new ATOM 1030 N LEU A 68 11.665 2.741 0.583 1.00 0.00 N ATOM 1031 CA LEU A 68 10.547 3.706 0.765 1.00 0.00 C ATOM 1032 C LEU A 68 9.755 3.268 2.003 1.00 0.00 C ATOM 1033 O LEU A 68 9.343 4.062 2.825 1.00 0.00 O ATOM 1034 CB LEU A 68 9.695 3.625 -0.522 1.00 0.00 C ATOM 1035 CG LEU A 68 8.195 3.856 -0.281 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.969 5.280 0.205 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.444 3.659 -1.606 1.00 0.00 C ATOM 0 H LEU A 68 11.593 2.167 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 68 10.877 4.734 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.058 4.365 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.835 2.645 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 68 7.833 3.152 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.905 5.442 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.513 5.437 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.327 5.982 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.378 3.820 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.813 4.372 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.607 2.644 -1.969 1.00 0.00 H new ATOM 1049 N LEU A 69 9.564 1.990 2.126 1.00 0.00 N ATOM 1050 CA LEU A 69 8.819 1.411 3.279 1.00 0.00 C ATOM 1051 C LEU A 69 9.721 1.408 4.523 1.00 0.00 C ATOM 1052 O LEU A 69 9.426 2.046 5.514 1.00 0.00 O ATOM 1053 CB LEU A 69 8.450 -0.016 2.869 1.00 0.00 C ATOM 1054 CG LEU A 69 7.800 -0.812 4.011 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.407 -0.272 4.323 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.656 -2.272 3.580 1.00 0.00 C ATOM 0 H LEU A 69 9.902 1.299 1.456 1.00 0.00 H new ATOM 0 HA LEU A 69 7.927 1.987 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.766 0.019 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.347 -0.537 2.533 1.00 0.00 H new ATOM 0 HG LEU A 69 8.430 -0.723 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.966 -0.851 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.481 0.774 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.778 -0.353 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.195 -2.845 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.030 -2.328 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.640 -2.685 3.358 1.00 0.00 H new ATOM 1068 N LYS A 70 10.814 0.692 4.476 1.00 0.00 N ATOM 1069 CA LYS A 70 11.740 0.642 5.649 1.00 0.00 C ATOM 1070 C LYS A 70 11.914 2.047 6.233 1.00 0.00 C ATOM 1071 O LYS A 70 12.035 2.220 7.430 1.00 0.00 O ATOM 1072 CB LYS A 70 13.104 0.113 5.196 1.00 0.00 C ATOM 1073 CG LYS A 70 13.684 -0.805 6.276 1.00 0.00 C ATOM 1074 CD LYS A 70 15.061 -1.313 5.839 1.00 0.00 C ATOM 1075 CE LYS A 70 14.901 -2.587 5.006 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.248 -3.087 4.602 1.00 0.00 N ATOM 0 H LYS A 70 11.107 0.137 3.672 1.00 0.00 H new ATOM 0 HA LYS A 70 11.321 -0.017 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.000 -0.433 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.783 0.944 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.768 -0.265 7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.014 -1.647 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.573 -0.548 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.679 -1.514 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.376 -3.348 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.296 -2.383 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.141 -3.953 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.733 -2.361 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.810 -3.296 5.452 1.00 0.00 H new ATOM 1090 N THR A 71 11.924 3.051 5.400 1.00 0.00 N ATOM 1091 CA THR A 71 12.087 4.441 5.911 1.00 0.00 C ATOM 1092 C THR A 71 10.806 4.866 6.633 1.00 0.00 C ATOM 1093 O THR A 71 10.842 5.585 7.612 1.00 0.00 O ATOM 1094 CB THR A 71 12.353 5.391 4.740 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.682 5.198 4.271 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.178 6.838 5.203 1.00 0.00 C ATOM 0 H THR A 71 11.826 2.969 4.388 1.00 0.00 H new ATOM 0 HA THR A 71 12.928 4.479 6.603 1.00 0.00 H new ATOM 0 HB THR A 71 11.648 5.184 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.678 4.551 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.368 7.513 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.160 6.984 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.882 7.050 6.008 1.00 0.00 H new ATOM 1104 N ILE A 72 9.674 4.424 6.157 1.00 0.00 N ATOM 1105 CA ILE A 72 8.391 4.797 6.815 1.00 0.00 C ATOM 1106 C ILE A 72 8.358 4.205 8.227 1.00 0.00 C ATOM 1107 O ILE A 72 7.699 4.716 9.111 1.00 0.00 O ATOM 1108 CB ILE A 72 7.219 4.244 5.996 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.061 5.078 4.717 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.932 4.326 6.818 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.278 4.291 3.656 1.00 0.00 C ATOM 0 H ILE A 72 9.583 3.820 5.340 1.00 0.00 H new ATOM 0 HA ILE A 72 8.309 5.882 6.874 1.00 0.00 H new ATOM 0 HB ILE A 72 7.415 3.203 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.542 6.009 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.043 5.347 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.101 3.932 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.044 3.739 7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.732 5.365 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.175 4.897 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.813 3.372 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.289 4.044 4.042 1.00 0.00 H new ATOM 1123 N ARG A 73 9.069 3.131 8.448 1.00 0.00 N ATOM 1124 CA ARG A 73 9.082 2.507 9.803 1.00 0.00 C ATOM 1125 C ARG A 73 10.213 3.110 10.640 1.00 0.00 C ATOM 1126 O ARG A 73 10.057 3.368 11.816 1.00 0.00 O ATOM 1127 CB ARG A 73 9.298 0.998 9.670 1.00 0.00 C ATOM 1128 CG ARG A 73 8.819 0.299 10.945 1.00 0.00 C ATOM 1129 CD ARG A 73 9.157 -1.192 10.871 1.00 0.00 C ATOM 1130 NE ARG A 73 10.082 -1.547 11.984 1.00 0.00 N ATOM 1131 CZ ARG A 73 9.608 -2.050 13.091 1.00 0.00 C ATOM 1132 NH1 ARG A 73 8.847 -1.323 13.864 1.00 0.00 N ATOM 1133 NH2 ARG A 73 9.895 -3.277 13.427 1.00 0.00 N ATOM 0 H ARG A 73 9.641 2.659 7.748 1.00 0.00 H new ATOM 0 HA ARG A 73 8.128 2.698 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.753 0.617 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.353 0.785 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.294 0.747 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.744 0.433 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.246 -1.786 10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.619 -1.424 9.912 1.00 0.00 H new ATOM 0 HE ARG A 73 11.086 -1.397 11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.623 -0.363 13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.476 -1.715 14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.491 -3.845 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.524 -3.669 14.293 1.00 0.00 H new ATOM 1147 N ALA A 74 11.354 3.330 10.044 1.00 0.00 N ATOM 1148 CA ALA A 74 12.499 3.908 10.807 1.00 0.00 C ATOM 1149 C ALA A 74 12.017 5.094 11.646 1.00 0.00 C ATOM 1150 O ALA A 74 12.573 5.397 12.684 1.00 0.00 O ATOM 1151 CB ALA A 74 13.575 4.383 9.829 1.00 0.00 C ATOM 0 H ALA A 74 11.543 3.134 9.061 1.00 0.00 H new ATOM 0 HA ALA A 74 12.913 3.145 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.412 4.805 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.924 3.539 9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.157 5.144 9.170 1.00 0.00 H new ATOM 1157 N ASP A 75 10.992 5.770 11.206 1.00 0.00 N ATOM 1158 CA ASP A 75 10.481 6.937 11.981 1.00 0.00 C ATOM 1159 C ASP A 75 10.042 6.477 13.373 1.00 0.00 C ATOM 1160 O ASP A 75 9.827 5.304 13.607 1.00 0.00 O ATOM 1161 CB ASP A 75 9.286 7.554 11.251 1.00 0.00 C ATOM 1162 CG ASP A 75 9.532 9.050 11.042 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.721 9.742 12.029 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.525 9.478 9.900 1.00 0.00 O ATOM 0 H ASP A 75 10.486 5.566 10.344 1.00 0.00 H new ATOM 0 HA ASP A 75 11.273 7.680 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.139 7.061 10.290 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.375 7.402 11.830 1.00 0.00 H new ATOM 1169 N GLY A 76 9.909 7.397 14.295 1.00 0.00 N ATOM 1170 CA GLY A 76 9.482 7.030 15.680 1.00 0.00 C ATOM 1171 C GLY A 76 8.063 7.542 15.931 1.00 0.00 C ATOM 1172 O GLY A 76 7.653 7.733 17.059 1.00 0.00 O ATOM 0 H GLY A 76 10.079 8.392 14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.517 5.948 15.808 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.169 7.460 16.409 1.00 0.00 H new ATOM 1176 N ALA A 77 7.310 7.770 14.889 1.00 0.00 N ATOM 1177 CA ALA A 77 5.918 8.272 15.073 1.00 0.00 C ATOM 1178 C ALA A 77 5.037 7.769 13.927 1.00 0.00 C ATOM 1179 O ALA A 77 3.860 8.068 13.865 1.00 0.00 O ATOM 1180 CB ALA A 77 5.924 9.802 15.077 1.00 0.00 C ATOM 0 H ALA A 77 7.598 7.631 13.920 1.00 0.00 H new ATOM 0 HA ALA A 77 5.523 7.907 16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.907 10.169 15.211 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.550 10.161 15.893 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.319 10.167 14.129 1.00 0.00 H new ATOM 1186 N MET A 78 5.602 7.008 13.024 1.00 0.00 N ATOM 1187 CA MET A 78 4.811 6.475 11.873 1.00 0.00 C ATOM 1188 C MET A 78 4.944 4.951 11.833 1.00 0.00 C ATOM 1189 O MET A 78 4.640 4.316 10.843 1.00 0.00 O ATOM 1190 CB MET A 78 5.348 7.068 10.568 1.00 0.00 C ATOM 1191 CG MET A 78 4.410 8.176 10.085 1.00 0.00 C ATOM 1192 SD MET A 78 4.298 9.466 11.350 1.00 0.00 S ATOM 1193 CE MET A 78 4.974 10.818 10.356 1.00 0.00 C ATOM 0 H MET A 78 6.584 6.731 13.035 1.00 0.00 H new ATOM 0 HA MET A 78 3.762 6.748 11.991 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.350 7.468 10.723 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.429 6.290 9.809 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.780 8.599 9.151 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.421 7.766 9.880 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.997 11.731 10.951 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.986 10.566 10.039 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.347 10.973 9.478 1.00 0.00 H new ATOM 1203 N SER A 79 5.394 4.358 12.905 1.00 0.00 N ATOM 1204 CA SER A 79 5.545 2.876 12.931 1.00 0.00 C ATOM 1205 C SER A 79 4.163 2.225 13.014 1.00 0.00 C ATOM 1206 O SER A 79 4.035 1.061 13.341 1.00 0.00 O ATOM 1207 CB SER A 79 6.373 2.467 14.149 1.00 0.00 C ATOM 1208 OG SER A 79 6.433 1.049 14.223 1.00 0.00 O ATOM 0 H SER A 79 5.664 4.837 13.764 1.00 0.00 H new ATOM 0 HA SER A 79 6.050 2.547 12.022 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.378 2.881 14.075 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.928 2.871 15.058 1.00 0.00 H new ATOM 0 HG SER A 79 5.524 0.682 14.208 1.00 0.00 H new ATOM 1214 N ALA A 80 3.129 2.971 12.719 1.00 0.00 N ATOM 1215 CA ALA A 80 1.746 2.412 12.774 1.00 0.00 C ATOM 1216 C ALA A 80 1.023 2.723 11.463 1.00 0.00 C ATOM 1217 O ALA A 80 -0.164 2.983 11.448 1.00 0.00 O ATOM 1218 CB ALA A 80 0.984 3.050 13.938 1.00 0.00 C ATOM 0 H ALA A 80 3.185 3.951 12.440 1.00 0.00 H new ATOM 0 HA ALA A 80 1.794 1.333 12.919 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.026 2.642 13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.501 2.834 14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.934 4.129 13.792 1.00 0.00 H new ATOM 1224 N LEU A 81 1.736 2.699 10.366 1.00 0.00 N ATOM 1225 CA LEU A 81 1.108 2.992 9.044 1.00 0.00 C ATOM 1226 C LEU A 81 1.064 1.695 8.199 1.00 0.00 C ATOM 1227 O LEU A 81 2.069 1.323 7.624 1.00 0.00 O ATOM 1228 CB LEU A 81 1.951 4.044 8.315 1.00 0.00 C ATOM 1229 CG LEU A 81 1.085 5.274 8.018 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.633 5.933 9.328 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.896 6.279 7.200 1.00 0.00 C ATOM 0 H LEU A 81 2.733 2.487 10.330 1.00 0.00 H new ATOM 0 HA LEU A 81 0.094 3.366 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.807 4.328 8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.345 3.631 7.387 1.00 0.00 H new ATOM 0 HG LEU A 81 0.205 4.961 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.019 6.805 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.051 5.220 9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.508 6.243 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.282 7.155 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.777 6.582 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.208 5.818 6.263 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.076 1.021 8.145 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.195 -0.232 7.370 1.00 0.00 C ATOM 1245 C PRO A 82 0.086 -0.031 5.879 1.00 0.00 C ATOM 1246 O PRO A 82 -0.202 1.003 5.300 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.641 -0.695 7.577 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.324 0.304 8.538 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.325 1.429 8.829 1.00 0.00 C ATOM 0 HA PRO A 82 0.539 -0.963 7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.170 -0.732 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.664 -1.702 7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.232 0.706 8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.618 -0.194 9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.687 2.385 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.167 1.549 9.901 1.00 0.00 H new ATOM 1257 N VAL A 83 0.634 -1.044 5.262 1.00 0.00 N ATOM 1258 CA VAL A 83 0.935 -0.981 3.807 1.00 0.00 C ATOM 1259 C VAL A 83 0.383 -2.218 3.140 1.00 0.00 C ATOM 1260 O VAL A 83 0.666 -3.325 3.555 1.00 0.00 O ATOM 1261 CB VAL A 83 2.448 -0.980 3.571 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.747 -1.521 2.160 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.983 0.446 3.682 1.00 0.00 C ATOM 0 H VAL A 83 0.888 -1.923 5.713 1.00 0.00 H new ATOM 0 HA VAL A 83 0.491 -0.071 3.403 1.00 0.00 H new ATOM 0 HB VAL A 83 2.929 -1.611 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.824 -1.521 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.366 -2.539 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.263 -0.887 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.060 0.445 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.500 1.075 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.772 0.837 4.677 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.358 -2.043 2.087 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.879 -3.219 1.361 1.00 0.00 C ATOM 1275 C LEU A 84 -0.190 -3.281 0.005 1.00 0.00 C ATOM 1276 O LEU A 84 -0.776 -3.031 -1.029 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.403 -3.114 1.216 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.973 -4.311 0.430 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.467 -5.632 1.015 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.503 -4.293 0.504 1.00 0.00 C ATOM 0 H LEU A 84 -0.623 -1.137 1.701 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.670 -4.137 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.863 -3.072 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.659 -2.186 0.706 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.644 -4.229 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.881 -6.464 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.379 -5.661 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.780 -5.713 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.904 -5.140 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.818 -4.361 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.877 -3.365 0.072 1.00 0.00 H new ATOM 1292 N MET A 85 1.073 -3.613 0.009 1.00 0.00 N ATOM 1293 CA MET A 85 1.813 -3.701 -1.271 1.00 0.00 C ATOM 1294 C MET A 85 1.142 -4.765 -2.122 1.00 0.00 C ATOM 1295 O MET A 85 0.311 -5.511 -1.649 1.00 0.00 O ATOM 1296 CB MET A 85 3.273 -4.091 -1.011 1.00 0.00 C ATOM 1297 CG MET A 85 4.047 -2.896 -0.442 1.00 0.00 C ATOM 1298 SD MET A 85 5.361 -2.426 -1.594 1.00 0.00 S ATOM 1299 CE MET A 85 6.242 -1.299 -0.484 1.00 0.00 C ATOM 0 H MET A 85 1.619 -3.826 0.844 1.00 0.00 H new ATOM 0 HA MET A 85 1.801 -2.737 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.315 -4.927 -0.312 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.738 -4.427 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.372 -2.055 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.473 -3.153 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.484 -0.379 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.611 -1.067 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.162 -1.772 -0.140 1.00 0.00 H new ATOM 1309 N VAL A 86 1.467 -4.828 -3.373 1.00 0.00 N ATOM 1310 CA VAL A 86 0.813 -5.836 -4.238 1.00 0.00 C ATOM 1311 C VAL A 86 1.767 -6.255 -5.358 1.00 0.00 C ATOM 1312 O VAL A 86 2.435 -5.440 -5.955 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.457 -5.208 -4.804 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.098 -3.946 -5.589 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.171 -6.202 -5.715 1.00 0.00 C ATOM 0 H VAL A 86 2.153 -4.230 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 86 0.558 -6.731 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.123 -4.944 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.006 -3.498 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.395 -3.234 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.574 -4.205 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.076 -5.744 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.512 -6.480 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.436 -7.093 -5.145 1.00 0.00 H new ATOM 1325 N THR A 87 1.832 -7.527 -5.653 1.00 0.00 N ATOM 1326 CA THR A 87 2.745 -7.978 -6.744 1.00 0.00 C ATOM 1327 C THR A 87 2.186 -9.235 -7.412 1.00 0.00 C ATOM 1328 O THR A 87 1.241 -9.834 -6.940 1.00 0.00 O ATOM 1329 CB THR A 87 4.129 -8.276 -6.164 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.099 -8.207 -7.199 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.137 -9.674 -5.549 1.00 0.00 C ATOM 0 H THR A 87 1.300 -8.265 -5.192 1.00 0.00 H new ATOM 0 HA THR A 87 2.825 -7.187 -7.490 1.00 0.00 H new ATOM 0 HB THR A 87 4.365 -7.542 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.986 -8.396 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.124 -9.884 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.393 -9.726 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.900 -10.411 -6.317 1.00 0.00 H new ATOM 1339 N ALA A 88 2.780 -9.647 -8.502 1.00 0.00 N ATOM 1340 CA ALA A 88 2.309 -10.878 -9.200 1.00 0.00 C ATOM 1341 C ALA A 88 3.263 -12.023 -8.853 1.00 0.00 C ATOM 1342 O ALA A 88 4.467 -11.879 -8.931 1.00 0.00 O ATOM 1343 CB ALA A 88 2.317 -10.647 -10.713 1.00 0.00 C ATOM 0 H ALA A 88 3.575 -9.181 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 88 1.295 -11.123 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.972 -11.548 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.654 -9.817 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.330 -10.411 -11.040 1.00 0.00 H new ATOM 1349 N GLU A 89 2.746 -13.152 -8.456 1.00 0.00 N ATOM 1350 CA GLU A 89 3.643 -14.284 -8.093 1.00 0.00 C ATOM 1351 C GLU A 89 4.695 -13.775 -7.103 1.00 0.00 C ATOM 1352 O GLU A 89 5.838 -13.555 -7.452 1.00 0.00 O ATOM 1353 CB GLU A 89 4.336 -14.820 -9.349 1.00 0.00 C ATOM 1354 CG GLU A 89 3.289 -15.399 -10.302 1.00 0.00 C ATOM 1355 CD GLU A 89 2.913 -16.811 -9.852 1.00 0.00 C ATOM 1356 OE1 GLU A 89 2.111 -16.927 -8.939 1.00 0.00 O ATOM 1357 OE2 GLU A 89 3.431 -17.754 -10.427 1.00 0.00 O ATOM 0 H GLU A 89 1.747 -13.339 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 89 3.062 -15.088 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.889 -14.020 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.061 -15.588 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.404 -14.763 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.681 -15.422 -11.319 1.00 0.00 H new ATOM 1364 N ALA A 90 4.306 -13.571 -5.873 1.00 0.00 N ATOM 1365 CA ALA A 90 5.265 -13.058 -4.852 1.00 0.00 C ATOM 1366 C ALA A 90 6.605 -13.791 -4.966 1.00 0.00 C ATOM 1367 O ALA A 90 6.658 -14.992 -5.146 1.00 0.00 O ATOM 1368 CB ALA A 90 4.679 -13.270 -3.454 1.00 0.00 C ATOM 0 H ALA A 90 3.360 -13.739 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 90 5.432 -11.995 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.378 -12.896 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.735 -12.732 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.506 -14.334 -3.289 1.00 0.00 H new ATOM 1374 N LYS A 91 7.689 -13.069 -4.859 1.00 0.00 N ATOM 1375 CA LYS A 91 9.033 -13.706 -4.957 1.00 0.00 C ATOM 1376 C LYS A 91 9.299 -14.532 -3.698 1.00 0.00 C ATOM 1377 O LYS A 91 10.287 -15.232 -3.600 1.00 0.00 O ATOM 1378 CB LYS A 91 10.100 -12.616 -5.087 1.00 0.00 C ATOM 1379 CG LYS A 91 11.361 -13.203 -5.727 1.00 0.00 C ATOM 1380 CD LYS A 91 12.447 -12.126 -5.796 1.00 0.00 C ATOM 1381 CE LYS A 91 13.271 -12.146 -4.506 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.817 -10.784 -4.247 1.00 0.00 N ATOM 0 H LYS A 91 7.700 -12.060 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 91 9.066 -14.357 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.722 -11.793 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.336 -12.205 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.714 -14.054 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.136 -13.572 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.094 -12.302 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.993 -11.145 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.650 -12.466 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.085 -12.866 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.377 -10.795 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.423 -10.496 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.032 -10.109 -4.147 1.00 0.00 H new ATOM 1396 N LYS A 92 8.421 -14.456 -2.735 1.00 0.00 N ATOM 1397 CA LYS A 92 8.614 -15.237 -1.478 1.00 0.00 C ATOM 1398 C LYS A 92 9.706 -14.581 -0.625 1.00 0.00 C ATOM 1399 O LYS A 92 9.430 -13.972 0.388 1.00 0.00 O ATOM 1400 CB LYS A 92 9.012 -16.676 -1.825 1.00 0.00 C ATOM 1401 CG LYS A 92 8.425 -17.633 -0.786 1.00 0.00 C ATOM 1402 CD LYS A 92 8.852 -19.067 -1.109 1.00 0.00 C ATOM 1403 CE LYS A 92 9.458 -19.712 0.138 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.743 -19.036 0.474 1.00 0.00 N ATOM 0 H LYS A 92 7.576 -13.885 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 92 7.683 -15.251 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.649 -16.935 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.098 -16.769 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.767 -17.357 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.338 -17.559 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.993 -19.645 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.579 -19.067 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.764 -19.633 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.629 -20.774 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.369 -19.705 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.203 -18.711 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.555 -18.220 1.090 1.00 0.00 H new ATOM 1418 N GLU A 93 10.945 -14.705 -1.020 1.00 0.00 N ATOM 1419 CA GLU A 93 12.045 -14.096 -0.227 1.00 0.00 C ATOM 1420 C GLU A 93 11.758 -12.611 0.004 1.00 0.00 C ATOM 1421 O GLU A 93 12.411 -11.959 0.794 1.00 0.00 O ATOM 1422 CB GLU A 93 13.364 -14.247 -0.987 1.00 0.00 C ATOM 1423 CG GLU A 93 13.899 -15.669 -0.808 1.00 0.00 C ATOM 1424 CD GLU A 93 14.781 -15.730 0.440 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.248 -15.987 1.506 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.976 -15.519 0.307 1.00 0.00 O ATOM 0 H GLU A 93 11.240 -15.203 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 93 12.117 -14.602 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.212 -14.035 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.092 -13.524 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.071 -16.371 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.472 -15.966 -1.686 1.00 0.00 H new ATOM 1433 N ASN A 94 10.789 -12.070 -0.681 1.00 0.00 N ATOM 1434 CA ASN A 94 10.466 -10.625 -0.504 1.00 0.00 C ATOM 1435 C ASN A 94 9.428 -10.456 0.607 1.00 0.00 C ATOM 1436 O ASN A 94 9.606 -9.678 1.524 1.00 0.00 O ATOM 1437 CB ASN A 94 9.908 -10.069 -1.819 1.00 0.00 C ATOM 1438 CG ASN A 94 8.831 -9.024 -1.524 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.990 -8.202 -0.644 1.00 0.00 O ATOM 1440 ND2 ASN A 94 7.735 -9.017 -2.232 1.00 0.00 N ATOM 0 H ASN A 94 10.206 -12.565 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 94 11.370 -10.082 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.711 -9.622 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.489 -10.878 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.012 -8.321 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.601 -9.707 -2.971 1.00 0.00 H new ATOM 1447 N ILE A 95 8.347 -11.176 0.531 1.00 0.00 N ATOM 1448 CA ILE A 95 7.288 -11.058 1.576 1.00 0.00 C ATOM 1449 C ILE A 95 7.923 -11.078 2.969 1.00 0.00 C ATOM 1450 O ILE A 95 7.599 -10.271 3.817 1.00 0.00 O ATOM 1451 CB ILE A 95 6.307 -12.226 1.445 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.943 -12.426 -0.030 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.038 -11.922 2.242 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.563 -11.080 -0.652 1.00 0.00 C ATOM 0 H ILE A 95 8.147 -11.845 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 95 6.756 -10.117 1.439 1.00 0.00 H new ATOM 0 HB ILE A 95 6.772 -13.132 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.786 -12.861 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.112 -13.126 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.341 -12.755 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.293 -11.780 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.574 -11.015 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.304 -11.224 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.707 -10.663 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.406 -10.394 -0.577 1.00 0.00 H new ATOM 1466 N ILE A 96 8.819 -11.992 3.220 1.00 0.00 N ATOM 1467 CA ILE A 96 9.457 -12.048 4.565 1.00 0.00 C ATOM 1468 C ILE A 96 10.153 -10.720 4.855 1.00 0.00 C ATOM 1469 O ILE A 96 9.766 -9.989 5.745 1.00 0.00 O ATOM 1470 CB ILE A 96 10.478 -13.187 4.609 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.748 -14.531 4.529 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.265 -13.113 5.918 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.314 -15.353 3.370 1.00 0.00 C ATOM 0 H ILE A 96 9.136 -12.699 2.556 1.00 0.00 H new ATOM 0 HA ILE A 96 8.691 -12.228 5.319 1.00 0.00 H new ATOM 0 HB ILE A 96 11.163 -13.095 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.864 -15.076 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.680 -14.368 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.993 -13.924 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.784 -12.156 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.580 -13.206 6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.794 -16.309 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.175 -14.809 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.378 -15.528 3.533 1.00 0.00 H new ATOM 1485 N ALA A 97 11.172 -10.399 4.110 1.00 0.00 N ATOM 1486 CA ALA A 97 11.886 -9.110 4.342 1.00 0.00 C ATOM 1487 C ALA A 97 10.854 -7.993 4.464 1.00 0.00 C ATOM 1488 O ALA A 97 10.758 -7.326 5.474 1.00 0.00 O ATOM 1489 CB ALA A 97 12.815 -8.815 3.163 1.00 0.00 C ATOM 0 H ALA A 97 11.542 -10.971 3.351 1.00 0.00 H new ATOM 0 HA ALA A 97 12.477 -9.176 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.335 -7.873 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.544 -9.619 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.229 -8.743 2.247 1.00 0.00 H new ATOM 1495 N ALA A 98 10.079 -7.796 3.437 1.00 0.00 N ATOM 1496 CA ALA A 98 9.037 -6.735 3.471 1.00 0.00 C ATOM 1497 C ALA A 98 8.294 -6.779 4.811 1.00 0.00 C ATOM 1498 O ALA A 98 8.035 -5.762 5.422 1.00 0.00 O ATOM 1499 CB ALA A 98 8.045 -6.980 2.333 1.00 0.00 C ATOM 0 H ALA A 98 10.123 -8.329 2.568 1.00 0.00 H new ATOM 0 HA ALA A 98 9.506 -5.758 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.276 -6.208 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.571 -6.950 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.580 -7.958 2.460 1.00 0.00 H new ATOM 1505 N ALA A 99 7.940 -7.948 5.271 1.00 0.00 N ATOM 1506 CA ALA A 99 7.206 -8.046 6.559 1.00 0.00 C ATOM 1507 C ALA A 99 8.054 -7.472 7.697 1.00 0.00 C ATOM 1508 O ALA A 99 7.584 -6.687 8.495 1.00 0.00 O ATOM 1509 CB ALA A 99 6.888 -9.513 6.854 1.00 0.00 C ATOM 0 H ALA A 99 8.128 -8.838 4.809 1.00 0.00 H new ATOM 0 HA ALA A 99 6.280 -7.475 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.349 -9.586 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.271 -9.920 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.816 -10.080 6.921 1.00 0.00 H new ATOM 1515 N GLN A 100 9.295 -7.860 7.784 1.00 0.00 N ATOM 1516 CA GLN A 100 10.161 -7.337 8.879 1.00 0.00 C ATOM 1517 C GLN A 100 10.139 -5.809 8.859 1.00 0.00 C ATOM 1518 O GLN A 100 10.602 -5.163 9.778 1.00 0.00 O ATOM 1519 CB GLN A 100 11.597 -7.828 8.676 1.00 0.00 C ATOM 1520 CG GLN A 100 11.608 -9.353 8.552 1.00 0.00 C ATOM 1521 CD GLN A 100 12.976 -9.888 8.976 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.364 -9.759 10.120 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.731 -10.488 8.096 1.00 0.00 N ATOM 0 H GLN A 100 9.747 -8.515 7.146 1.00 0.00 H new ATOM 0 HA GLN A 100 9.788 -7.695 9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.022 -7.378 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.220 -7.517 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.827 -9.785 9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.393 -9.647 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.406 -10.597 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.645 -10.848 8.369 1.00 0.00 H new ATOM 1532 N ALA A 101 9.610 -5.230 7.813 1.00 0.00 N ATOM 1533 CA ALA A 101 9.560 -3.739 7.717 1.00 0.00 C ATOM 1534 C ALA A 101 8.137 -3.236 8.028 1.00 0.00 C ATOM 1535 O ALA A 101 7.689 -3.302 9.156 1.00 0.00 O ATOM 1536 CB ALA A 101 9.981 -3.318 6.303 1.00 0.00 C ATOM 0 H ALA A 101 9.209 -5.727 7.018 1.00 0.00 H new ATOM 0 HA ALA A 101 10.243 -3.299 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.948 -2.232 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.995 -3.666 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.299 -3.757 5.575 1.00 0.00 H new ATOM 1542 N GLY A 102 7.433 -2.731 7.042 1.00 0.00 N ATOM 1543 CA GLY A 102 6.048 -2.217 7.269 1.00 0.00 C ATOM 1544 C GLY A 102 5.110 -2.760 6.182 1.00 0.00 C ATOM 1545 O GLY A 102 3.919 -2.530 6.197 1.00 0.00 O ATOM 0 H GLY A 102 7.764 -2.653 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.694 -2.521 8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.047 -1.127 7.253 1.00 0.00 H new ATOM 1549 N ALA A 103 5.657 -3.502 5.265 1.00 0.00 N ATOM 1550 CA ALA A 103 4.870 -4.128 4.153 1.00 0.00 C ATOM 1551 C ALA A 103 3.808 -5.079 4.711 1.00 0.00 C ATOM 1552 O ALA A 103 3.264 -5.893 3.995 1.00 0.00 O ATOM 1553 CB ALA A 103 5.819 -4.898 3.244 1.00 0.00 C ATOM 0 H ALA A 103 6.655 -3.712 5.234 1.00 0.00 H new ATOM 0 HA ALA A 103 4.367 -3.343 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.254 -5.356 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.560 -4.215 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.323 -5.675 3.819 1.00 0.00 H new ATOM 1559 N SER A 104 3.591 -5.027 5.997 1.00 0.00 N ATOM 1560 CA SER A 104 2.638 -5.966 6.685 1.00 0.00 C ATOM 1561 C SER A 104 1.493 -6.429 5.772 1.00 0.00 C ATOM 1562 O SER A 104 1.006 -7.532 5.923 1.00 0.00 O ATOM 1563 CB SER A 104 2.031 -5.250 7.895 1.00 0.00 C ATOM 1564 OG SER A 104 2.762 -5.597 9.064 1.00 0.00 O ATOM 0 H SER A 104 4.043 -4.358 6.621 1.00 0.00 H new ATOM 0 HA SER A 104 3.206 -6.849 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.057 -4.171 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.984 -5.531 8.010 1.00 0.00 H new ATOM 0 HG SER A 104 2.472 -5.033 9.811 1.00 0.00 H new ATOM 1570 N GLY A 105 1.064 -5.629 4.832 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.044 -6.071 3.928 1.00 0.00 C ATOM 1572 C GLY A 105 0.507 -6.383 2.532 1.00 0.00 C ATOM 1573 O GLY A 105 1.190 -5.579 1.929 1.00 0.00 O ATOM 0 H GLY A 105 1.429 -4.694 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.530 -6.955 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.803 -5.291 3.862 1.00 0.00 H new ATOM 1577 N TYR A 106 0.204 -7.546 2.009 1.00 0.00 N ATOM 1578 CA TYR A 106 0.695 -7.908 0.647 1.00 0.00 C ATOM 1579 C TYR A 106 -0.329 -8.802 -0.044 1.00 0.00 C ATOM 1580 O TYR A 106 -0.611 -9.896 0.402 1.00 0.00 O ATOM 1581 CB TYR A 106 2.017 -8.670 0.734 1.00 0.00 C ATOM 1582 CG TYR A 106 1.953 -9.903 -0.150 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.931 -9.782 -1.553 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.922 -11.176 0.434 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.881 -10.932 -2.351 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.870 -12.319 -0.368 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.850 -12.198 -1.759 1.00 0.00 C ATOM 1588 OH TYR A 106 1.806 -13.329 -2.547 1.00 0.00 O ATOM 0 H TYR A 106 -0.362 -8.259 2.468 1.00 0.00 H new ATOM 0 HA TYR A 106 0.843 -6.987 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.840 -8.028 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.214 -8.960 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.953 -8.805 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.938 -11.274 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.866 -10.840 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.845 -13.297 0.089 1.00 0.00 H new ATOM 0 HH TYR A 106 1.790 -14.125 -1.976 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.872 -8.346 -1.138 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.866 -9.163 -1.888 1.00 0.00 C ATOM 1600 C VAL A 107 -1.257 -9.554 -3.228 1.00 0.00 C ATOM 1601 O VAL A 107 -0.545 -8.784 -3.842 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.126 -8.338 -2.138 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.725 -6.931 -2.574 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.950 -8.996 -3.247 1.00 0.00 C ATOM 0 H VAL A 107 -0.668 -7.435 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.124 -10.051 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.719 -8.285 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.621 -6.337 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.130 -6.463 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.137 -6.988 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.851 -8.409 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.358 -9.043 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.229 -10.005 -2.943 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.533 -10.735 -3.697 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.970 -11.143 -5.006 1.00 0.00 C ATOM 1616 C VAL A 108 -1.956 -10.725 -6.108 1.00 0.00 C ATOM 1617 O VAL A 108 -3.008 -11.313 -6.254 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.794 -12.665 -5.048 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.622 -13.011 -5.512 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.033 -13.250 -3.655 1.00 0.00 C ATOM 0 H VAL A 108 -2.119 -11.429 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.001 -10.667 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.515 -13.088 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.741 -14.094 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.789 -12.602 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.347 -12.584 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.907 -14.332 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.317 -12.823 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.046 -13.012 -3.329 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.644 -9.717 -6.877 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.595 -9.286 -7.947 1.00 0.00 C ATOM 1632 C LYS A 109 -2.710 -10.406 -8.994 1.00 0.00 C ATOM 1633 O LYS A 109 -1.818 -11.224 -9.099 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.073 -7.984 -8.585 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.596 -8.215 -10.029 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.972 -6.922 -10.560 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.324 -7.191 -11.919 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.160 -7.147 -11.777 1.00 0.00 N ATOM 0 H LYS A 109 -0.781 -9.177 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.584 -9.097 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.862 -7.232 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.251 -7.589 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.867 -9.025 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.433 -8.515 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.735 -6.149 -10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.227 -6.549 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.636 -8.165 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.653 -6.448 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.601 -7.602 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.474 -6.157 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.441 -7.651 -10.912 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.777 -10.407 -9.773 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.894 -9.429 -9.683 1.00 0.00 C ATOM 1654 C PRO A 110 -5.795 -9.742 -8.480 1.00 0.00 C ATOM 1655 O PRO A 110 -5.754 -10.825 -7.929 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.703 -9.655 -10.969 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.026 -10.807 -11.755 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.917 -11.383 -10.865 1.00 0.00 C ATOM 0 HA PRO A 110 -4.527 -8.409 -9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.736 -9.909 -10.731 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.729 -8.746 -11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.754 -11.578 -12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.612 -10.439 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.185 -12.369 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.984 -11.497 -11.417 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.623 -8.809 -8.085 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.543 -9.066 -6.937 1.00 0.00 C ATOM 1668 C PHE A 111 -8.869 -8.371 -7.172 1.00 0.00 C ATOM 1669 O PHE A 111 -8.956 -7.349 -7.825 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.962 -8.526 -5.630 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.512 -7.105 -5.830 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.443 -6.058 -5.849 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.161 -6.838 -6.024 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.001 -4.748 -6.070 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.721 -5.530 -6.239 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.642 -4.486 -6.266 1.00 0.00 C ATOM 0 H PHE A 111 -6.702 -7.883 -8.506 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.676 -10.145 -6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.711 -8.574 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.122 -9.143 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.493 -6.260 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.447 -7.648 -6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.713 -3.936 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.670 -5.329 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.306 -3.474 -6.438 1.00 0.00 H new ATOM 1686 N THR A 112 -9.890 -8.908 -6.597 1.00 0.00 N ATOM 1687 CA THR A 112 -11.236 -8.293 -6.712 1.00 0.00 C ATOM 1688 C THR A 112 -11.479 -7.494 -5.435 1.00 0.00 C ATOM 1689 O THR A 112 -10.966 -7.836 -4.388 1.00 0.00 O ATOM 1690 CB THR A 112 -12.295 -9.390 -6.843 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.704 -10.552 -7.409 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.431 -8.901 -7.743 1.00 0.00 C ATOM 0 H THR A 112 -9.855 -9.762 -6.041 1.00 0.00 H new ATOM 0 HA THR A 112 -11.295 -7.650 -7.590 1.00 0.00 H new ATOM 0 HB THR A 112 -12.694 -9.629 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.381 -11.256 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.184 -9.683 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.884 -8.011 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 112 -13.035 -8.660 -8.730 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.235 -6.434 -5.497 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.475 -5.638 -4.261 1.00 0.00 C ATOM 1702 C ALA A 113 -12.848 -6.585 -3.127 1.00 0.00 C ATOM 1703 O ALA A 113 -12.436 -6.407 -1.998 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.612 -4.642 -4.494 1.00 0.00 C ATOM 0 H ALA A 113 -12.693 -6.087 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.571 -5.087 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.781 -4.064 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.345 -3.968 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.522 -5.183 -4.755 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.602 -7.605 -3.417 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.963 -8.563 -2.345 1.00 0.00 C ATOM 1712 C ALA A 114 -12.688 -9.276 -1.908 1.00 0.00 C ATOM 1713 O ALA A 114 -12.508 -9.598 -0.750 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.985 -9.574 -2.869 1.00 0.00 C ATOM 0 H ALA A 114 -13.980 -7.814 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.410 -8.040 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.244 -10.274 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.882 -9.048 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.558 -10.121 -3.709 1.00 0.00 H new ATOM 1720 N THR A 115 -11.787 -9.496 -2.825 1.00 0.00 N ATOM 1721 CA THR A 115 -10.506 -10.153 -2.460 1.00 0.00 C ATOM 1722 C THR A 115 -9.667 -9.144 -1.673 1.00 0.00 C ATOM 1723 O THR A 115 -9.465 -9.316 -0.487 1.00 0.00 O ATOM 1724 CB THR A 115 -9.770 -10.592 -3.720 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.587 -11.493 -4.454 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.455 -11.282 -3.345 1.00 0.00 C ATOM 0 H THR A 115 -11.884 -9.249 -3.810 1.00 0.00 H new ATOM 0 HA THR A 115 -10.690 -11.039 -1.852 1.00 0.00 H new ATOM 0 HB THR A 115 -9.551 -9.716 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 115 -10.116 -11.775 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.936 -11.592 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.827 -10.588 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.666 -12.157 -2.730 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.185 -8.081 -2.300 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.393 -7.084 -1.526 1.00 0.00 C ATOM 1736 C LEU A 116 -9.092 -6.811 -0.189 1.00 0.00 C ATOM 1737 O LEU A 116 -8.457 -6.639 0.832 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.307 -5.776 -2.309 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.004 -5.052 -1.949 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.795 -5.799 -2.523 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.030 -3.635 -2.518 1.00 0.00 C ATOM 0 H LEU A 116 -9.308 -7.874 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.391 -7.477 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.340 -5.977 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.164 -5.143 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.918 -5.017 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.880 -5.270 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.763 -6.808 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.881 -5.851 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.103 -3.123 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.131 -3.680 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.875 -3.089 -2.097 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.401 -6.771 -0.189 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.138 -6.511 1.078 1.00 0.00 C ATOM 1755 C GLU A 117 -10.734 -7.548 2.129 1.00 0.00 C ATOM 1756 O GLU A 117 -10.152 -7.225 3.145 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.647 -6.594 0.803 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.445 -6.850 2.094 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.093 -5.808 3.162 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -11.930 -5.705 3.512 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.002 -5.137 3.622 1.00 0.00 O ATOM 0 H GLU A 117 -10.988 -6.907 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.893 -5.518 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.985 -5.665 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.844 -7.393 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.513 -6.813 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.229 -7.850 2.469 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.057 -8.789 1.893 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.720 -9.866 2.872 1.00 0.00 C ATOM 1770 C GLU A 118 -9.303 -9.665 3.417 1.00 0.00 C ATOM 1771 O GLU A 118 -9.091 -9.622 4.613 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.808 -11.226 2.182 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.813 -12.109 2.923 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.817 -13.509 2.307 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.015 -13.745 1.419 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.622 -14.320 2.733 1.00 0.00 O ATOM 0 H GLU A 118 -11.545 -9.108 1.056 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.428 -9.824 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.115 -11.100 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.828 -11.703 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.552 -12.166 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.810 -11.672 2.864 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.331 -9.548 2.556 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.934 -9.359 3.038 1.00 0.00 C ATOM 1785 C LYS A 119 -6.860 -8.115 3.930 1.00 0.00 C ATOM 1786 O LYS A 119 -6.369 -8.164 5.042 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.999 -9.187 1.838 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.998 -10.473 1.006 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.900 -11.413 1.514 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.546 -10.999 0.928 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.215 -11.883 -0.225 1.00 0.00 N ATOM 0 H LYS A 119 -8.443 -9.575 1.542 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.629 -10.233 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.325 -8.345 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.989 -8.961 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.970 -10.962 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.832 -10.238 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.859 -11.383 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.129 -12.440 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.580 -9.959 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.770 -11.071 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.184 -11.912 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.568 -12.843 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.662 -11.511 -1.087 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.340 -7.000 3.453 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.291 -5.760 4.278 1.00 0.00 C ATOM 1807 C LEU A 120 -7.965 -6.016 5.625 1.00 0.00 C ATOM 1808 O LEU A 120 -7.356 -5.908 6.670 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.030 -4.632 3.557 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.847 -3.323 4.332 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.208 -2.268 3.427 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.210 -2.818 4.814 1.00 0.00 C ATOM 0 H LEU A 120 -7.763 -6.894 2.531 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.250 -5.475 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.647 -4.523 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.090 -4.872 3.474 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.199 -3.504 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.081 -1.340 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.236 -2.623 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.852 -2.089 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.079 -1.887 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.858 -2.643 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.665 -3.564 5.465 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.225 -6.346 5.607 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.949 -6.604 6.883 1.00 0.00 C ATOM 1826 C ASN A 121 -9.142 -7.571 7.750 1.00 0.00 C ATOM 1827 O ASN A 121 -9.107 -7.456 8.959 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.318 -7.215 6.576 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.411 -6.177 6.836 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.203 -4.997 6.639 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.576 -6.570 7.271 1.00 0.00 N ATOM 0 H ASN A 121 -9.787 -6.449 4.762 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.079 -5.664 7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.356 -7.546 5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.483 -8.095 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.312 -5.886 7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.751 -7.561 7.436 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.492 -8.523 7.142 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.689 -9.500 7.931 1.00 0.00 C ATOM 1840 C LYS A 122 -6.553 -8.768 8.650 1.00 0.00 C ATOM 1841 O LYS A 122 -6.099 -9.182 9.698 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.102 -10.556 6.990 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.920 -11.847 7.088 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.540 -12.597 8.367 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.576 -13.733 8.024 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.313 -14.809 7.302 1.00 0.00 N ATOM 0 H LYS A 122 -8.482 -8.668 6.132 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.330 -9.985 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.109 -10.187 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.062 -10.752 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.985 -11.616 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.734 -12.475 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.075 -11.914 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.434 -12.996 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.760 -13.358 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.128 -14.132 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.841 -15.722 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.290 -14.857 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.322 -14.600 6.283 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.086 -7.686 8.091 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.976 -6.929 8.741 1.00 0.00 C ATOM 1862 C ILE A 123 -5.528 -6.054 9.866 1.00 0.00 C ATOM 1863 O ILE A 123 -5.007 -6.036 10.963 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.299 -6.033 7.702 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.275 -6.861 6.916 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.594 -4.866 8.408 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.729 -6.047 5.738 1.00 0.00 C ATOM 0 H ILE A 123 -6.424 -7.292 7.213 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.256 -7.637 9.152 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.047 -5.634 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.457 -7.159 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.740 -7.776 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.113 -4.229 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.326 -4.283 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.842 -5.256 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.003 -6.645 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.549 -5.771 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.246 -5.144 6.112 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.564 -5.311 9.599 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.131 -4.420 10.645 1.00 0.00 C ATOM 1881 C PHE A 124 -7.474 -5.226 11.897 1.00 0.00 C ATOM 1882 O PHE A 124 -7.816 -4.672 12.923 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.376 -3.732 10.096 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.946 -2.490 9.357 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.642 -2.559 7.992 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -7.837 -1.270 10.038 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.231 -1.409 7.310 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.427 -0.121 9.353 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.126 -0.194 7.989 1.00 0.00 C ATOM 0 H PHE A 124 -7.043 -5.283 8.699 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.394 -3.665 10.918 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -8.917 -4.403 9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.056 -3.474 10.908 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.725 -3.499 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.069 -1.217 11.091 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.995 -1.461 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.343 0.820 9.876 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.811 0.693 7.459 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.365 -6.524 11.837 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.664 -7.337 13.046 1.00 0.00 C ATOM 1901 C GLU A 125 -6.553 -7.095 14.065 1.00 0.00 C ATOM 1902 O GLU A 125 -6.757 -7.180 15.260 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.716 -8.821 12.674 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.155 -9.327 12.794 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.260 -10.720 12.169 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.708 -10.911 11.098 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.891 -11.572 12.771 1.00 0.00 O ATOM 0 H GLU A 125 -7.084 -7.052 11.011 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.629 -7.052 13.465 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.352 -8.965 11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.062 -9.395 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.453 -9.364 13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.836 -8.640 12.293 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.379 -6.774 13.593 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.249 -6.498 14.518 1.00 0.00 C ATOM 1916 C LYS A 126 -4.262 -5.008 14.865 1.00 0.00 C ATOM 1917 O LYS A 126 -3.798 -4.595 15.910 1.00 0.00 O ATOM 1918 CB LYS A 126 -2.925 -6.865 13.836 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.419 -5.683 13.003 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.380 -6.176 11.995 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.541 -4.993 11.507 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.249 -5.155 10.055 1.00 0.00 N ATOM 0 H LYS A 126 -5.156 -6.691 12.601 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.351 -7.092 15.427 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.183 -7.136 14.587 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.065 -7.737 13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.251 -5.210 12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -1.979 -4.927 13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.737 -6.926 12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.876 -6.657 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.076 -4.059 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.390 -4.936 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.240 -4.222 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.679 -5.608 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.983 -5.748 9.617 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.804 -4.198 13.993 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.867 -2.735 14.264 1.00 0.00 C ATOM 1938 C LEU A 127 -6.030 -2.459 15.219 1.00 0.00 C ATOM 1939 O LEU A 127 -6.029 -1.493 15.955 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.084 -1.975 12.949 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.309 -0.655 12.979 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.533 0.103 11.669 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.800 0.203 14.148 1.00 0.00 C ATOM 0 H LEU A 127 -5.206 -4.490 13.102 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.932 -2.402 14.715 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.752 -2.583 12.108 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.146 -1.780 12.802 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.247 -0.866 13.101 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.980 1.042 11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.183 -0.503 10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.596 0.311 11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.247 1.142 14.168 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.863 0.410 14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.640 -0.332 15.084 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.024 -3.309 15.217 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.185 -3.101 16.127 1.00 0.00 C ATOM 1957 C GLY A 128 -8.758 -1.698 15.920 1.00 0.00 C ATOM 1958 O GLY A 128 -8.466 -0.781 16.662 1.00 0.00 O ATOM 0 H GLY A 128 -7.080 -4.137 14.624 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.952 -3.850 15.931 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.874 -3.228 17.164 1.00 0.00 H new ATOM 1962 N MET A 129 -9.572 -1.523 14.916 1.00 0.00 N ATOM 1963 CA MET A 129 -10.164 -0.180 14.663 1.00 0.00 C ATOM 1964 C MET A 129 -11.484 -0.052 15.426 1.00 0.00 C ATOM 1965 O MET A 129 -11.892 -1.028 16.032 1.00 0.00 O ATOM 1966 CB MET A 129 -10.425 -0.011 13.164 1.00 0.00 C ATOM 1967 CG MET A 129 -10.662 -1.383 12.527 1.00 0.00 C ATOM 1968 SD MET A 129 -11.945 -2.265 13.449 1.00 0.00 S ATOM 1969 CE MET A 129 -11.940 -3.776 12.452 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.064 1.021 15.391 1.00 0.00 O ATOM 0 H MET A 129 -9.853 -2.252 14.260 1.00 0.00 H new ATOM 0 HA MET A 129 -9.472 0.591 15.001 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.292 0.630 13.005 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.575 0.480 12.690 1.00 0.00 H new ATOM 0 HG2 MET A 129 -10.964 -1.265 11.486 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.737 -1.960 12.527 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.674 -4.477 12.850 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.194 -3.532 11.420 1.00 0.00 H new ATOM 0 HE3 MET A 129 -10.950 -4.230 12.484 1.00 0.00 H new