USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.406 K(o=-0.41,f=-2.4!) USER MOD Set 1.3: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 81 GLN : amide:sc= -2.05 X(o=-2.4,f=-2.7!) USER MOD Set 2.2: A 86 TYR OH : rot 50:sc= -0.301 USER MOD Set 3.1: A 35 THR OG1 : rot 1:sc= -0.311 USER MOD Set 3.2: A 45 TYR OH : rot 80:sc= -0.51 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0674 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0996 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -167:sc= 0.833 USER MOD Single : A 14 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.019) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0244 (180deg=-0.225) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.334) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 40 TYR OH : rot -50:sc= 0.0066 USER MOD Single : A 41 SER OG : rot 65:sc= 1.17 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0.966 (180deg=0.441) USER MOD Single : A 52 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc=-0.00627 (180deg=-0.706) USER MOD Single : A 59 GLN : amide:sc= 0.041 X(o=0.041,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -114:sc= 0.149 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.11) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 46:sc= 0.378 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.330 0.460 22.024 1.00 0.00 N ATOM 2 CA GLY A 1 14.725 -0.859 22.034 1.00 0.00 C ATOM 3 C GLY A 1 14.884 -1.580 20.710 1.00 0.00 C ATOM 4 O GLY A 1 15.198 -0.962 19.693 1.00 0.00 O ATOM 0 H1 GLY A 1 16.133 0.478 22.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.665 0.681 21.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.626 1.167 22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.177 -1.456 22.826 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.665 -0.767 22.269 1.00 0.00 H new ATOM 8 N SER A 2 14.668 -2.892 20.722 1.00 0.00 N ATOM 9 CA SER A 2 14.795 -3.699 19.514 1.00 0.00 C ATOM 10 C SER A 2 13.440 -4.258 19.091 1.00 0.00 C ATOM 11 O SER A 2 12.967 -5.252 19.642 1.00 0.00 O ATOM 12 CB SER A 2 15.784 -4.843 19.742 1.00 0.00 C ATOM 13 OG SER A 2 17.100 -4.351 19.922 1.00 0.00 O ATOM 0 H SER A 2 14.404 -3.418 21.555 1.00 0.00 H new ATOM 0 HA SER A 2 15.170 -3.059 18.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.484 -5.418 20.618 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.760 -5.524 18.891 1.00 0.00 H new ATOM 0 HG SER A 2 17.713 -5.102 20.068 1.00 0.00 H new ATOM 19 N SER A 3 12.821 -3.613 18.107 1.00 0.00 N ATOM 20 CA SER A 3 11.519 -4.042 17.611 1.00 0.00 C ATOM 21 C SER A 3 11.672 -5.152 16.575 1.00 0.00 C ATOM 22 O SER A 3 12.639 -5.178 15.815 1.00 0.00 O ATOM 23 CB SER A 3 10.767 -2.859 17.000 1.00 0.00 C ATOM 24 OG SER A 3 10.522 -1.854 17.969 1.00 0.00 O ATOM 0 H SER A 3 13.201 -2.791 17.638 1.00 0.00 H new ATOM 0 HA SER A 3 10.947 -4.431 18.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.347 -2.441 16.177 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.821 -3.203 16.581 1.00 0.00 H new ATOM 0 HG SER A 3 10.042 -1.108 17.553 1.00 0.00 H new ATOM 30 N GLY A 4 10.709 -6.069 16.552 1.00 0.00 N ATOM 31 CA GLY A 4 10.754 -7.169 15.607 1.00 0.00 C ATOM 32 C GLY A 4 9.417 -7.869 15.468 1.00 0.00 C ATOM 33 O GLY A 4 9.347 -9.098 15.485 1.00 0.00 O ATOM 0 H GLY A 4 9.899 -6.069 17.171 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.067 -6.794 14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.506 -7.889 15.928 1.00 0.00 H new ATOM 37 N SER A 5 8.352 -7.085 15.331 1.00 0.00 N ATOM 38 CA SER A 5 7.009 -7.637 15.194 1.00 0.00 C ATOM 39 C SER A 5 7.025 -8.898 14.334 1.00 0.00 C ATOM 40 O SER A 5 7.931 -9.099 13.524 1.00 0.00 O ATOM 41 CB SER A 5 6.068 -6.599 14.580 1.00 0.00 C ATOM 42 OG SER A 5 6.264 -6.499 13.180 1.00 0.00 O ATOM 0 H SER A 5 8.393 -6.066 15.312 1.00 0.00 H new ATOM 0 HA SER A 5 6.648 -7.901 16.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.034 -6.874 14.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.239 -5.628 15.045 1.00 0.00 H new ATOM 0 HG SER A 5 5.650 -5.831 12.811 1.00 0.00 H new ATOM 48 N SER A 6 6.017 -9.744 14.516 1.00 0.00 N ATOM 49 CA SER A 6 5.915 -10.987 13.760 1.00 0.00 C ATOM 50 C SER A 6 5.416 -10.722 12.343 1.00 0.00 C ATOM 51 O SER A 6 6.013 -11.174 11.368 1.00 0.00 O ATOM 52 CB SER A 6 4.977 -11.965 14.470 1.00 0.00 C ATOM 53 OG SER A 6 3.682 -11.409 14.623 1.00 0.00 O ATOM 0 H SER A 6 5.259 -9.592 15.181 1.00 0.00 H new ATOM 0 HA SER A 6 6.910 -11.429 13.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.913 -12.892 13.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.385 -12.220 15.448 1.00 0.00 H new ATOM 0 HG SER A 6 3.101 -12.054 15.078 1.00 0.00 H new ATOM 59 N GLY A 7 4.314 -9.985 12.239 1.00 0.00 N ATOM 60 CA GLY A 7 3.751 -9.673 10.939 1.00 0.00 C ATOM 61 C GLY A 7 3.115 -10.879 10.276 1.00 0.00 C ATOM 62 O GLY A 7 3.485 -11.251 9.163 1.00 0.00 O ATOM 0 H GLY A 7 3.802 -9.599 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.004 -8.887 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.535 -9.279 10.293 1.00 0.00 H new ATOM 66 N MET A 8 2.158 -11.494 10.964 1.00 0.00 N ATOM 67 CA MET A 8 1.471 -12.666 10.435 1.00 0.00 C ATOM 68 C MET A 8 -0.018 -12.387 10.251 1.00 0.00 C ATOM 69 O MET A 8 -0.760 -12.265 11.225 1.00 0.00 O ATOM 70 CB MET A 8 1.666 -13.862 11.368 1.00 0.00 C ATOM 71 CG MET A 8 2.964 -14.616 11.126 1.00 0.00 C ATOM 72 SD MET A 8 3.287 -15.865 12.386 1.00 0.00 S ATOM 73 CE MET A 8 3.327 -17.351 11.387 1.00 0.00 C ATOM 0 H MET A 8 1.841 -11.200 11.888 1.00 0.00 H new ATOM 0 HA MET A 8 1.902 -12.900 9.461 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.645 -13.514 12.401 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.828 -14.548 11.245 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.925 -15.094 10.147 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.792 -13.908 11.101 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.518 -18.214 12.025 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.368 -17.477 10.884 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.119 -17.268 10.643 1.00 0.00 H new ATOM 83 N SER A 9 -0.447 -12.287 8.997 1.00 0.00 N ATOM 84 CA SER A 9 -1.846 -12.018 8.687 1.00 0.00 C ATOM 85 C SER A 9 -2.491 -13.218 8.001 1.00 0.00 C ATOM 86 O SER A 9 -1.943 -13.769 7.044 1.00 0.00 O ATOM 87 CB SER A 9 -1.964 -10.781 7.794 1.00 0.00 C ATOM 88 OG SER A 9 -1.261 -9.683 8.349 1.00 0.00 O ATOM 0 H SER A 9 0.154 -12.388 8.179 1.00 0.00 H new ATOM 0 HA SER A 9 -2.371 -11.832 9.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.570 -11.005 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.014 -10.518 7.668 1.00 0.00 H new ATOM 0 HG SER A 9 -1.350 -8.906 7.759 1.00 0.00 H new ATOM 94 N LEU A 10 -3.657 -13.618 8.495 1.00 0.00 N ATOM 95 CA LEU A 10 -4.378 -14.753 7.930 1.00 0.00 C ATOM 96 C LEU A 10 -5.397 -14.290 6.894 1.00 0.00 C ATOM 97 O LEU A 10 -6.605 -14.371 7.118 1.00 0.00 O ATOM 98 CB LEU A 10 -5.081 -15.538 9.039 1.00 0.00 C ATOM 99 CG LEU A 10 -5.618 -14.713 10.209 1.00 0.00 C ATOM 100 CD1 LEU A 10 -6.712 -15.474 10.941 1.00 0.00 C ATOM 101 CD2 LEU A 10 -4.491 -14.346 11.163 1.00 0.00 C ATOM 0 H LEU A 10 -4.123 -13.173 9.286 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.655 -15.402 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.912 -16.088 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.383 -16.277 9.432 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.047 -13.792 9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.082 -14.871 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.530 -15.686 10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.309 -16.411 11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.891 -13.759 11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.033 -15.255 11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.741 -13.760 10.632 1.00 0.00 H new ATOM 113 N SER A 11 -4.902 -13.807 5.759 1.00 0.00 N ATOM 114 CA SER A 11 -5.770 -13.329 4.689 1.00 0.00 C ATOM 115 C SER A 11 -5.370 -13.944 3.351 1.00 0.00 C ATOM 116 O SER A 11 -4.186 -14.123 3.067 1.00 0.00 O ATOM 117 CB SER A 11 -5.712 -11.803 4.600 1.00 0.00 C ATOM 118 OG SER A 11 -5.977 -11.208 5.858 1.00 0.00 O ATOM 0 H SER A 11 -3.905 -13.736 5.557 1.00 0.00 H new ATOM 0 HA SER A 11 -6.791 -13.633 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.728 -11.493 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.438 -11.451 3.867 1.00 0.00 H new ATOM 0 HG SER A 11 -6.134 -10.248 5.739 1.00 0.00 H new ATOM 124 N ASP A 12 -6.367 -14.264 2.533 1.00 0.00 N ATOM 125 CA ASP A 12 -6.121 -14.857 1.224 1.00 0.00 C ATOM 126 C ASP A 12 -5.747 -13.787 0.204 1.00 0.00 C ATOM 127 O ASP A 12 -4.829 -13.971 -0.595 1.00 0.00 O ATOM 128 CB ASP A 12 -7.356 -15.624 0.748 1.00 0.00 C ATOM 129 CG ASP A 12 -7.043 -16.578 -0.388 1.00 0.00 C ATOM 130 OD1 ASP A 12 -6.060 -16.329 -1.118 1.00 0.00 O ATOM 131 OD2 ASP A 12 -7.780 -17.573 -0.547 1.00 0.00 O ATOM 0 H ASP A 12 -7.353 -14.123 2.753 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.286 -15.551 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.777 -16.184 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.118 -14.915 0.424 1.00 0.00 H new ATOM 136 N TRP A 13 -6.465 -12.670 0.236 1.00 0.00 N ATOM 137 CA TRP A 13 -6.209 -11.570 -0.687 1.00 0.00 C ATOM 138 C TRP A 13 -4.794 -11.030 -0.512 1.00 0.00 C ATOM 139 O TRP A 13 -4.391 -10.666 0.593 1.00 0.00 O ATOM 140 CB TRP A 13 -7.226 -10.449 -0.472 1.00 0.00 C ATOM 141 CG TRP A 13 -6.951 -9.230 -1.299 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.814 -8.474 -1.290 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.830 -8.625 -2.254 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.933 -7.435 -2.182 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.160 -7.507 -2.787 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.116 -8.921 -2.712 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.735 -6.685 -3.753 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.686 -8.105 -3.671 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.996 -6.998 -4.183 1.00 0.00 C ATOM 0 H TRP A 13 -7.229 -12.502 0.891 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.309 -11.951 -1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.222 -10.822 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.232 -10.171 0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.948 -8.664 -0.673 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.223 -6.726 -2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.655 -9.772 -2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.205 -5.831 -4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.680 -8.324 -4.032 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.469 -6.380 -4.932 1.00 0.00 H new ATOM 160 N HIS A 14 -4.043 -10.981 -1.608 1.00 0.00 N ATOM 161 CA HIS A 14 -2.673 -10.484 -1.574 1.00 0.00 C ATOM 162 C HIS A 14 -2.458 -9.409 -2.636 1.00 0.00 C ATOM 163 O HIS A 14 -3.263 -9.262 -3.557 1.00 0.00 O ATOM 164 CB HIS A 14 -1.686 -11.632 -1.787 1.00 0.00 C ATOM 165 CG HIS A 14 -1.358 -11.880 -3.227 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.033 -12.797 -4.006 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.421 -11.324 -4.031 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.524 -12.795 -5.225 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.545 -11.910 -5.267 1.00 0.00 N ATOM 0 H HIS A 14 -4.361 -11.279 -2.530 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.498 -10.041 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.765 -11.414 -1.245 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.102 -12.543 -1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.291 -10.562 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.853 -13.413 -6.048 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.026 -11.696 -6.084 1.00 0.00 H new ATOM 178 N LEU A 15 -1.369 -8.660 -2.501 1.00 0.00 N ATOM 179 CA LEU A 15 -1.049 -7.598 -3.448 1.00 0.00 C ATOM 180 C LEU A 15 0.461 -7.433 -3.591 1.00 0.00 C ATOM 181 O LEU A 15 1.226 -7.855 -2.725 1.00 0.00 O ATOM 182 CB LEU A 15 -1.677 -6.279 -2.997 1.00 0.00 C ATOM 183 CG LEU A 15 -1.796 -5.192 -4.066 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.820 -5.588 -5.119 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.168 -3.859 -3.433 1.00 0.00 C ATOM 0 H LEU A 15 -0.693 -8.769 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.459 -7.875 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.673 -6.488 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.088 -5.884 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.827 -5.082 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.891 -4.802 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.511 -6.519 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.792 -5.727 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.248 -3.098 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.124 -3.955 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.398 -3.569 -2.718 1.00 0.00 H new ATOM 197 N ALA A 16 0.882 -6.814 -4.689 1.00 0.00 N ATOM 198 CA ALA A 16 2.300 -6.589 -4.943 1.00 0.00 C ATOM 199 C ALA A 16 2.674 -5.129 -4.713 1.00 0.00 C ATOM 200 O ALA A 16 1.833 -4.237 -4.826 1.00 0.00 O ATOM 201 CB ALA A 16 2.655 -7.009 -6.362 1.00 0.00 C ATOM 0 H ALA A 16 0.262 -6.459 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 16 2.870 -7.198 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.717 -6.836 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.434 -8.068 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.069 -6.425 -7.072 1.00 0.00 H new ATOM 207 N VAL A 17 3.941 -4.892 -4.388 1.00 0.00 N ATOM 208 CA VAL A 17 4.426 -3.539 -4.141 1.00 0.00 C ATOM 209 C VAL A 17 5.791 -3.320 -4.784 1.00 0.00 C ATOM 210 O VAL A 17 6.551 -4.265 -4.994 1.00 0.00 O ATOM 211 CB VAL A 17 4.528 -3.246 -2.633 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.185 -1.894 -2.395 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.153 -3.301 -1.985 1.00 0.00 C ATOM 0 H VAL A 17 4.650 -5.619 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 17 3.703 -2.856 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 17 5.152 -4.013 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.249 -1.704 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.187 -1.896 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.590 -1.112 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.244 -3.091 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.503 -2.557 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.725 -4.294 -2.124 1.00 0.00 H new ATOM 223 N LYS A 18 6.097 -2.065 -5.095 1.00 0.00 N ATOM 224 CA LYS A 18 7.372 -1.718 -5.713 1.00 0.00 C ATOM 225 C LYS A 18 7.818 -0.321 -5.294 1.00 0.00 C ATOM 226 O LYS A 18 7.043 0.635 -5.358 1.00 0.00 O ATOM 227 CB LYS A 18 7.260 -1.793 -7.238 1.00 0.00 C ATOM 228 CG LYS A 18 7.563 -3.170 -7.803 1.00 0.00 C ATOM 229 CD LYS A 18 9.060 -3.409 -7.916 1.00 0.00 C ATOM 230 CE LYS A 18 9.655 -2.665 -9.101 1.00 0.00 C ATOM 231 NZ LYS A 18 9.213 -3.246 -10.400 1.00 0.00 N ATOM 0 H LYS A 18 5.479 -1.271 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 18 8.119 -2.436 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.253 -1.501 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.945 -1.069 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.119 -3.933 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.102 -3.271 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.551 -3.086 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.252 -4.477 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.363 -1.616 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.743 -2.697 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.843 -2.917 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.248 -4.284 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.239 -2.943 -10.602 1.00 0.00 H new ATOM 245 N LEU A 19 9.070 -0.209 -4.865 1.00 0.00 N ATOM 246 CA LEU A 19 9.620 1.073 -4.437 1.00 0.00 C ATOM 247 C LEU A 19 10.055 1.907 -5.637 1.00 0.00 C ATOM 248 O LEU A 19 11.140 1.708 -6.183 1.00 0.00 O ATOM 249 CB LEU A 19 10.807 0.852 -3.497 1.00 0.00 C ATOM 250 CG LEU A 19 11.261 2.070 -2.691 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.161 2.522 -1.743 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.535 1.756 -1.922 1.00 0.00 C ATOM 0 H LEU A 19 9.724 -0.990 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 19 8.839 1.616 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.549 0.055 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.651 0.497 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 19 11.471 2.884 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.502 3.390 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.273 2.788 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.919 1.713 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.843 2.634 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.352 0.927 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.324 1.481 -2.622 1.00 0.00 H new ATOM 264 N ALA A 20 9.203 2.843 -6.041 1.00 0.00 N ATOM 265 CA ALA A 20 9.501 3.711 -7.173 1.00 0.00 C ATOM 266 C ALA A 20 10.858 4.386 -7.005 1.00 0.00 C ATOM 267 O ALA A 20 11.570 4.622 -7.981 1.00 0.00 O ATOM 268 CB ALA A 20 8.407 4.755 -7.340 1.00 0.00 C ATOM 0 H ALA A 20 8.300 3.020 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 20 9.540 3.095 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.643 5.396 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.453 4.258 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.340 5.360 -6.436 1.00 0.00 H new ATOM 274 N ASP A 21 11.209 4.696 -5.762 1.00 0.00 N ATOM 275 CA ASP A 21 12.482 5.344 -5.466 1.00 0.00 C ATOM 276 C ASP A 21 13.652 4.436 -5.831 1.00 0.00 C ATOM 277 O ASP A 21 14.688 4.904 -6.304 1.00 0.00 O ATOM 278 CB ASP A 21 12.555 5.720 -3.985 1.00 0.00 C ATOM 279 CG ASP A 21 13.547 6.835 -3.719 1.00 0.00 C ATOM 280 OD1 ASP A 21 13.181 8.013 -3.912 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.690 6.529 -3.318 1.00 0.00 O ATOM 0 H ASP A 21 10.630 4.509 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 21 12.548 6.251 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.567 6.027 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.835 4.842 -3.404 1.00 0.00 H new ATOM 286 N GLN A 22 13.479 3.138 -5.608 1.00 0.00 N ATOM 287 CA GLN A 22 14.522 2.165 -5.912 1.00 0.00 C ATOM 288 C GLN A 22 13.991 1.066 -6.826 1.00 0.00 C ATOM 289 O GLN A 22 13.425 0.070 -6.376 1.00 0.00 O ATOM 290 CB GLN A 22 15.069 1.552 -4.622 1.00 0.00 C ATOM 291 CG GLN A 22 15.687 2.571 -3.678 1.00 0.00 C ATOM 292 CD GLN A 22 16.534 1.928 -2.598 1.00 0.00 C ATOM 293 OE1 GLN A 22 15.884 1.234 -1.670 1.00 0.00 O flip ATOM 294 NE2 GLN A 22 17.759 2.053 -2.596 1.00 0.00 N flip ATOM 0 H GLN A 22 12.627 2.735 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 22 15.329 2.684 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.261 1.033 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.819 0.802 -4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.302 3.265 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.894 3.157 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.218 2.595 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.315 1.614 -1.862 1.00 0.00 H new ATOM 303 N PRO A 23 14.177 1.249 -8.142 1.00 0.00 N ATOM 304 CA PRO A 23 13.724 0.283 -9.147 1.00 0.00 C ATOM 305 C PRO A 23 14.532 -1.011 -9.113 1.00 0.00 C ATOM 306 O PRO A 23 14.119 -2.027 -9.675 1.00 0.00 O ATOM 307 CB PRO A 23 13.947 1.018 -10.471 1.00 0.00 C ATOM 308 CG PRO A 23 15.032 1.998 -10.183 1.00 0.00 C ATOM 309 CD PRO A 23 14.844 2.412 -8.749 1.00 0.00 C ATOM 0 HA PRO A 23 12.691 -0.023 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.237 0.328 -11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.038 1.520 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.014 1.549 -10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.968 2.858 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.797 2.627 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.235 3.312 -8.667 1.00 0.00 H new ATOM 317 N LEU A 24 15.683 -0.967 -8.452 1.00 0.00 N ATOM 318 CA LEU A 24 16.549 -2.136 -8.345 1.00 0.00 C ATOM 319 C LEU A 24 16.067 -3.070 -7.239 1.00 0.00 C ATOM 320 O LEU A 24 16.297 -4.278 -7.289 1.00 0.00 O ATOM 321 CB LEU A 24 17.990 -1.704 -8.072 1.00 0.00 C ATOM 322 CG LEU A 24 18.574 -0.668 -9.033 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.637 0.168 -8.336 1.00 0.00 C ATOM 324 CD2 LEU A 24 19.153 -1.350 -10.265 1.00 0.00 C ATOM 0 H LEU A 24 16.039 -0.135 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 24 16.511 -2.674 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.042 -1.302 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.624 -2.590 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 24 17.771 -0.004 -9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 20.041 0.900 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.193 0.686 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.440 -0.482 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.564 -0.598 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.943 -2.037 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.367 -1.904 -10.777 1.00 0.00 H new ATOM 336 N ALA A 25 15.397 -2.502 -6.242 1.00 0.00 N ATOM 337 CA ALA A 25 14.879 -3.284 -5.126 1.00 0.00 C ATOM 338 C ALA A 25 13.842 -4.296 -5.599 1.00 0.00 C ATOM 339 O ALA A 25 13.083 -4.050 -6.538 1.00 0.00 O ATOM 340 CB ALA A 25 14.281 -2.366 -4.070 1.00 0.00 C ATOM 0 H ALA A 25 15.200 -1.503 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 25 15.710 -3.834 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.898 -2.964 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.049 -1.686 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.466 -1.789 -4.508 1.00 0.00 H new ATOM 346 N PRO A 26 13.805 -5.461 -4.937 1.00 0.00 N ATOM 347 CA PRO A 26 12.865 -6.534 -5.273 1.00 0.00 C ATOM 348 C PRO A 26 11.426 -6.176 -4.918 1.00 0.00 C ATOM 349 O PRO A 26 11.173 -5.191 -4.224 1.00 0.00 O ATOM 350 CB PRO A 26 13.348 -7.710 -4.421 1.00 0.00 C ATOM 351 CG PRO A 26 14.055 -7.080 -3.271 1.00 0.00 C ATOM 352 CD PRO A 26 14.680 -5.822 -3.808 1.00 0.00 C ATOM 0 HA PRO A 26 12.851 -6.742 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.513 -8.324 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.014 -8.361 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.361 -6.856 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.813 -7.750 -2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.709 -5.035 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.707 -5.991 -4.133 1.00 0.00 H new ATOM 360 N LYS A 27 10.484 -6.981 -5.398 1.00 0.00 N ATOM 361 CA LYS A 27 9.070 -6.751 -5.131 1.00 0.00 C ATOM 362 C LYS A 27 8.653 -7.395 -3.812 1.00 0.00 C ATOM 363 O LYS A 27 9.120 -8.481 -3.467 1.00 0.00 O ATOM 364 CB LYS A 27 8.216 -7.305 -6.273 1.00 0.00 C ATOM 365 CG LYS A 27 6.728 -7.319 -5.970 1.00 0.00 C ATOM 366 CD LYS A 27 6.024 -8.460 -6.684 1.00 0.00 C ATOM 367 CE LYS A 27 5.495 -8.026 -8.043 1.00 0.00 C ATOM 368 NZ LYS A 27 6.589 -7.885 -9.044 1.00 0.00 N ATOM 0 H LYS A 27 10.675 -7.800 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 27 8.911 -5.675 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.390 -6.708 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.542 -8.320 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.576 -7.412 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.285 -6.370 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.715 -9.293 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.199 -8.821 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.768 -8.756 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.970 -7.076 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.184 -7.874 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.102 -6.996 -8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.246 -8.686 -8.955 1.00 0.00 H new ATOM 382 N SER A 28 7.772 -6.720 -3.081 1.00 0.00 N ATOM 383 CA SER A 28 7.295 -7.227 -1.799 1.00 0.00 C ATOM 384 C SER A 28 5.782 -7.422 -1.822 1.00 0.00 C ATOM 385 O SER A 28 5.037 -6.536 -2.241 1.00 0.00 O ATOM 386 CB SER A 28 7.680 -6.266 -0.672 1.00 0.00 C ATOM 387 OG SER A 28 8.959 -6.580 -0.150 1.00 0.00 O ATOM 0 H SER A 28 7.374 -5.821 -3.354 1.00 0.00 H new ATOM 0 HA SER A 28 7.766 -8.193 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.678 -5.242 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.936 -6.317 0.123 1.00 0.00 H new ATOM 0 HG SER A 28 9.183 -5.951 0.567 1.00 0.00 H new ATOM 393 N ILE A 29 5.336 -8.589 -1.369 1.00 0.00 N ATOM 394 CA ILE A 29 3.912 -8.901 -1.336 1.00 0.00 C ATOM 395 C ILE A 29 3.283 -8.457 -0.019 1.00 0.00 C ATOM 396 O ILE A 29 3.858 -8.650 1.053 1.00 0.00 O ATOM 397 CB ILE A 29 3.662 -10.408 -1.529 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.163 -10.858 -2.903 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.182 -10.724 -1.370 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.454 -10.183 -4.056 1.00 0.00 C ATOM 0 H ILE A 29 5.940 -9.334 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 29 3.450 -8.356 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 29 4.215 -10.954 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.232 -10.655 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.037 -11.937 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.021 -11.793 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.853 -10.435 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.610 -10.171 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.861 -10.550 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.388 -10.407 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.602 -9.105 -3.993 1.00 0.00 H new ATOM 412 N LEU A 30 2.097 -7.864 -0.107 1.00 0.00 N ATOM 413 CA LEU A 30 1.387 -7.395 1.077 1.00 0.00 C ATOM 414 C LEU A 30 -0.014 -7.993 1.145 1.00 0.00 C ATOM 415 O LEU A 30 -0.748 -7.990 0.157 1.00 0.00 O ATOM 416 CB LEU A 30 1.303 -5.867 1.073 1.00 0.00 C ATOM 417 CG LEU A 30 1.084 -5.204 2.433 1.00 0.00 C ATOM 418 CD1 LEU A 30 2.408 -5.023 3.159 1.00 0.00 C ATOM 419 CD2 LEU A 30 0.378 -3.865 2.266 1.00 0.00 C ATOM 0 H LEU A 30 1.607 -7.697 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 30 1.943 -7.720 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.224 -5.473 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.490 -5.569 0.411 1.00 0.00 H new ATOM 0 HG LEU A 30 0.450 -5.855 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.232 -4.550 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.875 -5.996 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.067 -4.394 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.230 -3.407 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.987 -3.207 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.589 -4.021 1.788 1.00 0.00 H new ATOM 431 N GLN A 31 -0.379 -8.502 2.317 1.00 0.00 N ATOM 432 CA GLN A 31 -1.693 -9.102 2.513 1.00 0.00 C ATOM 433 C GLN A 31 -2.538 -8.264 3.467 1.00 0.00 C ATOM 434 O GLN A 31 -2.138 -8.007 4.603 1.00 0.00 O ATOM 435 CB GLN A 31 -1.552 -10.526 3.055 1.00 0.00 C ATOM 436 CG GLN A 31 -0.766 -11.450 2.139 1.00 0.00 C ATOM 437 CD GLN A 31 -1.090 -12.913 2.370 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.488 -13.308 3.466 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.920 -13.728 1.335 1.00 0.00 N ATOM 0 H GLN A 31 0.217 -8.511 3.145 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.196 -9.137 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.061 -10.489 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.545 -10.945 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.979 -11.194 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.301 -11.289 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.588 -13.359 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.121 -14.723 1.431 1.00 0.00 H new ATOM 448 N LEU A 32 -3.706 -7.840 2.998 1.00 0.00 N ATOM 449 CA LEU A 32 -4.607 -7.029 3.809 1.00 0.00 C ATOM 450 C LEU A 32 -5.386 -7.899 4.791 1.00 0.00 C ATOM 451 O LEU A 32 -5.623 -9.084 4.556 1.00 0.00 O ATOM 452 CB LEU A 32 -5.578 -6.259 2.913 1.00 0.00 C ATOM 453 CG LEU A 32 -6.381 -7.096 1.917 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.704 -7.530 2.528 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.616 -6.315 0.632 1.00 0.00 C ATOM 0 H LEU A 32 -4.051 -8.044 2.060 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.006 -6.319 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.278 -5.719 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.012 -5.512 2.356 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.805 -7.990 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.261 -8.125 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.514 -8.128 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.286 -6.649 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.189 -6.926 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.170 -5.404 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.657 -6.055 0.184 1.00 0.00 H new ATOM 467 N PRO A 33 -5.795 -7.298 5.918 1.00 0.00 N ATOM 468 CA PRO A 33 -6.555 -7.998 6.958 1.00 0.00 C ATOM 469 C PRO A 33 -7.972 -8.339 6.509 1.00 0.00 C ATOM 470 O PRO A 33 -8.333 -8.131 5.351 1.00 0.00 O ATOM 471 CB PRO A 33 -6.587 -6.992 8.112 1.00 0.00 C ATOM 472 CG PRO A 33 -6.431 -5.662 7.460 1.00 0.00 C ATOM 473 CD PRO A 33 -5.547 -5.888 6.265 1.00 0.00 C ATOM 0 HA PRO A 33 -6.102 -8.954 7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.524 -7.054 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.783 -7.181 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.398 -5.259 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.984 -4.941 8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.805 -5.221 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.498 -5.711 6.502 1.00 0.00 H new ATOM 481 N GLU A 34 -8.771 -8.862 7.434 1.00 0.00 N ATOM 482 CA GLU A 34 -10.149 -9.232 7.131 1.00 0.00 C ATOM 483 C GLU A 34 -10.940 -8.025 6.634 1.00 0.00 C ATOM 484 O GLU A 34 -10.563 -6.878 6.878 1.00 0.00 O ATOM 485 CB GLU A 34 -10.825 -9.823 8.370 1.00 0.00 C ATOM 486 CG GLU A 34 -10.380 -11.241 8.688 1.00 0.00 C ATOM 487 CD GLU A 34 -11.098 -11.822 9.890 1.00 0.00 C ATOM 488 OE1 GLU A 34 -12.336 -11.675 9.971 1.00 0.00 O ATOM 489 OE2 GLU A 34 -10.423 -12.425 10.750 1.00 0.00 O ATOM 0 H GLU A 34 -8.488 -9.039 8.398 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.132 -9.983 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.615 -9.184 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.905 -9.814 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.558 -11.877 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.306 -11.248 8.873 1.00 0.00 H new ATOM 496 N THR A 35 -12.038 -8.292 5.935 1.00 0.00 N ATOM 497 CA THR A 35 -12.881 -7.229 5.401 1.00 0.00 C ATOM 498 C THR A 35 -14.241 -7.208 6.091 1.00 0.00 C ATOM 499 O THR A 35 -14.681 -8.215 6.645 1.00 0.00 O ATOM 500 CB THR A 35 -13.091 -7.387 3.884 1.00 0.00 C ATOM 501 OG1 THR A 35 -12.076 -6.669 3.172 1.00 0.00 O ATOM 502 CG2 THR A 35 -14.464 -6.878 3.471 1.00 0.00 C ATOM 0 H THR A 35 -12.365 -9.235 5.725 1.00 0.00 H new ATOM 0 HA THR A 35 -12.364 -6.289 5.593 1.00 0.00 H new ATOM 0 HB THR A 35 -13.026 -8.447 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.465 -6.247 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.589 -7.000 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.235 -7.446 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.554 -5.823 3.729 1.00 0.00 H new ATOM 510 N GLU A 36 -14.901 -6.055 6.052 1.00 0.00 N ATOM 511 CA GLU A 36 -16.211 -5.904 6.674 1.00 0.00 C ATOM 512 C GLU A 36 -17.225 -6.854 6.043 1.00 0.00 C ATOM 513 O GLU A 36 -17.947 -7.564 6.744 1.00 0.00 O ATOM 514 CB GLU A 36 -16.699 -4.459 6.544 1.00 0.00 C ATOM 515 CG GLU A 36 -16.187 -3.754 5.300 1.00 0.00 C ATOM 516 CD GLU A 36 -17.113 -2.647 4.834 1.00 0.00 C ATOM 517 OE1 GLU A 36 -18.333 -2.750 5.081 1.00 0.00 O ATOM 518 OE2 GLU A 36 -16.618 -1.678 4.222 1.00 0.00 O ATOM 0 H GLU A 36 -14.550 -5.212 5.597 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.114 -6.153 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.789 -4.452 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.386 -3.898 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.201 -3.336 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.065 -4.482 4.498 1.00 0.00 H new ATOM 525 N LEU A 37 -17.275 -6.859 4.716 1.00 0.00 N ATOM 526 CA LEU A 37 -18.201 -7.721 3.989 1.00 0.00 C ATOM 527 C LEU A 37 -17.713 -9.166 3.987 1.00 0.00 C ATOM 528 O LEU A 37 -18.249 -10.014 4.699 1.00 0.00 O ATOM 529 CB LEU A 37 -18.368 -7.225 2.551 1.00 0.00 C ATOM 530 CG LEU A 37 -19.501 -6.226 2.314 1.00 0.00 C ATOM 531 CD1 LEU A 37 -20.837 -6.827 2.720 1.00 0.00 C ATOM 532 CD2 LEU A 37 -19.242 -4.934 3.075 1.00 0.00 C ATOM 0 H LEU A 37 -16.686 -6.276 4.121 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.166 -7.684 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.432 -6.764 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.531 -8.089 1.906 1.00 0.00 H new ATOM 0 HG LEU A 37 -19.538 -5.996 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.631 -6.101 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.027 -7.723 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.812 -7.088 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -20.059 -4.235 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.176 -5.147 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.305 -4.493 2.735 1.00 0.00 H new ATOM 544 N GLY A 38 -16.691 -9.439 3.182 1.00 0.00 N ATOM 545 CA GLY A 38 -16.146 -10.782 3.103 1.00 0.00 C ATOM 546 C GLY A 38 -14.879 -10.846 2.275 1.00 0.00 C ATOM 547 O GLY A 38 -14.157 -9.856 2.155 1.00 0.00 O ATOM 0 H GLY A 38 -16.230 -8.754 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.937 -11.146 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.892 -11.449 2.671 1.00 0.00 H new ATOM 551 N GLU A 39 -14.606 -12.014 1.702 1.00 0.00 N ATOM 552 CA GLU A 39 -13.415 -12.203 0.882 1.00 0.00 C ATOM 553 C GLU A 39 -13.767 -12.176 -0.603 1.00 0.00 C ATOM 554 O GLU A 39 -13.000 -11.672 -1.424 1.00 0.00 O ATOM 555 CB GLU A 39 -12.734 -13.528 1.231 1.00 0.00 C ATOM 556 CG GLU A 39 -13.624 -14.743 1.028 1.00 0.00 C ATOM 557 CD GLU A 39 -12.863 -16.049 1.144 1.00 0.00 C ATOM 558 OE1 GLU A 39 -11.671 -16.077 0.773 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.460 -17.044 1.605 1.00 0.00 O ATOM 0 H GLU A 39 -15.193 -12.843 1.790 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.728 -11.383 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.838 -13.638 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.408 -13.496 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.427 -14.728 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.092 -14.686 0.045 1.00 0.00 H new ATOM 566 N TYR A 40 -14.931 -12.720 -0.939 1.00 0.00 N ATOM 567 CA TYR A 40 -15.383 -12.761 -2.325 1.00 0.00 C ATOM 568 C TYR A 40 -15.150 -11.420 -3.014 1.00 0.00 C ATOM 569 O TYR A 40 -15.077 -11.344 -4.240 1.00 0.00 O ATOM 570 CB TYR A 40 -16.867 -13.129 -2.388 1.00 0.00 C ATOM 571 CG TYR A 40 -17.642 -12.734 -1.151 1.00 0.00 C ATOM 572 CD1 TYR A 40 -17.593 -11.434 -0.663 1.00 0.00 C ATOM 573 CD2 TYR A 40 -18.423 -13.660 -0.472 1.00 0.00 C ATOM 574 CE1 TYR A 40 -18.299 -11.069 0.467 1.00 0.00 C ATOM 575 CE2 TYR A 40 -19.134 -13.304 0.658 1.00 0.00 C ATOM 576 CZ TYR A 40 -19.068 -12.007 1.124 1.00 0.00 C ATOM 577 OH TYR A 40 -19.774 -11.647 2.249 1.00 0.00 O ATOM 0 H TYR A 40 -15.579 -13.139 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.804 -13.522 -2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -17.316 -12.647 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -16.960 -14.205 -2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.993 -10.697 -1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -18.476 -14.676 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -18.249 -10.055 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -19.738 -14.036 1.173 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.181 -11.176 2.871 1.00 0.00 H new ATOM 587 N SER A 41 -15.034 -10.364 -2.215 1.00 0.00 N ATOM 588 CA SER A 41 -14.813 -9.024 -2.746 1.00 0.00 C ATOM 589 C SER A 41 -14.600 -8.020 -1.617 1.00 0.00 C ATOM 590 O SER A 41 -15.051 -8.231 -0.490 1.00 0.00 O ATOM 591 CB SER A 41 -15.999 -8.593 -3.611 1.00 0.00 C ATOM 592 OG SER A 41 -15.864 -9.074 -4.938 1.00 0.00 O ATOM 0 H SER A 41 -15.089 -10.411 -1.198 1.00 0.00 H new ATOM 0 HA SER A 41 -13.914 -9.048 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.925 -8.969 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.070 -7.505 -3.621 1.00 0.00 H new ATOM 0 HG SER A 41 -15.895 -10.054 -4.936 1.00 0.00 H new ATOM 598 N LEU A 42 -13.911 -6.928 -1.928 1.00 0.00 N ATOM 599 CA LEU A 42 -13.638 -5.890 -0.940 1.00 0.00 C ATOM 600 C LEU A 42 -14.397 -4.609 -1.272 1.00 0.00 C ATOM 601 O LEU A 42 -15.256 -4.169 -0.509 1.00 0.00 O ATOM 602 CB LEU A 42 -12.137 -5.603 -0.875 1.00 0.00 C ATOM 603 CG LEU A 42 -11.215 -6.815 -1.013 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.770 -6.420 -0.753 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.646 -7.924 -0.063 1.00 0.00 C ATOM 0 H LEU A 42 -13.531 -6.738 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.976 -6.250 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.889 -4.892 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.922 -5.114 0.075 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.289 -7.189 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.129 -7.296 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.465 -5.661 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.678 -6.020 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.979 -8.779 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.602 -7.561 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.666 -8.227 -0.297 1.00 0.00 H new ATOM 617 N GLY A 43 -14.076 -4.016 -2.418 1.00 0.00 N ATOM 618 CA GLY A 43 -14.738 -2.793 -2.832 1.00 0.00 C ATOM 619 C GLY A 43 -15.111 -1.910 -1.658 1.00 0.00 C ATOM 620 O GLY A 43 -16.288 -1.762 -1.333 1.00 0.00 O ATOM 0 H GLY A 43 -13.369 -4.361 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.084 -2.239 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.637 -3.043 -3.395 1.00 0.00 H new ATOM 624 N GLY A 44 -14.104 -1.322 -1.019 1.00 0.00 N ATOM 625 CA GLY A 44 -14.353 -0.457 0.120 1.00 0.00 C ATOM 626 C GLY A 44 -13.074 0.087 0.725 1.00 0.00 C ATOM 627 O GLY A 44 -13.058 1.191 1.271 1.00 0.00 O ATOM 0 H GLY A 44 -13.121 -1.429 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.987 0.374 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.904 -1.011 0.880 1.00 0.00 H new ATOM 631 N TYR A 45 -12.000 -0.688 0.630 1.00 0.00 N ATOM 632 CA TYR A 45 -10.711 -0.279 1.176 1.00 0.00 C ATOM 633 C TYR A 45 -10.310 1.097 0.654 1.00 0.00 C ATOM 634 O TYR A 45 -10.320 1.342 -0.553 1.00 0.00 O ATOM 635 CB TYR A 45 -9.634 -1.306 0.821 1.00 0.00 C ATOM 636 CG TYR A 45 -9.537 -2.447 1.807 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.010 -2.250 3.078 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.970 -3.723 1.469 1.00 0.00 C ATOM 639 CE1 TYR A 45 -8.918 -3.290 3.982 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.884 -4.769 2.367 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.357 -4.547 3.623 1.00 0.00 C ATOM 642 OH TYR A 45 -9.267 -5.587 4.520 1.00 0.00 O ATOM 0 H TYR A 45 -11.996 -1.603 0.180 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.806 -0.222 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.842 -1.710 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.669 -0.803 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.667 -1.267 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.381 -3.900 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.504 -3.120 4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.227 -5.754 2.088 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.010 -5.535 5.156 1.00 0.00 H new ATOM 652 N SER A 46 -9.957 1.991 1.571 1.00 0.00 N ATOM 653 CA SER A 46 -9.555 3.344 1.205 1.00 0.00 C ATOM 654 C SER A 46 -8.053 3.414 0.950 1.00 0.00 C ATOM 655 O SER A 46 -7.250 2.997 1.785 1.00 0.00 O ATOM 656 CB SER A 46 -9.943 4.330 2.309 1.00 0.00 C ATOM 657 OG SER A 46 -11.300 4.721 2.190 1.00 0.00 O ATOM 0 H SER A 46 -9.941 1.803 2.573 1.00 0.00 H new ATOM 0 HA SER A 46 -10.075 3.615 0.286 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.777 3.872 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.302 5.210 2.257 1.00 0.00 H new ATOM 0 HG SER A 46 -11.523 5.350 2.908 1.00 0.00 H new ATOM 663 N ILE A 47 -7.680 3.945 -0.210 1.00 0.00 N ATOM 664 CA ILE A 47 -6.275 4.071 -0.576 1.00 0.00 C ATOM 665 C ILE A 47 -5.411 4.346 0.650 1.00 0.00 C ATOM 666 O ILE A 47 -4.397 3.683 0.868 1.00 0.00 O ATOM 667 CB ILE A 47 -6.060 5.197 -1.604 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.836 4.899 -2.889 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.578 5.367 -1.901 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.428 3.603 -3.554 1.00 0.00 C ATOM 0 H ILE A 47 -8.332 4.295 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.978 3.122 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.435 6.130 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.901 4.861 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.690 5.720 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.442 6.167 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.049 5.620 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.179 4.437 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.019 3.456 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.370 3.645 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.600 2.773 -2.869 1.00 0.00 H new ATOM 682 N SER A 48 -5.820 5.326 1.449 1.00 0.00 N ATOM 683 CA SER A 48 -5.082 5.690 2.652 1.00 0.00 C ATOM 684 C SER A 48 -4.670 4.447 3.434 1.00 0.00 C ATOM 685 O SER A 48 -3.509 4.294 3.814 1.00 0.00 O ATOM 686 CB SER A 48 -5.928 6.607 3.538 1.00 0.00 C ATOM 687 OG SER A 48 -5.110 7.415 4.365 1.00 0.00 O ATOM 0 H SER A 48 -6.659 5.882 1.285 1.00 0.00 H new ATOM 0 HA SER A 48 -4.180 6.222 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.558 7.241 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.595 6.006 4.157 1.00 0.00 H new ATOM 0 HG SER A 48 -5.675 7.993 4.920 1.00 0.00 H new ATOM 693 N PHE A 49 -5.631 3.560 3.672 1.00 0.00 N ATOM 694 CA PHE A 49 -5.371 2.329 4.409 1.00 0.00 C ATOM 695 C PHE A 49 -4.050 1.702 3.972 1.00 0.00 C ATOM 696 O PHE A 49 -3.105 1.608 4.756 1.00 0.00 O ATOM 697 CB PHE A 49 -6.514 1.334 4.202 1.00 0.00 C ATOM 698 CG PHE A 49 -6.395 0.099 5.049 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.332 0.194 6.430 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.347 -1.156 4.464 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.222 -0.940 7.211 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.237 -2.294 5.241 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.176 -2.186 6.616 1.00 0.00 C ATOM 0 H PHE A 49 -6.597 3.671 3.365 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.302 2.577 5.468 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.460 1.828 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.546 1.043 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.369 1.165 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.396 -1.246 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.172 -0.853 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.199 -3.267 4.773 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.092 -3.074 7.225 1.00 0.00 H new ATOM 713 N LEU A 50 -3.993 1.274 2.716 1.00 0.00 N ATOM 714 CA LEU A 50 -2.789 0.655 2.173 1.00 0.00 C ATOM 715 C LEU A 50 -1.556 1.498 2.483 1.00 0.00 C ATOM 716 O LEU A 50 -0.590 1.013 3.073 1.00 0.00 O ATOM 717 CB LEU A 50 -2.925 0.468 0.661 1.00 0.00 C ATOM 718 CG LEU A 50 -3.740 -0.744 0.206 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.014 -0.672 -1.288 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.017 -2.036 0.556 1.00 0.00 C ATOM 0 H LEU A 50 -4.766 1.344 2.054 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.668 -0.320 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.382 1.365 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.926 0.390 0.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.695 -0.733 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.595 -1.542 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.575 0.235 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.069 -0.657 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.612 -2.887 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.047 -2.056 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.873 -2.092 1.635 1.00 0.00 H new ATOM 732 N LYS A 51 -1.596 2.765 2.083 1.00 0.00 N ATOM 733 CA LYS A 51 -0.484 3.678 2.320 1.00 0.00 C ATOM 734 C LYS A 51 0.053 3.523 3.739 1.00 0.00 C ATOM 735 O LYS A 51 1.201 3.868 4.018 1.00 0.00 O ATOM 736 CB LYS A 51 -0.927 5.124 2.086 1.00 0.00 C ATOM 737 CG LYS A 51 -1.235 5.438 0.632 1.00 0.00 C ATOM 738 CD LYS A 51 -1.693 6.876 0.457 1.00 0.00 C ATOM 739 CE LYS A 51 -1.803 7.251 -1.013 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.777 8.356 -1.232 1.00 0.00 N ATOM 0 H LYS A 51 -2.387 3.183 1.593 1.00 0.00 H new ATOM 0 HA LYS A 51 0.313 3.431 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.813 5.326 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.144 5.796 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.347 5.262 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.009 4.762 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.660 7.013 0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.990 7.546 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.824 7.551 -1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.109 6.378 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.182 8.278 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.538 8.292 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.292 9.271 -1.136 1.00 0.00 H new ATOM 754 N GLN A 52 -0.783 3.002 4.631 1.00 0.00 N ATOM 755 CA GLN A 52 -0.390 2.802 6.021 1.00 0.00 C ATOM 756 C GLN A 52 0.300 1.454 6.202 1.00 0.00 C ATOM 757 O GLN A 52 1.364 1.366 6.816 1.00 0.00 O ATOM 758 CB GLN A 52 -1.612 2.890 6.936 1.00 0.00 C ATOM 759 CG GLN A 52 -2.422 4.163 6.749 1.00 0.00 C ATOM 760 CD GLN A 52 -3.138 4.590 8.015 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.188 3.846 8.995 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.698 5.794 8.002 1.00 0.00 N ATOM 0 H GLN A 52 -1.737 2.711 4.416 1.00 0.00 H new ATOM 0 HA GLN A 52 0.314 3.589 6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.256 2.030 6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.284 2.827 7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.761 4.965 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.154 4.010 5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.632 6.378 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.194 6.135 8.826 1.00 0.00 H new ATOM 771 N LEU A 53 -0.313 0.404 5.665 1.00 0.00 N ATOM 772 CA LEU A 53 0.242 -0.941 5.768 1.00 0.00 C ATOM 773 C LEU A 53 1.634 -1.004 5.147 1.00 0.00 C ATOM 774 O LEU A 53 2.603 -1.377 5.809 1.00 0.00 O ATOM 775 CB LEU A 53 -0.681 -1.949 5.081 1.00 0.00 C ATOM 776 CG LEU A 53 -1.981 -2.277 5.816 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.093 -1.336 5.380 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.380 -3.725 5.573 1.00 0.00 C ATOM 0 H LEU A 53 -1.194 0.459 5.154 1.00 0.00 H new ATOM 0 HA LEU A 53 0.323 -1.194 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.933 -1.566 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.127 -2.876 4.932 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.816 -2.141 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.010 -1.585 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.809 -0.308 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.258 -1.440 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.307 -3.941 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.527 -3.888 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.592 -4.385 5.936 1.00 0.00 H new ATOM 790 N ILE A 54 1.726 -0.636 3.874 1.00 0.00 N ATOM 791 CA ILE A 54 3.000 -0.648 3.165 1.00 0.00 C ATOM 792 C ILE A 54 4.062 0.135 3.930 1.00 0.00 C ATOM 793 O ILE A 54 5.193 -0.324 4.088 1.00 0.00 O ATOM 794 CB ILE A 54 2.863 -0.058 1.750 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.910 -0.910 0.908 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.226 0.039 1.082 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.463 -0.484 1.017 1.00 0.00 C ATOM 0 H ILE A 54 0.933 -0.326 3.312 1.00 0.00 H new ATOM 0 HA ILE A 54 3.307 -1.691 3.086 1.00 0.00 H new ATOM 0 HB ILE A 54 2.447 0.946 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.217 -0.860 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.998 -1.952 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.112 0.458 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.876 0.683 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.668 -0.955 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.155 -1.131 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.138 -0.561 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.361 0.548 0.680 1.00 0.00 H new ATOM 809 N ALA A 55 3.688 1.319 4.405 1.00 0.00 N ATOM 810 CA ALA A 55 4.607 2.165 5.157 1.00 0.00 C ATOM 811 C ALA A 55 4.980 1.522 6.489 1.00 0.00 C ATOM 812 O ALA A 55 6.112 1.646 6.954 1.00 0.00 O ATOM 813 CB ALA A 55 3.993 3.538 5.385 1.00 0.00 C ATOM 0 H ALA A 55 2.755 1.714 4.282 1.00 0.00 H new ATOM 0 HA ALA A 55 5.519 2.280 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.690 4.159 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.783 4.007 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.065 3.433 5.947 1.00 0.00 H new ATOM 819 N GLY A 56 4.019 0.834 7.098 1.00 0.00 N ATOM 820 CA GLY A 56 4.266 0.183 8.371 1.00 0.00 C ATOM 821 C GLY A 56 5.084 -1.084 8.225 1.00 0.00 C ATOM 822 O GLY A 56 5.672 -1.569 9.192 1.00 0.00 O ATOM 0 H GLY A 56 3.074 0.716 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.787 0.874 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.314 -0.056 8.844 1.00 0.00 H new ATOM 826 N LYS A 57 5.122 -1.626 7.012 1.00 0.00 N ATOM 827 CA LYS A 57 5.873 -2.845 6.741 1.00 0.00 C ATOM 828 C LYS A 57 7.248 -2.521 6.166 1.00 0.00 C ATOM 829 O LYS A 57 8.223 -3.229 6.423 1.00 0.00 O ATOM 830 CB LYS A 57 5.100 -3.739 5.768 1.00 0.00 C ATOM 831 CG LYS A 57 4.070 -4.626 6.445 1.00 0.00 C ATOM 832 CD LYS A 57 4.728 -5.763 7.209 1.00 0.00 C ATOM 833 CE LYS A 57 4.893 -6.998 6.336 1.00 0.00 C ATOM 834 NZ LYS A 57 6.201 -7.003 5.623 1.00 0.00 N ATOM 0 H LYS A 57 4.640 -1.239 6.200 1.00 0.00 H new ATOM 0 HA LYS A 57 6.008 -3.375 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.599 -3.111 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.807 -4.366 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.467 -4.028 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.392 -5.035 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.703 -5.441 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.126 -6.012 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.813 -7.893 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.083 -7.039 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.469 -7.982 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.119 -6.454 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.929 -6.577 6.231 1.00 0.00 H new ATOM 848 N LEU A 58 7.321 -1.446 5.389 1.00 0.00 N ATOM 849 CA LEU A 58 8.578 -1.026 4.780 1.00 0.00 C ATOM 850 C LEU A 58 9.242 0.074 5.602 1.00 0.00 C ATOM 851 O LEU A 58 9.976 0.904 5.067 1.00 0.00 O ATOM 852 CB LEU A 58 8.336 -0.535 3.351 1.00 0.00 C ATOM 853 CG LEU A 58 7.531 -1.470 2.448 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.445 -0.906 1.038 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.151 -2.860 2.431 1.00 0.00 C ATOM 0 H LEU A 58 6.524 -0.849 5.166 1.00 0.00 H new ATOM 0 HA LEU A 58 9.246 -1.887 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.820 0.424 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.303 -0.353 2.882 1.00 0.00 H new ATOM 0 HG LEU A 58 6.520 -1.550 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.869 -1.585 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.956 0.068 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.449 -0.796 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.565 -3.512 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.172 -2.798 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.160 -3.267 3.442 1.00 0.00 H new ATOM 867 N GLN A 59 8.980 0.072 6.905 1.00 0.00 N ATOM 868 CA GLN A 59 9.553 1.069 7.801 1.00 0.00 C ATOM 869 C GLN A 59 11.067 1.143 7.635 1.00 0.00 C ATOM 870 O GLN A 59 11.701 2.105 8.066 1.00 0.00 O ATOM 871 CB GLN A 59 9.202 0.742 9.253 1.00 0.00 C ATOM 872 CG GLN A 59 7.811 1.199 9.661 1.00 0.00 C ATOM 873 CD GLN A 59 7.783 2.642 10.126 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.162 2.949 11.256 1.00 0.00 O ATOM 875 NE2 GLN A 59 7.333 3.536 9.253 1.00 0.00 N ATOM 0 H GLN A 59 8.375 -0.609 7.364 1.00 0.00 H new ATOM 0 HA GLN A 59 9.130 2.040 7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.280 -0.335 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.936 1.209 9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.132 1.080 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.442 0.557 10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.029 3.236 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.291 4.523 9.509 1.00 0.00 H new ATOM 884 N GLU A 60 11.640 0.120 7.008 1.00 0.00 N ATOM 885 CA GLU A 60 13.080 0.069 6.788 1.00 0.00 C ATOM 886 C GLU A 60 13.520 1.160 5.815 1.00 0.00 C ATOM 887 O GLU A 60 14.604 1.727 5.951 1.00 0.00 O ATOM 888 CB GLU A 60 13.489 -1.303 6.249 1.00 0.00 C ATOM 889 CG GLU A 60 12.812 -1.670 4.939 1.00 0.00 C ATOM 890 CD GLU A 60 13.508 -2.810 4.222 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.754 -2.868 4.268 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.805 -3.644 3.613 1.00 0.00 O ATOM 0 H GLU A 60 11.129 -0.684 6.644 1.00 0.00 H new ATOM 0 HA GLU A 60 13.573 0.237 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.570 -1.321 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.253 -2.062 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.776 -1.947 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.790 -0.796 4.288 1.00 0.00 H new ATOM 899 N SER A 61 12.670 1.448 4.835 1.00 0.00 N ATOM 900 CA SER A 61 12.972 2.468 3.837 1.00 0.00 C ATOM 901 C SER A 61 11.994 3.634 3.938 1.00 0.00 C ATOM 902 O SER A 61 12.389 4.798 3.877 1.00 0.00 O ATOM 903 CB SER A 61 12.922 1.866 2.431 1.00 0.00 C ATOM 904 OG SER A 61 14.122 1.175 2.129 1.00 0.00 O ATOM 0 H SER A 61 11.767 0.990 4.710 1.00 0.00 H new ATOM 0 HA SER A 61 13.977 2.843 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.076 1.183 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.760 2.657 1.699 1.00 0.00 H new ATOM 0 HG SER A 61 14.064 0.798 1.226 1.00 0.00 H new ATOM 910 N VAL A 62 10.713 3.312 4.093 1.00 0.00 N ATOM 911 CA VAL A 62 9.677 4.332 4.204 1.00 0.00 C ATOM 912 C VAL A 62 9.695 4.986 5.581 1.00 0.00 C ATOM 913 O VAL A 62 9.571 4.324 6.612 1.00 0.00 O ATOM 914 CB VAL A 62 8.278 3.740 3.947 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.210 4.815 4.082 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.220 3.090 2.573 1.00 0.00 C ATOM 0 H VAL A 62 10.368 2.353 4.144 1.00 0.00 H new ATOM 0 HA VAL A 62 9.890 5.085 3.445 1.00 0.00 H new ATOM 0 HB VAL A 62 8.084 2.973 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.229 4.378 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.238 5.231 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.397 5.607 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.225 2.677 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.435 3.836 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.959 2.290 2.517 1.00 0.00 H new ATOM 926 N PRO A 63 9.852 6.317 5.601 1.00 0.00 N ATOM 927 CA PRO A 63 9.888 7.091 6.846 1.00 0.00 C ATOM 928 C PRO A 63 8.530 7.143 7.537 1.00 0.00 C ATOM 929 O PRO A 63 8.417 6.853 8.728 1.00 0.00 O ATOM 930 CB PRO A 63 10.306 8.489 6.382 1.00 0.00 C ATOM 931 CG PRO A 63 9.867 8.563 4.961 1.00 0.00 C ATOM 932 CD PRO A 63 10.005 7.171 4.411 1.00 0.00 C ATOM 0 HA PRO A 63 10.563 6.651 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.832 9.264 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.383 8.630 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.836 8.911 4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.481 9.267 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.242 6.957 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.973 7.022 3.932 1.00 0.00 H new ATOM 940 N ASP A 64 7.501 7.512 6.782 1.00 0.00 N ATOM 941 CA ASP A 64 6.149 7.600 7.322 1.00 0.00 C ATOM 942 C ASP A 64 5.111 7.428 6.217 1.00 0.00 C ATOM 943 O ASP A 64 5.362 7.713 5.046 1.00 0.00 O ATOM 944 CB ASP A 64 5.945 8.942 8.027 1.00 0.00 C ATOM 945 CG ASP A 64 6.290 8.879 9.502 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.614 8.130 10.238 1.00 0.00 O ATOM 947 OD2 ASP A 64 7.235 9.580 9.921 1.00 0.00 O ATOM 0 H ASP A 64 7.577 7.755 5.794 1.00 0.00 H new ATOM 0 HA ASP A 64 6.020 6.795 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.562 9.700 7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.907 9.255 7.913 1.00 0.00 H new ATOM 952 N PRO A 65 3.917 6.949 6.597 1.00 0.00 N ATOM 953 CA PRO A 65 2.817 6.728 5.654 1.00 0.00 C ATOM 954 C PRO A 65 2.235 8.035 5.125 1.00 0.00 C ATOM 955 O PRO A 65 1.720 8.088 4.009 1.00 0.00 O ATOM 956 CB PRO A 65 1.777 5.980 6.491 1.00 0.00 C ATOM 957 CG PRO A 65 2.061 6.383 7.897 1.00 0.00 C ATOM 958 CD PRO A 65 3.548 6.588 7.976 1.00 0.00 C ATOM 0 HA PRO A 65 3.143 6.183 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.763 6.252 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.867 4.901 6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.527 7.297 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.735 5.614 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.808 7.378 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.061 5.685 8.306 1.00 0.00 H new ATOM 966 N GLU A 66 2.321 9.086 5.934 1.00 0.00 N ATOM 967 CA GLU A 66 1.802 10.392 5.546 1.00 0.00 C ATOM 968 C GLU A 66 2.804 11.137 4.668 1.00 0.00 C ATOM 969 O GLU A 66 2.425 11.972 3.846 1.00 0.00 O ATOM 970 CB GLU A 66 1.477 11.226 6.787 1.00 0.00 C ATOM 971 CG GLU A 66 0.576 10.512 7.781 1.00 0.00 C ATOM 972 CD GLU A 66 -0.282 11.470 8.583 1.00 0.00 C ATOM 973 OE1 GLU A 66 0.245 12.512 9.025 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.482 11.177 8.769 1.00 0.00 O ATOM 0 H GLU A 66 2.745 9.059 6.861 1.00 0.00 H new ATOM 0 HA GLU A 66 0.888 10.235 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.407 11.500 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.997 12.154 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.068 9.814 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.189 9.922 8.462 1.00 0.00 H new ATOM 981 N LEU A 67 4.083 10.829 4.849 1.00 0.00 N ATOM 982 CA LEU A 67 5.141 11.468 4.074 1.00 0.00 C ATOM 983 C LEU A 67 5.393 10.716 2.771 1.00 0.00 C ATOM 984 O LEU A 67 6.452 10.855 2.158 1.00 0.00 O ATOM 985 CB LEU A 67 6.431 11.537 4.894 1.00 0.00 C ATOM 986 CG LEU A 67 6.308 12.157 6.286 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.661 12.183 6.980 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.726 13.561 6.196 1.00 0.00 C ATOM 0 H LEU A 67 4.413 10.141 5.526 1.00 0.00 H new ATOM 0 HA LEU A 67 4.818 12.480 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.824 10.526 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.168 12.107 4.328 1.00 0.00 H new ATOM 0 HG LEU A 67 5.630 11.542 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.554 12.628 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.039 11.165 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.361 12.775 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.646 13.986 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.378 14.187 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.737 13.516 5.740 1.00 0.00 H new ATOM 1000 N ILE A 68 4.414 9.921 2.355 1.00 0.00 N ATOM 1001 CA ILE A 68 4.528 9.149 1.123 1.00 0.00 C ATOM 1002 C ILE A 68 3.181 9.037 0.417 1.00 0.00 C ATOM 1003 O ILE A 68 2.129 9.182 1.040 1.00 0.00 O ATOM 1004 CB ILE A 68 5.073 7.735 1.394 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.186 7.008 2.406 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.508 7.806 1.895 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.077 6.200 1.767 1.00 0.00 C ATOM 0 H ILE A 68 3.533 9.794 2.852 1.00 0.00 H new ATOM 0 HA ILE A 68 5.228 9.682 0.480 1.00 0.00 H new ATOM 0 HB ILE A 68 5.063 7.173 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.806 6.345 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.747 7.740 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.878 6.798 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.132 8.289 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.543 8.382 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.488 5.712 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.434 6.861 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.509 5.445 1.111 1.00 0.00 H new ATOM 1019 N ASP A 69 3.222 8.775 -0.884 1.00 0.00 N ATOM 1020 CA ASP A 69 2.004 8.640 -1.675 1.00 0.00 C ATOM 1021 C ASP A 69 1.979 7.303 -2.410 1.00 0.00 C ATOM 1022 O ASP A 69 2.953 6.549 -2.383 1.00 0.00 O ATOM 1023 CB ASP A 69 1.891 9.789 -2.677 1.00 0.00 C ATOM 1024 CG ASP A 69 0.451 10.144 -2.992 1.00 0.00 C ATOM 1025 OD1 ASP A 69 -0.226 9.336 -3.662 1.00 0.00 O ATOM 1026 OD2 ASP A 69 0.000 11.229 -2.568 1.00 0.00 O ATOM 0 H ASP A 69 4.085 8.652 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 69 1.153 8.677 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.399 10.667 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.404 9.515 -3.599 1.00 0.00 H new ATOM 1031 N LEU A 70 0.860 7.015 -3.066 1.00 0.00 N ATOM 1032 CA LEU A 70 0.708 5.768 -3.808 1.00 0.00 C ATOM 1033 C LEU A 70 0.449 6.043 -5.286 1.00 0.00 C ATOM 1034 O LEU A 70 -0.298 6.957 -5.635 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.437 4.940 -3.223 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.373 3.433 -3.475 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.910 2.851 -2.902 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.589 2.740 -2.877 1.00 0.00 C ATOM 0 H LEU A 70 0.045 7.628 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 70 1.637 5.205 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.466 5.107 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.376 5.317 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.376 3.263 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.939 1.778 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.769 3.326 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.943 3.032 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.527 1.668 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.617 2.918 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.495 3.137 -3.334 1.00 0.00 H new ATOM 1050 N ILE A 71 1.069 5.244 -6.148 1.00 0.00 N ATOM 1051 CA ILE A 71 0.902 5.400 -7.588 1.00 0.00 C ATOM 1052 C ILE A 71 0.463 4.090 -8.235 1.00 0.00 C ATOM 1053 O ILE A 71 1.012 3.027 -7.944 1.00 0.00 O ATOM 1054 CB ILE A 71 2.204 5.878 -8.257 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.744 7.119 -7.542 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.965 6.171 -9.731 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.780 8.285 -7.544 1.00 0.00 C ATOM 0 H ILE A 71 1.691 4.483 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 71 0.129 6.154 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 71 2.948 5.085 -8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.984 6.859 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.675 7.427 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.894 6.508 -10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.621 5.266 -10.231 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.209 6.950 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.229 9.129 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.558 8.572 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.857 7.995 -7.041 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.529 4.175 -9.114 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.043 2.997 -9.803 1.00 0.00 C ATOM 1071 C TYR A 72 -1.418 3.328 -11.244 1.00 0.00 C ATOM 1072 O TYR A 72 -1.797 4.458 -11.554 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.259 2.438 -9.062 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.910 1.268 -9.765 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.467 -0.031 -9.550 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -3.968 1.462 -10.645 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.058 -1.103 -10.190 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.567 0.396 -11.288 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.108 -0.884 -11.058 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.701 -1.949 -11.698 1.00 0.00 O ATOM 0 H TYR A 72 -0.993 5.047 -9.366 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.256 2.243 -9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.954 2.127 -8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.995 3.232 -8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.646 -0.206 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.328 2.463 -10.829 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.700 -2.106 -10.012 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.390 0.564 -11.967 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.425 -1.623 -12.273 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.311 2.335 -12.119 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.639 2.520 -13.528 1.00 0.00 C ATOM 1092 C CYS A 73 -1.100 3.851 -14.043 1.00 0.00 C ATOM 1093 O CYS A 73 -1.753 4.534 -14.830 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.153 2.455 -13.734 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.652 1.878 -15.373 1.00 0.00 S ATOM 0 H CYS A 73 -1.000 1.394 -11.878 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.168 1.716 -14.093 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.583 1.794 -12.982 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.574 3.446 -13.566 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.950 1.856 -15.449 1.00 0.00 H new ATOM 1101 N GLY A 74 0.096 4.214 -13.589 1.00 0.00 N ATOM 1102 CA GLY A 74 0.702 5.462 -14.013 1.00 0.00 C ATOM 1103 C GLY A 74 -0.098 6.673 -13.574 1.00 0.00 C ATOM 1104 O GLY A 74 -0.176 7.668 -14.295 1.00 0.00 O ATOM 0 H GLY A 74 0.655 3.666 -12.935 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.711 5.529 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.796 5.466 -15.099 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.695 6.588 -12.390 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.496 7.685 -11.858 1.00 0.00 C ATOM 1110 C ARG A 75 -1.641 7.567 -10.344 1.00 0.00 C ATOM 1111 O ARG A 75 -1.887 6.483 -9.815 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.878 7.700 -12.514 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.791 6.583 -12.036 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.225 6.801 -12.494 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.403 6.479 -13.907 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.339 7.029 -14.674 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.176 7.923 -14.165 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.438 6.685 -15.951 1.00 0.00 N ATOM 0 H ARG A 75 -0.640 5.772 -11.781 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.983 8.620 -12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.356 8.659 -12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.759 7.623 -13.595 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.428 5.628 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.760 6.527 -10.948 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.895 6.184 -11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.507 7.839 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.775 5.795 -14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.102 8.190 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.894 8.344 -14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.796 5.998 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.157 7.108 -16.539 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.486 8.690 -9.651 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.601 8.715 -8.197 1.00 0.00 C ATOM 1134 C LYS A 76 -3.035 8.436 -7.759 1.00 0.00 C ATOM 1135 O LYS A 76 -3.987 8.784 -8.459 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.144 10.070 -7.652 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.001 10.101 -6.141 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.297 10.519 -5.466 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.569 12.004 -5.655 1.00 0.00 C ATOM 1140 NZ LYS A 76 -1.927 12.825 -4.591 1.00 0.00 N ATOM 0 H LYS A 76 -1.280 9.596 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.958 7.932 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.187 10.330 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.859 10.834 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.705 9.115 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.206 10.793 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.125 9.941 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.245 10.290 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.199 12.320 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.645 12.180 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.662 13.276 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.336 12.215 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.334 13.558 -5.029 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.182 7.807 -6.598 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.501 7.483 -6.066 1.00 0.00 C ATOM 1156 C LEU A 77 -4.791 8.285 -4.802 1.00 0.00 C ATOM 1157 O LEU A 77 -4.048 8.210 -3.822 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.599 5.986 -5.768 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.957 5.053 -6.796 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.921 3.626 -6.272 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.708 5.120 -8.118 1.00 0.00 C ATOM 0 H LEU A 77 -2.405 7.511 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.244 7.747 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.138 5.798 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.653 5.722 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.932 5.381 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.461 2.976 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.339 3.591 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.937 3.286 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.238 4.450 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.744 4.818 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.681 6.140 -8.500 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.876 9.051 -4.828 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.267 9.865 -3.684 1.00 0.00 C ATOM 1175 C LYS A 78 -6.643 8.987 -2.495 1.00 0.00 C ATOM 1176 O LYS A 78 -6.893 7.792 -2.648 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.442 10.772 -4.054 1.00 0.00 C ATOM 1178 CG LYS A 78 -7.019 12.124 -4.601 1.00 0.00 C ATOM 1179 CD LYS A 78 -6.400 12.994 -3.520 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.457 13.791 -2.772 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.826 15.039 -3.495 1.00 0.00 N ATOM 0 H LYS A 78 -6.501 9.125 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.415 10.483 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.060 10.267 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.064 10.925 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.302 11.982 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.884 12.632 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.851 12.367 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.679 13.677 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.346 13.175 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.086 14.043 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.549 15.554 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.983 15.639 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.204 14.798 -4.433 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.683 9.588 -1.311 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.032 8.861 -0.095 1.00 0.00 C ATOM 1197 C ASP A 79 -8.541 8.660 0.003 1.00 0.00 C ATOM 1198 O ASP A 79 -9.013 7.765 0.705 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.522 9.610 1.137 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.177 10.967 1.301 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -6.757 11.917 0.607 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -8.110 11.080 2.123 1.00 0.00 O ATOM 0 H ASP A 79 -6.478 10.577 -1.167 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.556 7.882 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.709 9.009 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.442 9.738 1.060 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.291 9.499 -0.702 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.747 9.414 -0.694 1.00 0.00 C ATOM 1209 C ASP A 80 -11.234 8.333 -1.655 1.00 0.00 C ATOM 1210 O ASP A 80 -12.401 7.945 -1.625 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.360 10.763 -1.072 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.050 11.845 -0.055 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -9.976 11.774 0.578 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -11.882 12.762 0.107 1.00 0.00 O ATOM 0 H ASP A 80 -8.915 10.246 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.065 9.149 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.985 11.068 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.441 10.655 -1.165 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.331 7.855 -2.505 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.670 6.820 -3.475 1.00 0.00 C ATOM 1221 C GLN A 81 -10.567 5.433 -2.850 1.00 0.00 C ATOM 1222 O GLN A 81 -10.016 5.269 -1.761 1.00 0.00 O ATOM 1223 CB GLN A 81 -9.750 6.913 -4.694 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.634 8.319 -5.262 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.735 8.640 -6.253 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.919 8.481 -5.956 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -10.350 9.097 -7.439 1.00 0.00 N ATOM 0 H GLN A 81 -9.361 8.167 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.700 6.979 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.757 6.559 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.122 6.245 -5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.664 9.040 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.666 8.431 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.357 9.214 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.047 9.331 -8.146 1.00 0.00 H new ATOM 1236 N THR A 82 -11.102 4.434 -3.547 1.00 0.00 N ATOM 1237 CA THR A 82 -11.072 3.061 -3.060 1.00 0.00 C ATOM 1238 C THR A 82 -10.498 2.118 -4.111 1.00 0.00 C ATOM 1239 O THR A 82 -10.157 2.538 -5.218 1.00 0.00 O ATOM 1240 CB THR A 82 -12.478 2.575 -2.663 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.410 2.863 -3.711 1.00 0.00 O ATOM 1242 CG2 THR A 82 -12.936 3.239 -1.373 1.00 0.00 C ATOM 0 H THR A 82 -11.561 4.551 -4.450 1.00 0.00 H new ATOM 0 HA THR A 82 -10.431 3.052 -2.179 1.00 0.00 H new ATOM 0 HB THR A 82 -12.434 1.498 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.301 2.549 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.932 2.880 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.240 2.993 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.964 4.320 -1.510 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.395 0.841 -3.760 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.863 -0.164 -4.674 1.00 0.00 C ATOM 1252 C LEU A 83 -10.741 -0.290 -5.915 1.00 0.00 C ATOM 1253 O LEU A 83 -10.241 -0.344 -7.039 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.758 -1.518 -3.970 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.547 -1.707 -3.056 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.305 -2.028 -3.875 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.321 -0.465 -2.206 1.00 0.00 C ATOM 0 H LEU A 83 -10.673 0.477 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.868 0.154 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.661 -1.669 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.740 -2.300 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.746 -2.547 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.453 -2.159 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.469 -2.946 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.103 -1.209 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.455 -0.618 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.144 0.393 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.202 -0.279 -1.592 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.052 -0.334 -5.704 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.000 -0.450 -6.806 1.00 0.00 C ATOM 1271 C ASP A 84 -13.000 0.815 -7.658 1.00 0.00 C ATOM 1272 O ASP A 84 -12.860 0.753 -8.880 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.407 -0.719 -6.269 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.365 -1.168 -7.356 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.759 -0.321 -8.185 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -15.721 -2.364 -7.376 1.00 0.00 O ATOM 0 H ASP A 84 -12.482 -0.291 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.692 -1.287 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.357 -1.484 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.793 0.186 -5.799 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.160 1.962 -7.006 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.181 3.242 -7.704 1.00 0.00 C ATOM 1283 C PHE A 85 -12.204 3.238 -8.876 1.00 0.00 C ATOM 1284 O PHE A 85 -12.513 3.739 -9.957 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.835 4.378 -6.740 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.162 5.742 -7.278 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.294 6.385 -8.145 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.338 6.379 -6.917 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.592 7.640 -8.641 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.642 7.634 -7.410 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.768 8.265 -8.274 1.00 0.00 C ATOM 0 H PHE A 85 -13.277 2.031 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.187 3.399 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.374 4.227 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.771 4.334 -6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.374 5.900 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.025 5.889 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.906 8.132 -9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.562 8.121 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.004 9.245 -8.662 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.024 2.670 -8.653 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.000 2.603 -9.688 1.00 0.00 C ATOM 1303 C TYR A 86 -10.076 1.281 -10.445 1.00 0.00 C ATOM 1304 O TYR A 86 -9.739 1.208 -11.626 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.610 2.773 -9.072 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.230 4.214 -8.822 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.874 5.052 -9.872 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.229 4.740 -7.536 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.525 6.370 -9.648 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.883 6.057 -7.302 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.531 6.867 -8.361 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.186 8.180 -8.134 1.00 0.00 O ATOM 0 H TYR A 86 -10.753 2.249 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.179 3.415 -10.393 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.570 2.227 -8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.871 2.321 -9.734 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.870 4.666 -10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.504 4.108 -6.704 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.249 7.007 -10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.888 6.450 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.692 8.761 -8.740 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.522 0.236 -9.754 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.635 -1.071 -10.376 1.00 0.00 C ATOM 1324 C GLY A 87 -9.379 -1.903 -10.208 1.00 0.00 C ATOM 1325 O GLY A 87 -9.055 -2.729 -11.061 1.00 0.00 O ATOM 0 H GLY A 87 -10.807 0.271 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.481 -1.604 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.846 -0.948 -11.438 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.670 -1.685 -9.105 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.443 -2.422 -8.829 1.00 0.00 C ATOM 1331 C ILE A 88 -7.732 -3.897 -8.577 1.00 0.00 C ATOM 1332 O ILE A 88 -8.816 -4.257 -8.119 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.699 -1.840 -7.612 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.133 -0.459 -7.945 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.588 -2.782 -7.171 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.047 0.464 -6.749 1.00 0.00 C ATOM 0 H ILE A 88 -8.924 -1.005 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.811 -2.325 -9.712 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.406 -1.733 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.138 -0.577 -8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.757 0.006 -8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.071 -2.357 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.016 -3.747 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.880 -2.918 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.637 1.425 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.043 0.612 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.399 0.020 -5.993 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.754 -4.746 -8.877 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.904 -6.183 -8.681 1.00 0.00 C ATOM 1350 C GLN A 89 -5.893 -6.703 -7.664 1.00 0.00 C ATOM 1351 O GLN A 89 -4.833 -6.115 -7.450 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.733 -6.921 -10.010 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.888 -6.712 -10.975 1.00 0.00 C ATOM 1354 CD GLN A 89 -7.680 -5.517 -11.885 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -6.573 -4.988 -11.990 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -8.745 -5.085 -12.549 1.00 0.00 N ATOM 0 H GLN A 89 -5.850 -4.464 -9.256 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.907 -6.368 -8.296 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.810 -6.589 -10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.624 -7.987 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.016 -7.608 -11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.809 -6.577 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.644 -5.553 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.665 -4.285 -13.176 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.227 -7.831 -7.020 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.362 -8.454 -6.014 1.00 0.00 C ATOM 1367 C PRO A 90 -4.104 -9.060 -6.627 1.00 0.00 C ATOM 1368 O PRO A 90 -3.297 -9.675 -5.932 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.246 -9.550 -5.415 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.228 -9.873 -6.487 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.475 -8.585 -7.224 1.00 0.00 C ATOM 0 HA PRO A 90 -5.002 -7.731 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.659 -10.426 -5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.747 -9.204 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.836 -10.638 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.153 -10.264 -6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.671 -8.759 -8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.337 -8.052 -6.823 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.944 -8.883 -7.935 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.782 -9.418 -8.620 1.00 0.00 C ATOM 1381 C GLY A 91 -2.008 -8.352 -9.370 1.00 0.00 C ATOM 1382 O GLY A 91 -1.352 -8.639 -10.371 1.00 0.00 O ATOM 0 H GLY A 91 -4.599 -8.378 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.125 -9.896 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.101 -10.191 -9.319 1.00 0.00 H new ATOM 1386 N SER A 92 -2.086 -7.116 -8.886 1.00 0.00 N ATOM 1387 CA SER A 92 -1.392 -6.002 -9.520 1.00 0.00 C ATOM 1388 C SER A 92 -0.250 -5.501 -8.641 1.00 0.00 C ATOM 1389 O SER A 92 -0.130 -5.888 -7.478 1.00 0.00 O ATOM 1390 CB SER A 92 -2.369 -4.860 -9.805 1.00 0.00 C ATOM 1391 OG SER A 92 -3.536 -5.337 -10.454 1.00 0.00 O ATOM 0 H SER A 92 -2.623 -6.862 -8.057 1.00 0.00 H new ATOM 0 HA SER A 92 -0.974 -6.357 -10.462 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.643 -4.370 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.884 -4.109 -10.428 1.00 0.00 H new ATOM 0 HG SER A 92 -4.145 -4.588 -10.624 1.00 0.00 H new ATOM 1397 N THR A 93 0.588 -4.637 -9.205 1.00 0.00 N ATOM 1398 CA THR A 93 1.721 -4.083 -8.474 1.00 0.00 C ATOM 1399 C THR A 93 1.634 -2.564 -8.393 1.00 0.00 C ATOM 1400 O THR A 93 1.607 -1.878 -9.415 1.00 0.00 O ATOM 1401 CB THR A 93 3.059 -4.475 -9.131 1.00 0.00 C ATOM 1402 OG1 THR A 93 3.051 -5.867 -9.465 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.225 -4.178 -8.201 1.00 0.00 C ATOM 0 H THR A 93 0.503 -4.306 -10.166 1.00 0.00 H new ATOM 0 HA THR A 93 1.682 -4.500 -7.468 1.00 0.00 H new ATOM 0 HB THR A 93 3.180 -3.885 -10.039 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.904 -6.108 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.159 -4.463 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.245 -3.113 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.108 -4.746 -7.278 1.00 0.00 H new ATOM 1411 N VAL A 94 1.590 -2.042 -7.171 1.00 0.00 N ATOM 1412 CA VAL A 94 1.507 -0.603 -6.956 1.00 0.00 C ATOM 1413 C VAL A 94 2.854 -0.033 -6.525 1.00 0.00 C ATOM 1414 O VAL A 94 3.587 -0.657 -5.757 1.00 0.00 O ATOM 1415 CB VAL A 94 0.450 -0.254 -5.892 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.915 -0.788 -6.299 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.862 -0.800 -4.533 1.00 0.00 C ATOM 0 H VAL A 94 1.611 -2.595 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 94 1.215 -0.158 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 94 0.381 0.831 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.649 -0.532 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.211 -0.344 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.865 -1.872 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.104 -0.544 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.961 -1.884 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.817 -0.364 -4.240 1.00 0.00 H new ATOM 1427 N HIS A 95 3.174 1.157 -7.024 1.00 0.00 N ATOM 1428 CA HIS A 95 4.433 1.812 -6.690 1.00 0.00 C ATOM 1429 C HIS A 95 4.208 2.943 -5.691 1.00 0.00 C ATOM 1430 O HIS A 95 3.121 3.517 -5.621 1.00 0.00 O ATOM 1431 CB HIS A 95 5.101 2.356 -7.953 1.00 0.00 C ATOM 1432 CG HIS A 95 5.543 1.288 -8.905 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.869 1.006 -9.157 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.825 0.429 -9.667 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.948 0.021 -10.034 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.722 -0.347 -10.359 1.00 0.00 N ATOM 0 H HIS A 95 2.579 1.687 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 95 5.089 1.072 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.405 3.021 -8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.965 2.956 -7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.748 0.366 -9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.860 -0.410 -10.420 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.481 -1.088 -11.017 1.00 0.00 H new ATOM 1445 N VAL A 96 5.243 3.259 -4.919 1.00 0.00 N ATOM 1446 CA VAL A 96 5.159 4.322 -3.924 1.00 0.00 C ATOM 1447 C VAL A 96 6.016 5.518 -4.324 1.00 0.00 C ATOM 1448 O VAL A 96 7.165 5.361 -4.741 1.00 0.00 O ATOM 1449 CB VAL A 96 5.603 3.827 -2.535 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.832 5.003 -1.597 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.573 2.867 -1.958 1.00 0.00 C ATOM 0 H VAL A 96 6.150 2.794 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 96 4.114 4.628 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 96 6.546 3.291 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.145 4.634 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.608 5.649 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.907 5.569 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.902 2.527 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.614 3.376 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.464 2.009 -2.621 1.00 0.00 H new ATOM 1461 N LEU A 97 5.451 6.713 -4.193 1.00 0.00 N ATOM 1462 CA LEU A 97 6.164 7.938 -4.540 1.00 0.00 C ATOM 1463 C LEU A 97 6.181 8.910 -3.364 1.00 0.00 C ATOM 1464 O LEU A 97 5.131 9.352 -2.897 1.00 0.00 O ATOM 1465 CB LEU A 97 5.516 8.602 -5.756 1.00 0.00 C ATOM 1466 CG LEU A 97 6.444 9.436 -6.640 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.041 10.589 -5.849 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.544 8.564 -7.229 1.00 0.00 C ATOM 0 H LEU A 97 4.502 6.860 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 97 7.193 7.673 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.063 7.824 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.707 9.243 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 97 5.858 9.851 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.699 11.171 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.240 11.228 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.613 10.196 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.195 9.174 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.128 8.120 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.098 7.773 -7.832 1.00 0.00 H new ATOM 1480 N ARG A 98 7.379 9.240 -2.893 1.00 0.00 N ATOM 1481 CA ARG A 98 7.532 10.161 -1.773 1.00 0.00 C ATOM 1482 C ARG A 98 6.804 11.474 -2.045 1.00 0.00 C ATOM 1483 O ARG A 98 6.572 11.841 -3.198 1.00 0.00 O ATOM 1484 CB ARG A 98 9.014 10.432 -1.507 1.00 0.00 C ATOM 1485 CG ARG A 98 9.734 9.272 -0.838 1.00 0.00 C ATOM 1486 CD ARG A 98 10.990 9.737 -0.119 1.00 0.00 C ATOM 1487 NE ARG A 98 11.947 8.650 0.071 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.247 8.841 0.266 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.743 10.070 0.296 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.054 7.801 0.431 1.00 0.00 N ATOM 0 H ARG A 98 8.257 8.884 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 98 7.091 9.697 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.508 10.660 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.106 11.317 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.064 8.788 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.997 8.525 -1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.460 10.537 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.719 10.155 0.851 1.00 0.00 H new ATOM 0 HE ARG A 98 11.598 7.692 0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.126 10.872 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.742 10.213 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.676 6.854 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.052 7.949 0.581 1.00 0.00 H new ATOM 1504 N LYS A 99 6.446 12.179 -0.977 1.00 0.00 N ATOM 1505 CA LYS A 99 5.746 13.452 -1.099 1.00 0.00 C ATOM 1506 C LYS A 99 6.413 14.342 -2.143 1.00 0.00 C ATOM 1507 O LYS A 99 7.640 14.428 -2.206 1.00 0.00 O ATOM 1508 CB LYS A 99 5.711 14.170 0.252 1.00 0.00 C ATOM 1509 CG LYS A 99 4.992 13.388 1.338 1.00 0.00 C ATOM 1510 CD LYS A 99 3.529 13.786 1.436 1.00 0.00 C ATOM 1511 CE LYS A 99 2.649 12.889 0.580 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.276 13.446 0.423 1.00 0.00 N ATOM 0 H LYS A 99 6.629 11.890 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 99 4.725 13.247 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.733 14.369 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.222 15.136 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.066 12.321 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.482 13.560 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.205 13.731 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.411 14.822 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.105 12.764 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.590 11.899 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.707 12.806 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.831 13.542 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.330 14.380 -0.032 1.00 0.00 H new ATOM 1526 N SER A 100 5.598 15.003 -2.958 1.00 0.00 N ATOM 1527 CA SER A 100 6.110 15.885 -4.000 1.00 0.00 C ATOM 1528 C SER A 100 6.747 17.132 -3.393 1.00 0.00 C ATOM 1529 O SER A 100 7.891 17.468 -3.696 1.00 0.00 O ATOM 1530 CB SER A 100 4.985 16.287 -4.956 1.00 0.00 C ATOM 1531 OG SER A 100 5.504 16.877 -6.135 1.00 0.00 O ATOM 0 H SER A 100 4.580 14.945 -2.917 1.00 0.00 H new ATOM 0 HA SER A 100 6.874 15.343 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.393 15.409 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.315 16.988 -4.459 1.00 0.00 H new ATOM 0 HG SER A 100 4.765 17.123 -6.730 1.00 0.00 H new ATOM 1537 N TRP A 101 5.996 17.813 -2.535 1.00 0.00 N ATOM 1538 CA TRP A 101 6.486 19.023 -1.884 1.00 0.00 C ATOM 1539 C TRP A 101 7.859 18.790 -1.266 1.00 0.00 C ATOM 1540 O TRP A 101 8.196 17.670 -0.882 1.00 0.00 O ATOM 1541 CB TRP A 101 5.500 19.483 -0.809 1.00 0.00 C ATOM 1542 CG TRP A 101 6.078 20.495 0.133 1.00 0.00 C ATOM 1543 CD1 TRP A 101 6.169 20.393 1.492 1.00 0.00 C ATOM 1544 CD2 TRP A 101 6.644 21.764 -0.214 1.00 0.00 C ATOM 1545 NE1 TRP A 101 6.757 21.521 2.010 1.00 0.00 N ATOM 1546 CE2 TRP A 101 7.058 22.377 0.984 1.00 0.00 C ATOM 1547 CE3 TRP A 101 6.843 22.441 -1.421 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 7.658 23.634 1.009 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 7.437 23.688 -1.394 1.00 0.00 C ATOM 1550 CH2 TRP A 101 7.840 24.274 -0.187 1.00 0.00 C ATOM 0 H TRP A 101 5.046 17.548 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 101 6.577 19.802 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.620 19.907 -1.291 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.165 18.617 -0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 101 5.829 19.549 2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 101 6.940 21.693 2.999 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.538 21.997 -2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.968 24.087 1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.594 24.221 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.303 25.250 -0.201 1.00 0.00 H new ATOM 1561 N SER A 102 8.650 19.855 -1.171 1.00 0.00 N ATOM 1562 CA SER A 102 9.989 19.765 -0.602 1.00 0.00 C ATOM 1563 C SER A 102 9.928 19.376 0.872 1.00 0.00 C ATOM 1564 O SER A 102 10.413 18.317 1.267 1.00 0.00 O ATOM 1565 CB SER A 102 10.724 21.098 -0.759 1.00 0.00 C ATOM 1566 OG SER A 102 11.329 21.199 -2.036 1.00 0.00 O ATOM 0 H SER A 102 8.386 20.790 -1.481 1.00 0.00 H new ATOM 0 HA SER A 102 10.535 18.991 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.024 21.922 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.485 21.191 0.016 1.00 0.00 H new ATOM 0 HG SER A 102 11.791 22.060 -2.112 1.00 0.00 H new ATOM 1572 N GLY A 103 9.326 20.242 1.682 1.00 0.00 N ATOM 1573 CA GLY A 103 9.212 19.973 3.103 1.00 0.00 C ATOM 1574 C GLY A 103 9.093 21.240 3.926 1.00 0.00 C ATOM 1575 O GLY A 103 8.112 21.454 4.638 1.00 0.00 O ATOM 0 H GLY A 103 8.915 21.125 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.340 19.344 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.084 19.409 3.434 1.00 0.00 H new ATOM 1579 N PRO A 104 10.113 22.107 3.835 1.00 0.00 N ATOM 1580 CA PRO A 104 10.144 23.374 4.571 1.00 0.00 C ATOM 1581 C PRO A 104 9.119 24.374 4.046 1.00 0.00 C ATOM 1582 O PRO A 104 9.430 25.206 3.195 1.00 0.00 O ATOM 1583 CB PRO A 104 11.565 23.889 4.332 1.00 0.00 C ATOM 1584 CG PRO A 104 11.984 23.262 3.047 1.00 0.00 C ATOM 1585 CD PRO A 104 11.315 21.916 3.006 1.00 0.00 C ATOM 0 HA PRO A 104 9.897 23.240 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.586 24.977 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.231 23.605 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.682 23.874 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 104 13.068 23.161 2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.058 21.626 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 104 11.960 21.134 3.407 1.00 0.00 H new ATOM 1593 N SER A 105 7.896 24.286 4.561 1.00 0.00 N ATOM 1594 CA SER A 105 6.825 25.182 4.141 1.00 0.00 C ATOM 1595 C SER A 105 7.333 26.615 4.014 1.00 0.00 C ATOM 1596 O SER A 105 7.877 27.178 4.963 1.00 0.00 O ATOM 1597 CB SER A 105 5.665 25.126 5.137 1.00 0.00 C ATOM 1598 OG SER A 105 5.143 23.812 5.239 1.00 0.00 O ATOM 0 H SER A 105 7.623 23.604 5.269 1.00 0.00 H new ATOM 0 HA SER A 105 6.472 24.853 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.006 25.462 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.877 25.810 4.821 1.00 0.00 H new ATOM 0 HG SER A 105 4.404 23.803 5.883 1.00 0.00 H new ATOM 1604 N SER A 106 7.150 27.198 2.834 1.00 0.00 N ATOM 1605 CA SER A 106 7.593 28.564 2.580 1.00 0.00 C ATOM 1606 C SER A 106 6.410 29.462 2.228 1.00 0.00 C ATOM 1607 O SER A 106 6.034 29.585 1.064 1.00 0.00 O ATOM 1608 CB SER A 106 8.620 28.588 1.447 1.00 0.00 C ATOM 1609 OG SER A 106 9.746 27.787 1.763 1.00 0.00 O ATOM 0 H SER A 106 6.698 26.746 2.039 1.00 0.00 H new ATOM 0 HA SER A 106 8.058 28.944 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.160 28.228 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.939 29.614 1.263 1.00 0.00 H new ATOM 0 HG SER A 106 9.445 26.924 2.117 1.00 0.00 H new ATOM 1615 N GLY A 107 5.828 30.089 3.246 1.00 0.00 N ATOM 1616 CA GLY A 107 4.694 30.967 3.025 1.00 0.00 C ATOM 1617 C GLY A 107 4.345 31.784 4.254 1.00 0.00 C ATOM 1618 O GLY A 107 3.491 32.668 4.198 1.00 0.00 O ATOM 0 H GLY A 107 6.122 30.005 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.915 31.640 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.830 30.372 2.731 1.00 0.00 H new TER 1622 GLY A 107