USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 738 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 MET CE :methyl -132:sc= -1.84 (180deg=-4.16!) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.0784 X(o=-0.038,f=-0.27) USER MOD Set 2.2: A 76 MET CE :methyl -150:sc= -0.116 (180deg=-0.495) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -119:sc= -0.747 (180deg=0) USER MOD Set 3.2: A 85 HIS : no HE2:sc= -3.87 K(o=-4.6,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -105:sc= 0.115 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= -0.195 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 163:sc= -6.89! (180deg=-7.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.046) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -175:sc= -1.32 (180deg=-1.35) USER MOD Single : A 37 TYR OH : rot 27:sc= -2.16 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.8! USER MOD Single : A 43 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.54) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.81 X(o=-1.8,f=-2.1!) USER MOD Single : A 51 ASN : amide:sc= -0.0814 K(o=-0.081,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -38:sc= -0.243 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= -1.6 (180deg=-1.97) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -3.47! C(o=-5.9!,f=-3.5!) USER MOD Single : A 86 MET CE :methyl -170:sc= -0.721 (180deg=-1.14) USER MOD Single : A 89 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= -0.0329 (180deg=-0.937) USER MOD Single : A 91 ASN : amide:sc= -0.0341 K(o=-0.034,f=-2.4!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 29:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.151 7.448 -14.101 1.00 0.00 N ATOM 2 CA GLY A 1 -3.018 6.953 -15.155 1.00 0.00 C ATOM 3 C GLY A 1 -2.544 7.362 -16.535 1.00 0.00 C ATOM 4 O GLY A 1 -2.721 8.509 -16.946 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.518 7.142 -13.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.191 7.070 -14.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.122 8.487 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.069 5.866 -15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.029 7.328 -14.996 1.00 0.00 H new ATOM 8 N SER A 2 -1.938 6.422 -17.253 1.00 0.00 N ATOM 9 CA SER A 2 -1.432 6.691 -18.594 1.00 0.00 C ATOM 10 C SER A 2 -2.574 7.016 -19.552 1.00 0.00 C ATOM 11 O SER A 2 -3.475 6.203 -19.758 1.00 0.00 O ATOM 12 CB SER A 2 -0.640 5.490 -19.114 1.00 0.00 C ATOM 13 OG SER A 2 -0.243 5.685 -20.460 1.00 0.00 O ATOM 0 H SER A 2 -1.785 5.467 -16.929 1.00 0.00 H new ATOM 0 HA SER A 2 -0.771 7.556 -18.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.241 5.334 -18.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.248 4.589 -19.038 1.00 0.00 H new ATOM 0 HG SER A 2 -0.805 5.139 -21.049 1.00 0.00 H new ATOM 19 N SER A 3 -2.529 8.210 -20.134 1.00 0.00 N ATOM 20 CA SER A 3 -3.562 8.644 -21.067 1.00 0.00 C ATOM 21 C SER A 3 -3.789 7.596 -22.153 1.00 0.00 C ATOM 22 O SER A 3 -4.927 7.263 -22.480 1.00 0.00 O ATOM 23 CB SER A 3 -3.173 9.980 -21.705 1.00 0.00 C ATOM 24 OG SER A 3 -3.318 11.046 -20.783 1.00 0.00 O ATOM 0 H SER A 3 -1.789 8.894 -19.976 1.00 0.00 H new ATOM 0 HA SER A 3 -4.490 8.771 -20.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.141 9.934 -22.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.797 10.164 -22.580 1.00 0.00 H new ATOM 0 HG SER A 3 -3.062 11.888 -21.214 1.00 0.00 H new ATOM 30 N GLY A 4 -2.696 7.081 -22.707 1.00 0.00 N ATOM 31 CA GLY A 4 -2.796 6.077 -23.750 1.00 0.00 C ATOM 32 C GLY A 4 -2.851 4.667 -23.195 1.00 0.00 C ATOM 33 O GLY A 4 -1.843 4.137 -22.729 1.00 0.00 O ATOM 0 H GLY A 4 -1.743 7.341 -22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.689 6.265 -24.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.941 6.167 -24.420 1.00 0.00 H new ATOM 37 N SER A 5 -4.033 4.060 -23.243 1.00 0.00 N ATOM 38 CA SER A 5 -4.217 2.705 -22.736 1.00 0.00 C ATOM 39 C SER A 5 -3.075 1.798 -23.185 1.00 0.00 C ATOM 40 O SER A 5 -2.820 1.648 -24.380 1.00 0.00 O ATOM 41 CB SER A 5 -5.554 2.136 -23.215 1.00 0.00 C ATOM 42 OG SER A 5 -5.938 1.015 -22.439 1.00 0.00 O ATOM 0 H SER A 5 -4.877 4.485 -23.628 1.00 0.00 H new ATOM 0 HA SER A 5 -4.218 2.747 -21.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.323 2.906 -23.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.475 1.847 -24.263 1.00 0.00 H new ATOM 0 HG SER A 5 -6.796 0.671 -22.764 1.00 0.00 H new ATOM 48 N SER A 6 -2.392 1.195 -22.218 1.00 0.00 N ATOM 49 CA SER A 6 -1.275 0.304 -22.512 1.00 0.00 C ATOM 50 C SER A 6 -0.416 0.865 -23.642 1.00 0.00 C ATOM 51 O SER A 6 0.022 0.131 -24.526 1.00 0.00 O ATOM 52 CB SER A 6 -1.789 -1.086 -22.889 1.00 0.00 C ATOM 53 OG SER A 6 -2.610 -1.031 -24.042 1.00 0.00 O ATOM 0 H SER A 6 -2.592 1.307 -21.224 1.00 0.00 H new ATOM 0 HA SER A 6 -0.660 0.225 -21.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.946 -1.752 -23.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.353 -1.506 -22.057 1.00 0.00 H new ATOM 0 HG SER A 6 -2.924 -1.932 -24.263 1.00 0.00 H new ATOM 59 N GLY A 7 -0.179 2.173 -23.604 1.00 0.00 N ATOM 60 CA GLY A 7 0.625 2.811 -24.629 1.00 0.00 C ATOM 61 C GLY A 7 1.954 2.114 -24.841 1.00 0.00 C ATOM 62 O GLY A 7 2.759 2.005 -23.916 1.00 0.00 O ATOM 0 H GLY A 7 -0.530 2.802 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.070 2.822 -25.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.803 3.850 -24.352 1.00 0.00 H new ATOM 66 N MET A 8 2.185 1.640 -26.061 1.00 0.00 N ATOM 67 CA MET A 8 3.427 0.951 -26.391 1.00 0.00 C ATOM 68 C MET A 8 4.633 1.726 -25.871 1.00 0.00 C ATOM 69 O MET A 8 4.503 2.858 -25.404 1.00 0.00 O ATOM 70 CB MET A 8 3.542 0.759 -27.904 1.00 0.00 C ATOM 71 CG MET A 8 2.819 -0.476 -28.417 1.00 0.00 C ATOM 72 SD MET A 8 1.025 -0.299 -28.371 1.00 0.00 S ATOM 73 CE MET A 8 0.557 -1.218 -29.836 1.00 0.00 C ATOM 0 H MET A 8 1.528 1.720 -26.837 1.00 0.00 H new ATOM 0 HA MET A 8 3.411 -0.026 -25.909 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.140 1.640 -28.405 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.596 0.691 -28.174 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.134 -0.678 -29.441 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.111 -1.338 -27.818 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.527 -1.201 -29.945 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.018 -0.764 -30.713 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.896 -2.250 -29.742 1.00 0.00 H new ATOM 83 N LEU A 9 5.807 1.110 -25.954 1.00 0.00 N ATOM 84 CA LEU A 9 7.038 1.742 -25.493 1.00 0.00 C ATOM 85 C LEU A 9 7.734 2.476 -26.635 1.00 0.00 C ATOM 86 O LEU A 9 8.688 1.967 -27.223 1.00 0.00 O ATOM 87 CB LEU A 9 7.980 0.696 -24.895 1.00 0.00 C ATOM 88 CG LEU A 9 7.483 -0.011 -23.633 1.00 0.00 C ATOM 89 CD1 LEU A 9 6.671 -1.244 -23.997 1.00 0.00 C ATOM 90 CD2 LEU A 9 8.654 -0.387 -22.737 1.00 0.00 C ATOM 0 H LEU A 9 5.932 0.173 -26.337 1.00 0.00 H new ATOM 0 HA LEU A 9 6.777 2.469 -24.723 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.182 -0.059 -25.655 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.930 1.180 -24.666 1.00 0.00 H new ATOM 0 HG LEU A 9 6.837 0.675 -23.085 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.326 -1.734 -23.087 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.811 -0.949 -24.599 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.293 -1.934 -24.567 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.282 -0.889 -21.844 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.325 -1.056 -23.276 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.195 0.514 -22.448 1.00 0.00 H new ATOM 102 N SER A 10 7.252 3.676 -26.941 1.00 0.00 N ATOM 103 CA SER A 10 7.828 4.481 -28.013 1.00 0.00 C ATOM 104 C SER A 10 9.347 4.539 -27.891 1.00 0.00 C ATOM 105 O SER A 10 10.066 4.386 -28.879 1.00 0.00 O ATOM 106 CB SER A 10 7.247 5.896 -27.984 1.00 0.00 C ATOM 107 OG SER A 10 7.403 6.486 -26.705 1.00 0.00 O ATOM 0 H SER A 10 6.464 4.113 -26.462 1.00 0.00 H new ATOM 0 HA SER A 10 7.575 4.012 -28.964 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.743 6.511 -28.735 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.190 5.864 -28.246 1.00 0.00 H new ATOM 0 HG SER A 10 7.025 7.390 -26.714 1.00 0.00 H new ATOM 113 N ALA A 11 9.829 4.762 -26.673 1.00 0.00 N ATOM 114 CA ALA A 11 11.263 4.840 -26.421 1.00 0.00 C ATOM 115 C ALA A 11 11.803 3.509 -25.908 1.00 0.00 C ATOM 116 O ALA A 11 11.448 3.063 -24.817 1.00 0.00 O ATOM 117 CB ALA A 11 11.565 5.952 -25.428 1.00 0.00 C ATOM 0 H ALA A 11 9.248 4.892 -25.845 1.00 0.00 H new ATOM 0 HA ALA A 11 11.761 5.065 -27.364 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.639 5.998 -25.249 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.223 6.904 -25.833 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.049 5.751 -24.489 1.00 0.00 H new ATOM 123 N ARG A 12 12.662 2.879 -26.703 1.00 0.00 N ATOM 124 CA ARG A 12 13.249 1.598 -26.329 1.00 0.00 C ATOM 125 C ARG A 12 14.773 1.682 -26.316 1.00 0.00 C ATOM 126 O ARG A 12 15.411 1.429 -25.294 1.00 0.00 O ATOM 127 CB ARG A 12 12.797 0.503 -27.298 1.00 0.00 C ATOM 128 CG ARG A 12 12.720 -0.876 -26.664 1.00 0.00 C ATOM 129 CD ARG A 12 11.670 -1.743 -27.343 1.00 0.00 C ATOM 130 NE ARG A 12 12.226 -2.502 -28.459 1.00 0.00 N ATOM 131 CZ ARG A 12 12.999 -3.572 -28.308 1.00 0.00 C ATOM 132 NH1 ARG A 12 13.306 -4.005 -27.093 1.00 0.00 N ATOM 133 NH2 ARG A 12 13.466 -4.210 -29.373 1.00 0.00 N ATOM 0 H ARG A 12 12.967 3.235 -27.609 1.00 0.00 H new ATOM 0 HA ARG A 12 12.906 1.349 -25.325 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.818 0.765 -27.698 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.487 0.468 -28.141 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.693 -1.363 -26.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.483 -0.778 -25.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.242 -2.431 -26.614 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.857 -1.113 -27.703 1.00 0.00 H new ATOM 0 HE ARG A 12 12.009 -2.194 -29.407 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.949 -3.516 -26.272 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.900 -4.827 -26.979 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.232 -3.879 -30.309 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.059 -5.031 -29.256 1.00 0.00 H new ATOM 147 N THR A 13 15.351 2.038 -27.459 1.00 0.00 N ATOM 148 CA THR A 13 16.799 2.152 -27.580 1.00 0.00 C ATOM 149 C THR A 13 17.335 3.285 -26.713 1.00 0.00 C ATOM 150 O THR A 13 16.588 4.172 -26.303 1.00 0.00 O ATOM 151 CB THR A 13 17.223 2.395 -29.041 1.00 0.00 C ATOM 152 OG1 THR A 13 18.628 2.163 -29.188 1.00 0.00 O ATOM 153 CG2 THR A 13 16.890 3.815 -29.473 1.00 0.00 C ATOM 0 H THR A 13 14.838 2.252 -28.314 1.00 0.00 H new ATOM 0 HA THR A 13 17.220 1.206 -27.239 1.00 0.00 H new ATOM 0 HB THR A 13 16.672 1.701 -29.676 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.889 2.318 -30.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.199 3.962 -30.508 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.816 3.979 -29.388 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.417 4.523 -28.833 1.00 0.00 H new ATOM 161 N MET A 14 18.635 3.249 -26.437 1.00 0.00 N ATOM 162 CA MET A 14 19.271 4.275 -25.620 1.00 0.00 C ATOM 163 C MET A 14 20.505 4.839 -26.317 1.00 0.00 C ATOM 164 O MET A 14 21.445 5.295 -25.667 1.00 0.00 O ATOM 165 CB MET A 14 19.660 3.701 -24.255 1.00 0.00 C ATOM 166 CG MET A 14 18.747 2.581 -23.785 1.00 0.00 C ATOM 167 SD MET A 14 19.475 1.604 -22.456 1.00 0.00 S ATOM 168 CE MET A 14 20.305 2.880 -21.512 1.00 0.00 C ATOM 0 H MET A 14 19.268 2.520 -26.767 1.00 0.00 H new ATOM 0 HA MET A 14 18.555 5.085 -25.476 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.683 3.328 -24.305 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.649 4.502 -23.516 1.00 0.00 H new ATOM 0 HG2 MET A 14 17.803 3.006 -23.443 1.00 0.00 H new ATOM 0 HG3 MET A 14 18.516 1.928 -24.627 1.00 0.00 H new ATOM 0 HE1 MET A 14 20.542 2.501 -20.518 1.00 0.00 H new ATOM 0 HE2 MET A 14 21.226 3.167 -22.020 1.00 0.00 H new ATOM 0 HE3 MET A 14 19.653 3.749 -21.423 1.00 0.00 H new ATOM 178 N LYS A 15 20.496 4.804 -27.646 1.00 0.00 N ATOM 179 CA LYS A 15 21.612 5.313 -28.433 1.00 0.00 C ATOM 180 C LYS A 15 21.650 6.837 -28.401 1.00 0.00 C ATOM 181 O LYS A 15 22.716 7.438 -28.268 1.00 0.00 O ATOM 182 CB LYS A 15 21.508 4.825 -29.880 1.00 0.00 C ATOM 183 CG LYS A 15 22.782 5.024 -30.682 1.00 0.00 C ATOM 184 CD LYS A 15 22.793 6.371 -31.386 1.00 0.00 C ATOM 185 CE LYS A 15 21.874 6.374 -32.598 1.00 0.00 C ATOM 186 NZ LYS A 15 22.521 5.753 -33.786 1.00 0.00 N ATOM 0 H LYS A 15 19.727 4.428 -28.200 1.00 0.00 H new ATOM 0 HA LYS A 15 22.535 4.935 -27.994 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.251 3.766 -29.880 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.692 5.351 -30.374 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.645 4.951 -30.020 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.878 4.226 -31.419 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.481 7.149 -30.690 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.809 6.611 -31.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.957 5.834 -32.360 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.588 7.399 -32.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.588 6.454 -34.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.475 5.427 -33.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.953 4.944 -34.107 1.00 0.00 H new ATOM 200 N GLU A 16 20.480 7.457 -28.523 1.00 0.00 N ATOM 201 CA GLU A 16 20.381 8.911 -28.507 1.00 0.00 C ATOM 202 C GLU A 16 20.162 9.426 -27.088 1.00 0.00 C ATOM 203 O GLU A 16 20.905 10.281 -26.604 1.00 0.00 O ATOM 204 CB GLU A 16 19.239 9.377 -29.413 1.00 0.00 C ATOM 205 CG GLU A 16 18.127 8.352 -29.566 1.00 0.00 C ATOM 206 CD GLU A 16 18.429 7.320 -30.634 1.00 0.00 C ATOM 207 OE1 GLU A 16 19.610 7.193 -31.019 1.00 0.00 O ATOM 208 OE2 GLU A 16 17.485 6.638 -31.085 1.00 0.00 O ATOM 0 H GLU A 16 19.588 6.975 -28.634 1.00 0.00 H new ATOM 0 HA GLU A 16 21.321 9.317 -28.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.819 10.299 -29.010 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.641 9.614 -30.398 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.969 7.848 -28.613 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.197 8.864 -29.813 1.00 0.00 H new ATOM 215 N VAL A 17 19.136 8.901 -26.426 1.00 0.00 N ATOM 216 CA VAL A 17 18.819 9.306 -25.061 1.00 0.00 C ATOM 217 C VAL A 17 18.949 10.815 -24.892 1.00 0.00 C ATOM 218 O VAL A 17 19.175 11.309 -23.787 1.00 0.00 O ATOM 219 CB VAL A 17 19.734 8.604 -24.040 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.134 9.198 -24.081 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.145 8.704 -22.641 1.00 0.00 C ATOM 0 H VAL A 17 18.510 8.194 -26.812 1.00 0.00 H new ATOM 0 HA VAL A 17 17.787 9.010 -24.874 1.00 0.00 H new ATOM 0 HB VAL A 17 19.805 7.549 -24.306 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.766 8.690 -23.353 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.554 9.070 -25.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.086 10.260 -23.841 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.804 8.203 -21.932 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.044 9.753 -22.363 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.165 8.228 -22.624 1.00 0.00 H new ATOM 231 N VAL A 18 18.804 11.544 -25.994 1.00 0.00 N ATOM 232 CA VAL A 18 18.904 12.998 -25.968 1.00 0.00 C ATOM 233 C VAL A 18 17.581 13.647 -26.357 1.00 0.00 C ATOM 234 O VAL A 18 17.178 14.655 -25.776 1.00 0.00 O ATOM 235 CB VAL A 18 20.008 13.502 -26.916 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.382 13.109 -26.394 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.789 12.964 -28.322 1.00 0.00 C ATOM 0 H VAL A 18 18.617 11.151 -26.916 1.00 0.00 H new ATOM 0 HA VAL A 18 19.157 13.279 -24.946 1.00 0.00 H new ATOM 0 HB VAL A 18 19.959 14.590 -26.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.149 13.474 -27.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.536 13.548 -25.408 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.447 12.023 -26.322 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.578 13.330 -28.979 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.810 11.874 -28.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.822 13.302 -28.694 1.00 0.00 H new ATOM 247 N TYR A 19 16.908 13.062 -27.341 1.00 0.00 N ATOM 248 CA TYR A 19 15.630 13.584 -27.810 1.00 0.00 C ATOM 249 C TYR A 19 14.477 13.034 -26.975 1.00 0.00 C ATOM 250 O TYR A 19 13.310 13.306 -27.254 1.00 0.00 O ATOM 251 CB TYR A 19 15.421 13.232 -29.284 1.00 0.00 C ATOM 252 CG TYR A 19 16.622 13.526 -30.153 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.845 14.803 -30.655 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.534 12.528 -30.474 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.942 15.076 -31.450 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.633 12.792 -31.267 1.00 0.00 C ATOM 257 CZ TYR A 19 18.833 14.068 -31.753 1.00 0.00 C ATOM 258 OH TYR A 19 19.926 14.335 -32.545 1.00 0.00 O ATOM 0 H TYR A 19 17.226 12.225 -27.830 1.00 0.00 H new ATOM 0 HA TYR A 19 15.648 14.668 -27.702 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.175 12.173 -29.365 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.564 13.788 -29.664 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.149 15.595 -30.420 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.380 11.528 -30.096 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.101 16.074 -31.832 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.332 12.004 -31.506 1.00 0.00 H new ATOM 0 HH TYR A 19 20.453 13.517 -32.661 1.00 0.00 H new ATOM 268 N TRP A 20 14.815 12.260 -25.950 1.00 0.00 N ATOM 269 CA TRP A 20 13.809 11.671 -25.073 1.00 0.00 C ATOM 270 C TRP A 20 12.840 12.734 -24.567 1.00 0.00 C ATOM 271 O TRP A 20 12.969 13.913 -24.896 1.00 0.00 O ATOM 272 CB TRP A 20 14.481 10.971 -23.891 1.00 0.00 C ATOM 273 CG TRP A 20 14.940 9.579 -24.208 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.888 8.956 -25.422 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.519 8.639 -23.297 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.399 7.684 -25.320 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.794 7.466 -24.027 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.833 8.675 -21.936 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.367 6.342 -23.439 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.401 7.557 -21.354 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.664 6.404 -22.105 1.00 0.00 C ATOM 0 H TRP A 20 15.777 12.026 -25.706 1.00 0.00 H new ATOM 0 HA TRP A 20 13.245 10.936 -25.648 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.337 11.563 -23.566 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.783 10.934 -23.055 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.502 9.398 -26.329 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.472 7.012 -26.083 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.636 9.560 -21.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.570 5.452 -24.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.646 7.573 -20.302 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.110 5.547 -21.621 1.00 0.00 H new ATOM 292 N SER A 21 11.870 12.309 -23.764 1.00 0.00 N ATOM 293 CA SER A 21 10.877 13.224 -23.214 1.00 0.00 C ATOM 294 C SER A 21 11.084 13.414 -21.715 1.00 0.00 C ATOM 295 O SER A 21 11.820 12.671 -21.065 1.00 0.00 O ATOM 296 CB SER A 21 9.465 12.699 -23.483 1.00 0.00 C ATOM 297 OG SER A 21 8.896 13.324 -24.620 1.00 0.00 O ATOM 0 H SER A 21 11.751 11.337 -23.480 1.00 0.00 H new ATOM 0 HA SER A 21 10.998 14.190 -23.705 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.498 11.620 -23.636 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.835 12.879 -22.612 1.00 0.00 H new ATOM 0 HG SER A 21 7.995 12.970 -24.771 1.00 0.00 H new ATOM 303 N PRO A 22 10.420 14.434 -21.151 1.00 0.00 N ATOM 304 CA PRO A 22 10.514 14.747 -19.722 1.00 0.00 C ATOM 305 C PRO A 22 9.834 13.695 -18.852 1.00 0.00 C ATOM 306 O PRO A 22 10.046 13.646 -17.640 1.00 0.00 O ATOM 307 CB PRO A 22 9.788 16.089 -19.604 1.00 0.00 C ATOM 308 CG PRO A 22 8.843 16.111 -20.756 1.00 0.00 C ATOM 309 CD PRO A 22 9.525 15.360 -21.865 1.00 0.00 C ATOM 0 HA PRO A 22 11.548 14.775 -19.378 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.258 16.170 -18.655 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.488 16.923 -19.650 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.895 15.642 -20.492 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.619 17.134 -21.058 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.808 14.825 -22.488 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.081 16.030 -22.521 1.00 0.00 H new ATOM 317 N LYS A 23 9.017 12.855 -19.478 1.00 0.00 N ATOM 318 CA LYS A 23 8.307 11.802 -18.762 1.00 0.00 C ATOM 319 C LYS A 23 9.053 10.476 -18.864 1.00 0.00 C ATOM 320 O LYS A 23 8.864 9.580 -18.041 1.00 0.00 O ATOM 321 CB LYS A 23 6.889 11.646 -19.317 1.00 0.00 C ATOM 322 CG LYS A 23 5.864 12.526 -18.624 1.00 0.00 C ATOM 323 CD LYS A 23 6.318 13.975 -18.570 1.00 0.00 C ATOM 324 CE LYS A 23 5.142 14.920 -18.372 1.00 0.00 C ATOM 325 NZ LYS A 23 4.412 14.639 -17.105 1.00 0.00 N ATOM 0 H LYS A 23 8.830 12.883 -20.480 1.00 0.00 H new ATOM 0 HA LYS A 23 8.250 12.086 -17.711 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.897 11.881 -20.381 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.584 10.604 -19.223 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.912 12.462 -19.151 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.693 12.159 -17.612 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.031 14.104 -17.756 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.839 14.229 -19.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.501 15.949 -18.364 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.456 14.828 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.661 15.346 -16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.990 13.689 -17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.075 14.685 -16.305 1.00 0.00 H new ATOM 339 N LYS A 24 9.903 10.357 -19.878 1.00 0.00 N ATOM 340 CA LYS A 24 10.680 9.141 -20.087 1.00 0.00 C ATOM 341 C LYS A 24 11.913 9.122 -19.189 1.00 0.00 C ATOM 342 O LYS A 24 12.140 8.164 -18.450 1.00 0.00 O ATOM 343 CB LYS A 24 11.103 9.027 -21.554 1.00 0.00 C ATOM 344 CG LYS A 24 12.267 8.078 -21.779 1.00 0.00 C ATOM 345 CD LYS A 24 11.956 6.682 -21.265 1.00 0.00 C ATOM 346 CE LYS A 24 13.146 5.750 -21.429 1.00 0.00 C ATOM 347 NZ LYS A 24 12.827 4.361 -20.996 1.00 0.00 N ATOM 0 H LYS A 24 10.071 11.089 -20.569 1.00 0.00 H new ATOM 0 HA LYS A 24 10.051 8.289 -19.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.251 8.690 -22.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.375 10.016 -21.923 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.499 8.032 -22.843 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.154 8.463 -21.276 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.676 6.735 -20.213 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.099 6.278 -21.803 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.460 5.742 -22.473 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.986 6.128 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.664 3.757 -21.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.552 4.365 -19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.042 3.990 -21.569 1.00 0.00 H new ATOM 361 N VAL A 25 12.705 10.187 -19.256 1.00 0.00 N ATOM 362 CA VAL A 25 13.914 10.293 -18.448 1.00 0.00 C ATOM 363 C VAL A 25 13.689 9.732 -17.048 1.00 0.00 C ATOM 364 O VAL A 25 14.579 9.111 -16.467 1.00 0.00 O ATOM 365 CB VAL A 25 14.386 11.754 -18.334 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.619 11.850 -17.448 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.665 12.333 -19.713 1.00 0.00 C ATOM 0 H VAL A 25 12.531 10.989 -19.862 1.00 0.00 H new ATOM 0 HA VAL A 25 14.684 9.709 -18.951 1.00 0.00 H new ATOM 0 HB VAL A 25 13.590 12.339 -17.873 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.938 12.890 -17.380 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.381 11.477 -16.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.423 11.252 -17.877 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.998 13.366 -19.613 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.443 11.747 -20.203 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.755 12.301 -20.312 1.00 0.00 H new ATOM 377 N ALA A 26 12.494 9.956 -16.512 1.00 0.00 N ATOM 378 CA ALA A 26 12.151 9.471 -15.181 1.00 0.00 C ATOM 379 C ALA A 26 12.052 7.949 -15.159 1.00 0.00 C ATOM 380 O ALA A 26 12.772 7.281 -14.417 1.00 0.00 O ATOM 381 CB ALA A 26 10.844 10.093 -14.712 1.00 0.00 C ATOM 0 H ALA A 26 11.747 10.470 -16.979 1.00 0.00 H new ATOM 0 HA ALA A 26 12.947 9.767 -14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.601 9.721 -13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.948 11.177 -14.679 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.045 9.826 -15.404 1.00 0.00 H new ATOM 387 N ASP A 27 11.157 7.408 -15.978 1.00 0.00 N ATOM 388 CA ASP A 27 10.964 5.964 -16.053 1.00 0.00 C ATOM 389 C ASP A 27 12.303 5.235 -16.037 1.00 0.00 C ATOM 390 O ASP A 27 12.431 4.164 -15.443 1.00 0.00 O ATOM 391 CB ASP A 27 10.185 5.598 -17.317 1.00 0.00 C ATOM 392 CG ASP A 27 8.686 5.588 -17.091 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.144 6.626 -16.654 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.053 4.544 -17.352 1.00 0.00 O ATOM 0 H ASP A 27 10.554 7.947 -16.599 1.00 0.00 H new ATOM 0 HA ASP A 27 10.391 5.653 -15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.426 6.309 -18.107 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.504 4.615 -17.665 1.00 0.00 H new ATOM 399 N TRP A 28 13.298 5.822 -16.693 1.00 0.00 N ATOM 400 CA TRP A 28 14.629 5.227 -16.754 1.00 0.00 C ATOM 401 C TRP A 28 15.259 5.161 -15.367 1.00 0.00 C ATOM 402 O TRP A 28 15.945 4.194 -15.032 1.00 0.00 O ATOM 403 CB TRP A 28 15.525 6.030 -17.698 1.00 0.00 C ATOM 404 CG TRP A 28 16.951 5.569 -17.698 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.454 4.458 -18.312 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.058 6.207 -17.050 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.806 4.366 -18.086 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.201 5.427 -17.315 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.195 7.361 -16.275 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.461 5.767 -16.830 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.446 7.696 -15.794 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.566 6.902 -16.074 1.00 0.00 C ATOM 0 H TRP A 28 13.209 6.708 -17.190 1.00 0.00 H new ATOM 0 HA TRP A 28 14.530 4.211 -17.136 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.128 5.961 -18.711 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.491 7.082 -17.413 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.874 3.754 -18.891 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.417 3.627 -18.436 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.338 7.981 -16.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.325 5.156 -17.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.563 8.585 -15.192 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.531 7.192 -15.685 1.00 0.00 H new ATOM 423 N LEU A 29 15.024 6.193 -14.565 1.00 0.00 N ATOM 424 CA LEU A 29 15.570 6.252 -13.214 1.00 0.00 C ATOM 425 C LEU A 29 15.006 5.129 -12.349 1.00 0.00 C ATOM 426 O LEU A 29 15.741 4.249 -11.899 1.00 0.00 O ATOM 427 CB LEU A 29 15.259 7.607 -12.576 1.00 0.00 C ATOM 428 CG LEU A 29 15.875 8.828 -13.260 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.208 10.106 -12.774 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.375 8.880 -13.010 1.00 0.00 C ATOM 0 H LEU A 29 14.459 7.001 -14.827 1.00 0.00 H new ATOM 0 HA LEU A 29 16.651 6.127 -13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.177 7.736 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.599 7.585 -11.541 1.00 0.00 H new ATOM 0 HG LEU A 29 15.708 8.741 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.660 10.964 -13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.143 10.071 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.343 10.200 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.796 9.755 -13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.563 8.943 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.842 7.979 -13.408 1.00 0.00 H new ATOM 442 N LEU A 30 13.697 5.164 -12.124 1.00 0.00 N ATOM 443 CA LEU A 30 13.033 4.147 -11.315 1.00 0.00 C ATOM 444 C LEU A 30 13.394 2.746 -11.798 1.00 0.00 C ATOM 445 O LEU A 30 13.481 1.809 -11.005 1.00 0.00 O ATOM 446 CB LEU A 30 11.517 4.340 -11.362 1.00 0.00 C ATOM 447 CG LEU A 30 11.021 5.785 -11.289 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.937 6.619 -10.406 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.928 6.388 -12.683 1.00 0.00 C ATOM 0 H LEU A 30 13.075 5.885 -12.490 1.00 0.00 H new ATOM 0 HA LEU A 30 13.375 4.256 -10.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.143 3.895 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.074 3.783 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 30 10.024 5.785 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.569 7.644 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.954 6.199 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.946 6.612 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.573 7.416 -12.612 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.912 6.375 -13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.232 5.805 -13.286 1.00 0.00 H new ATOM 461 N GLU A 31 13.605 2.612 -13.104 1.00 0.00 N ATOM 462 CA GLU A 31 13.959 1.325 -13.691 1.00 0.00 C ATOM 463 C GLU A 31 15.193 0.737 -13.012 1.00 0.00 C ATOM 464 O GLU A 31 15.378 -0.478 -12.981 1.00 0.00 O ATOM 465 CB GLU A 31 14.213 1.477 -15.192 1.00 0.00 C ATOM 466 CG GLU A 31 14.744 0.214 -15.850 1.00 0.00 C ATOM 467 CD GLU A 31 13.653 -0.801 -16.129 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.621 -0.416 -16.716 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.832 -1.981 -15.760 1.00 0.00 O ATOM 0 H GLU A 31 13.537 3.378 -13.774 1.00 0.00 H new ATOM 0 HA GLU A 31 13.123 0.643 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.284 1.769 -15.682 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.925 2.287 -15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.239 0.476 -16.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.499 -0.237 -15.206 1.00 0.00 H new ATOM 476 N ASN A 32 16.035 1.611 -12.470 1.00 0.00 N ATOM 477 CA ASN A 32 17.252 1.180 -11.792 1.00 0.00 C ATOM 478 C ASN A 32 17.212 1.552 -10.313 1.00 0.00 C ATOM 479 O ASN A 32 18.236 1.538 -9.631 1.00 0.00 O ATOM 480 CB ASN A 32 18.480 1.809 -12.454 1.00 0.00 C ATOM 481 CG ASN A 32 18.602 1.435 -13.918 1.00 0.00 C ATOM 482 OD1 ASN A 32 19.006 0.322 -14.254 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.252 2.366 -14.798 1.00 0.00 N ATOM 0 H ASN A 32 15.897 2.621 -12.487 1.00 0.00 H new ATOM 0 HA ASN A 32 17.319 0.095 -11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.423 2.894 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.378 1.491 -11.924 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.313 2.172 -15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.922 3.275 -14.474 1.00 0.00 H new ATOM 490 N ALA A 33 16.021 1.884 -9.824 1.00 0.00 N ATOM 491 CA ALA A 33 15.847 2.256 -8.425 1.00 0.00 C ATOM 492 C ALA A 33 16.505 3.600 -8.129 1.00 0.00 C ATOM 493 O ALA A 33 17.271 3.729 -7.174 1.00 0.00 O ATOM 494 CB ALA A 33 16.414 1.176 -7.516 1.00 0.00 C ATOM 0 H ALA A 33 15.163 1.903 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 33 14.779 2.353 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.277 1.468 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.895 0.236 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.477 1.050 -7.720 1.00 0.00 H new ATOM 500 N MET A 34 16.201 4.597 -8.954 1.00 0.00 N ATOM 501 CA MET A 34 16.765 5.930 -8.779 1.00 0.00 C ATOM 502 C MET A 34 15.662 6.983 -8.725 1.00 0.00 C ATOM 503 O MET A 34 15.722 8.014 -9.397 1.00 0.00 O ATOM 504 CB MET A 34 17.736 6.250 -9.917 1.00 0.00 C ATOM 505 CG MET A 34 18.737 5.140 -10.191 1.00 0.00 C ATOM 506 SD MET A 34 20.308 5.761 -10.823 1.00 0.00 S ATOM 507 CE MET A 34 19.923 5.948 -12.562 1.00 0.00 C ATOM 0 H MET A 34 15.568 4.507 -9.749 1.00 0.00 H new ATOM 0 HA MET A 34 17.307 5.947 -7.833 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.166 6.447 -10.825 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.277 7.165 -9.676 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.915 4.582 -9.272 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.311 4.441 -10.911 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.822 6.240 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.553 5.002 -12.956 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.159 6.716 -12.685 1.00 0.00 H new ATOM 517 N PRO A 35 14.631 6.721 -7.909 1.00 0.00 N ATOM 518 CA PRO A 35 13.496 7.634 -7.749 1.00 0.00 C ATOM 519 C PRO A 35 13.880 8.913 -7.013 1.00 0.00 C ATOM 520 O PRO A 35 13.104 9.867 -6.962 1.00 0.00 O ATOM 521 CB PRO A 35 12.499 6.819 -6.920 1.00 0.00 C ATOM 522 CG PRO A 35 13.338 5.840 -6.175 1.00 0.00 C ATOM 523 CD PRO A 35 14.495 5.513 -7.078 1.00 0.00 C ATOM 0 HA PRO A 35 13.102 7.966 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.936 7.457 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.773 6.314 -7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.686 6.262 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.768 4.944 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.403 5.311 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.295 4.629 -7.684 1.00 0.00 H new ATOM 531 N GLU A 36 15.082 8.926 -6.445 1.00 0.00 N ATOM 532 CA GLU A 36 15.566 10.088 -5.711 1.00 0.00 C ATOM 533 C GLU A 36 15.978 11.204 -6.667 1.00 0.00 C ATOM 534 O GLU A 36 15.936 12.384 -6.317 1.00 0.00 O ATOM 535 CB GLU A 36 16.751 9.701 -4.823 1.00 0.00 C ATOM 536 CG GLU A 36 18.006 9.348 -5.602 1.00 0.00 C ATOM 537 CD GLU A 36 18.029 7.898 -6.047 1.00 0.00 C ATOM 538 OE1 GLU A 36 17.227 7.102 -5.515 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.848 7.561 -6.927 1.00 0.00 O ATOM 0 H GLU A 36 15.737 8.145 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 36 14.753 10.452 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.973 10.527 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.467 8.850 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.079 9.994 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.881 9.548 -4.984 1.00 0.00 H new ATOM 546 N TYR A 37 16.375 10.822 -7.876 1.00 0.00 N ATOM 547 CA TYR A 37 16.797 11.788 -8.883 1.00 0.00 C ATOM 548 C TYR A 37 15.618 12.223 -9.749 1.00 0.00 C ATOM 549 O TYR A 37 15.721 13.173 -10.525 1.00 0.00 O ATOM 550 CB TYR A 37 17.898 11.192 -9.762 1.00 0.00 C ATOM 551 CG TYR A 37 19.210 10.994 -9.038 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.998 12.080 -8.678 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.661 9.720 -8.714 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.199 11.903 -8.017 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.860 9.534 -8.052 1.00 0.00 C ATOM 556 CZ TYR A 37 21.625 10.628 -7.706 1.00 0.00 C ATOM 557 OH TYR A 37 22.819 10.448 -7.047 1.00 0.00 O ATOM 0 H TYR A 37 16.413 9.850 -8.182 1.00 0.00 H new ATOM 0 HA TYR A 37 17.188 12.665 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.560 10.232 -10.153 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.061 11.845 -10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.667 13.079 -8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.065 8.861 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.801 12.758 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.196 8.537 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 37 23.020 11.243 -6.511 1.00 0.00 H new ATOM 567 N CYS A 38 14.499 11.521 -9.608 1.00 0.00 N ATOM 568 CA CYS A 38 13.300 11.832 -10.377 1.00 0.00 C ATOM 569 C CYS A 38 12.844 13.264 -10.117 1.00 0.00 C ATOM 570 O CYS A 38 12.397 13.959 -11.029 1.00 0.00 O ATOM 571 CB CYS A 38 12.177 10.855 -10.028 1.00 0.00 C ATOM 572 SG CYS A 38 10.997 10.576 -11.370 1.00 0.00 S ATOM 0 H CYS A 38 14.397 10.733 -8.968 1.00 0.00 H new ATOM 0 HA CYS A 38 13.541 11.733 -11.435 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.617 9.900 -9.741 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.639 11.232 -9.158 1.00 0.00 H new ATOM 0 HG CYS A 38 10.087 9.734 -10.979 1.00 0.00 H new ATOM 578 N GLU A 39 12.958 13.697 -8.865 1.00 0.00 N ATOM 579 CA GLU A 39 12.555 15.046 -8.485 1.00 0.00 C ATOM 580 C GLU A 39 13.317 16.091 -9.296 1.00 0.00 C ATOM 581 O GLU A 39 12.734 16.898 -10.019 1.00 0.00 O ATOM 582 CB GLU A 39 12.794 15.272 -6.990 1.00 0.00 C ATOM 583 CG GLU A 39 11.572 14.994 -6.130 1.00 0.00 C ATOM 584 CD GLU A 39 11.895 14.970 -4.649 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.764 15.758 -4.219 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.280 14.165 -3.920 1.00 0.00 O ATOM 0 H GLU A 39 13.326 13.134 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 39 11.491 15.152 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.613 14.632 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.112 16.303 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.817 15.756 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.139 14.037 -6.419 1.00 0.00 H new ATOM 593 N PRO A 40 14.653 16.075 -9.173 1.00 0.00 N ATOM 594 CA PRO A 40 15.524 17.013 -9.886 1.00 0.00 C ATOM 595 C PRO A 40 15.561 16.744 -11.387 1.00 0.00 C ATOM 596 O PRO A 40 15.942 17.610 -12.175 1.00 0.00 O ATOM 597 CB PRO A 40 16.900 16.763 -9.264 1.00 0.00 C ATOM 598 CG PRO A 40 16.838 15.363 -8.759 1.00 0.00 C ATOM 599 CD PRO A 40 15.415 15.140 -8.328 1.00 0.00 C ATOM 0 HA PRO A 40 15.179 18.042 -9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.695 16.884 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.103 17.467 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.126 14.655 -9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.525 15.218 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.103 14.108 -8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.278 15.353 -7.268 1.00 0.00 H new ATOM 607 N LEU A 41 15.163 15.538 -11.776 1.00 0.00 N ATOM 608 CA LEU A 41 15.151 15.153 -13.183 1.00 0.00 C ATOM 609 C LEU A 41 13.724 15.079 -13.716 1.00 0.00 C ATOM 610 O LEU A 41 13.488 14.595 -14.822 1.00 0.00 O ATOM 611 CB LEU A 41 15.848 13.804 -13.370 1.00 0.00 C ATOM 612 CG LEU A 41 17.293 13.722 -12.878 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.798 12.288 -12.941 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.188 14.641 -13.697 1.00 0.00 C ATOM 0 H LEU A 41 14.844 14.810 -11.137 1.00 0.00 H new ATOM 0 HA LEU A 41 15.690 15.915 -13.746 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.265 13.042 -12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.831 13.553 -14.431 1.00 0.00 H new ATOM 0 HG LEU A 41 17.322 14.050 -11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.828 12.249 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.174 11.654 -12.311 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.754 11.932 -13.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.213 14.570 -13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.154 14.343 -14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.839 15.669 -13.600 1.00 0.00 H new ATOM 626 N GLU A 42 12.775 15.565 -12.921 1.00 0.00 N ATOM 627 CA GLU A 42 11.371 15.554 -13.313 1.00 0.00 C ATOM 628 C GLU A 42 11.167 16.309 -14.624 1.00 0.00 C ATOM 629 O GLU A 42 10.404 15.878 -15.489 1.00 0.00 O ATOM 630 CB GLU A 42 10.506 16.175 -12.214 1.00 0.00 C ATOM 631 CG GLU A 42 10.715 17.670 -12.047 1.00 0.00 C ATOM 632 CD GLU A 42 10.107 18.205 -10.765 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.496 17.410 -10.021 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.243 19.419 -10.506 1.00 0.00 O ATOM 0 H GLU A 42 12.953 15.971 -12.002 1.00 0.00 H new ATOM 0 HA GLU A 42 11.069 14.517 -13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.456 15.986 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.723 15.678 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.783 17.887 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.277 18.192 -12.898 1.00 0.00 H new ATOM 641 N HIS A 43 11.853 17.439 -14.762 1.00 0.00 N ATOM 642 CA HIS A 43 11.747 18.255 -15.966 1.00 0.00 C ATOM 643 C HIS A 43 13.026 18.172 -16.793 1.00 0.00 C ATOM 644 O HIS A 43 13.352 19.090 -17.546 1.00 0.00 O ATOM 645 CB HIS A 43 11.459 19.711 -15.597 1.00 0.00 C ATOM 646 CG HIS A 43 12.419 20.277 -14.597 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.708 20.647 -14.917 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.272 20.536 -13.276 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.313 21.109 -13.836 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.462 21.053 -12.827 1.00 0.00 N ATOM 0 H HIS A 43 12.488 17.810 -14.055 1.00 0.00 H new ATOM 0 HA HIS A 43 10.922 17.869 -16.565 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.489 20.319 -16.501 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.447 19.783 -15.198 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.384 20.367 -12.685 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.329 21.471 -13.786 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.657 21.346 -11.870 1.00 0.00 H new ATOM 658 N PHE A 44 13.748 17.065 -16.647 1.00 0.00 N ATOM 659 CA PHE A 44 14.993 16.863 -17.379 1.00 0.00 C ATOM 660 C PHE A 44 14.752 16.051 -18.648 1.00 0.00 C ATOM 661 O PHE A 44 13.878 15.185 -18.689 1.00 0.00 O ATOM 662 CB PHE A 44 16.020 16.154 -16.494 1.00 0.00 C ATOM 663 CG PHE A 44 16.889 17.096 -15.711 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.327 18.014 -14.837 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.267 17.065 -15.848 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.124 18.882 -14.116 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.070 17.931 -15.129 1.00 0.00 C ATOM 668 CZ PHE A 44 18.497 18.840 -14.261 1.00 0.00 C ATOM 0 H PHE A 44 13.492 16.295 -16.029 1.00 0.00 H new ATOM 0 HA PHE A 44 15.381 17.841 -17.663 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.497 15.494 -15.802 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.652 15.523 -17.119 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.254 18.051 -14.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.720 16.356 -16.525 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.674 19.593 -13.439 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.143 17.897 -15.246 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.121 19.517 -13.697 1.00 0.00 H new ATOM 678 N THR A 45 15.534 16.338 -19.685 1.00 0.00 N ATOM 679 CA THR A 45 15.405 15.637 -20.956 1.00 0.00 C ATOM 680 C THR A 45 16.625 14.765 -21.230 1.00 0.00 C ATOM 681 O THR A 45 17.746 15.117 -20.865 1.00 0.00 O ATOM 682 CB THR A 45 15.221 16.624 -22.125 1.00 0.00 C ATOM 683 OG1 THR A 45 16.106 17.739 -21.968 1.00 0.00 O ATOM 684 CG2 THR A 45 13.784 17.117 -22.195 1.00 0.00 C ATOM 0 H THR A 45 16.263 17.051 -19.669 1.00 0.00 H new ATOM 0 HA THR A 45 14.520 15.005 -20.880 1.00 0.00 H new ATOM 0 HB THR A 45 15.455 16.102 -23.053 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.984 18.361 -22.716 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.678 17.812 -23.028 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.115 16.269 -22.343 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.527 17.623 -21.265 1.00 0.00 H new ATOM 692 N GLY A 46 16.399 13.625 -21.876 1.00 0.00 N ATOM 693 CA GLY A 46 17.490 12.720 -22.187 1.00 0.00 C ATOM 694 C GLY A 46 18.789 13.451 -22.464 1.00 0.00 C ATOM 695 O GLY A 46 19.860 13.001 -22.057 1.00 0.00 O ATOM 0 H GLY A 46 15.480 13.312 -22.189 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.635 12.031 -21.355 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.223 12.119 -23.056 1.00 0.00 H new ATOM 699 N GLN A 47 18.694 14.580 -23.158 1.00 0.00 N ATOM 700 CA GLN A 47 19.872 15.373 -23.491 1.00 0.00 C ATOM 701 C GLN A 47 20.494 15.976 -22.236 1.00 0.00 C ATOM 702 O GLN A 47 21.688 15.815 -21.984 1.00 0.00 O ATOM 703 CB GLN A 47 19.504 16.484 -24.476 1.00 0.00 C ATOM 704 CG GLN A 47 20.699 17.287 -24.962 1.00 0.00 C ATOM 705 CD GLN A 47 21.425 16.617 -26.112 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.934 16.593 -27.241 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.600 16.068 -25.831 1.00 0.00 N ATOM 0 H GLN A 47 17.814 14.966 -23.501 1.00 0.00 H new ATOM 0 HA GLN A 47 20.604 14.713 -23.956 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.999 16.043 -25.336 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.793 17.159 -24.000 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.364 18.276 -25.276 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.394 17.434 -24.135 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.969 16.111 -24.881 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.134 15.603 -26.565 1.00 0.00 H new ATOM 716 N ASP A 48 19.678 16.672 -21.452 1.00 0.00 N ATOM 717 CA ASP A 48 20.147 17.299 -20.222 1.00 0.00 C ATOM 718 C ASP A 48 20.635 16.248 -19.229 1.00 0.00 C ATOM 719 O ASP A 48 21.652 16.436 -18.560 1.00 0.00 O ATOM 720 CB ASP A 48 19.032 18.135 -19.592 1.00 0.00 C ATOM 721 CG ASP A 48 18.908 19.506 -20.227 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.108 19.611 -21.455 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.612 20.474 -19.496 1.00 0.00 O ATOM 0 H ASP A 48 18.687 16.816 -21.647 1.00 0.00 H new ATOM 0 HA ASP A 48 20.982 17.953 -20.472 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.085 17.605 -19.690 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.225 18.248 -18.525 1.00 0.00 H new ATOM 728 N LEU A 49 19.903 15.143 -19.138 1.00 0.00 N ATOM 729 CA LEU A 49 20.261 14.062 -18.227 1.00 0.00 C ATOM 730 C LEU A 49 21.679 13.569 -18.496 1.00 0.00 C ATOM 731 O LEU A 49 22.484 13.431 -17.574 1.00 0.00 O ATOM 732 CB LEU A 49 19.272 12.903 -18.365 1.00 0.00 C ATOM 733 CG LEU A 49 19.719 11.564 -17.778 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.522 10.781 -17.262 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.482 10.754 -18.816 1.00 0.00 C ATOM 0 H LEU A 49 19.058 14.972 -19.684 1.00 0.00 H new ATOM 0 HA LEU A 49 20.218 14.450 -17.209 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.336 13.192 -17.887 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.058 12.759 -19.424 1.00 0.00 H new ATOM 0 HG LEU A 49 20.386 11.762 -16.939 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.860 9.831 -16.848 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.018 11.357 -16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.829 10.593 -18.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.792 9.804 -18.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.839 10.566 -19.676 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.362 11.311 -19.137 1.00 0.00 H new ATOM 747 N ILE A 50 21.979 13.308 -19.764 1.00 0.00 N ATOM 748 CA ILE A 50 23.301 12.835 -20.154 1.00 0.00 C ATOM 749 C ILE A 50 24.354 13.920 -19.954 1.00 0.00 C ATOM 750 O ILE A 50 25.547 13.632 -19.872 1.00 0.00 O ATOM 751 CB ILE A 50 23.324 12.379 -21.625 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.160 13.581 -22.557 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.231 11.352 -21.878 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.892 13.431 -23.872 1.00 0.00 C ATOM 0 H ILE A 50 21.324 13.416 -20.539 1.00 0.00 H new ATOM 0 HA ILE A 50 23.533 11.984 -19.514 1.00 0.00 H new ATOM 0 HB ILE A 50 24.288 11.913 -21.831 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.099 13.734 -22.756 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.521 14.476 -22.050 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.260 11.039 -22.922 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.390 10.486 -21.235 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.259 11.794 -21.658 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.731 14.320 -24.482 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.959 13.309 -23.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.515 12.556 -24.401 1.00 0.00 H new ATOM 766 N ASN A 51 23.903 15.167 -19.873 1.00 0.00 N ATOM 767 CA ASN A 51 24.806 16.296 -19.681 1.00 0.00 C ATOM 768 C ASN A 51 25.097 16.514 -18.199 1.00 0.00 C ATOM 769 O ASN A 51 25.605 17.564 -17.803 1.00 0.00 O ATOM 770 CB ASN A 51 24.205 17.566 -20.286 1.00 0.00 C ATOM 771 CG ASN A 51 24.367 17.621 -21.793 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.311 17.057 -22.348 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.445 18.302 -22.463 1.00 0.00 N ATOM 0 H ASN A 51 22.917 15.422 -19.937 1.00 0.00 H new ATOM 0 HA ASN A 51 25.744 16.069 -20.188 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.146 17.619 -20.035 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.682 18.439 -19.840 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.502 18.374 -23.479 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.680 18.754 -21.962 1.00 0.00 H new ATOM 780 N LEU A 52 24.772 15.516 -17.385 1.00 0.00 N ATOM 781 CA LEU A 52 24.999 15.597 -15.946 1.00 0.00 C ATOM 782 C LEU A 52 26.406 15.128 -15.589 1.00 0.00 C ATOM 783 O LEU A 52 26.903 14.145 -16.139 1.00 0.00 O ATOM 784 CB LEU A 52 23.964 14.755 -15.198 1.00 0.00 C ATOM 785 CG LEU A 52 22.541 15.314 -15.166 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.645 14.443 -14.299 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.543 16.749 -14.661 1.00 0.00 C ATOM 0 H LEU A 52 24.350 14.641 -17.697 1.00 0.00 H new ATOM 0 HA LEU A 52 24.896 16.640 -15.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.934 13.765 -15.652 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.305 14.624 -14.171 1.00 0.00 H new ATOM 0 HG LEU A 52 22.146 15.308 -16.182 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.636 14.856 -14.288 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.618 13.432 -14.704 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.037 14.416 -13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.522 17.130 -14.645 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.958 16.780 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.151 17.367 -15.322 1.00 0.00 H new ATOM 799 N THR A 53 27.044 15.838 -14.664 1.00 0.00 N ATOM 800 CA THR A 53 28.393 15.494 -14.232 1.00 0.00 C ATOM 801 C THR A 53 28.520 15.568 -12.714 1.00 0.00 C ATOM 802 O THR A 53 27.683 16.169 -12.041 1.00 0.00 O ATOM 803 CB THR A 53 29.441 16.426 -14.869 1.00 0.00 C ATOM 804 OG1 THR A 53 29.138 17.790 -14.558 1.00 0.00 O ATOM 805 CG2 THR A 53 29.482 16.241 -16.378 1.00 0.00 C ATOM 0 H THR A 53 26.648 16.655 -14.199 1.00 0.00 H new ATOM 0 HA THR A 53 28.579 14.471 -14.560 1.00 0.00 H new ATOM 0 HB THR A 53 30.419 16.170 -14.461 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.167 17.923 -14.583 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.229 16.909 -16.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.742 15.209 -16.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.504 16.472 -16.800 1.00 0.00 H new ATOM 813 N GLN A 54 29.572 14.954 -12.183 1.00 0.00 N ATOM 814 CA GLN A 54 29.807 14.950 -10.744 1.00 0.00 C ATOM 815 C GLN A 54 29.776 16.368 -10.184 1.00 0.00 C ATOM 816 O GLN A 54 29.376 16.585 -9.040 1.00 0.00 O ATOM 817 CB GLN A 54 31.152 14.293 -10.427 1.00 0.00 C ATOM 818 CG GLN A 54 31.282 13.840 -8.982 1.00 0.00 C ATOM 819 CD GLN A 54 32.223 12.662 -8.822 1.00 0.00 C ATOM 820 OE1 GLN A 54 31.840 11.613 -8.303 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.462 12.829 -9.270 1.00 0.00 N ATOM 0 H GLN A 54 30.275 14.453 -12.727 1.00 0.00 H new ATOM 0 HA GLN A 54 29.010 14.375 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.290 13.433 -11.082 1.00 0.00 H new ATOM 0 HB3 GLN A 54 31.953 14.997 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.641 14.672 -8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.298 13.568 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 54 33.736 13.716 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.139 12.071 -9.191 1.00 0.00 H new ATOM 830 N GLU A 55 30.201 17.330 -10.997 1.00 0.00 N ATOM 831 CA GLU A 55 30.222 18.728 -10.582 1.00 0.00 C ATOM 832 C GLU A 55 28.803 19.268 -10.420 1.00 0.00 C ATOM 833 O GLU A 55 28.575 20.233 -9.690 1.00 0.00 O ATOM 834 CB GLU A 55 30.988 19.575 -11.599 1.00 0.00 C ATOM 835 CG GLU A 55 30.104 20.180 -12.676 1.00 0.00 C ATOM 836 CD GLU A 55 30.900 20.732 -13.843 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.428 19.924 -14.636 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.997 21.972 -13.962 1.00 0.00 O ATOM 0 H GLU A 55 30.535 17.167 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 55 30.728 18.786 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.507 20.377 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.751 18.957 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.411 19.422 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.503 20.979 -12.241 1.00 0.00 H new ATOM 845 N ASP A 56 27.856 18.639 -11.105 1.00 0.00 N ATOM 846 CA ASP A 56 26.459 19.055 -11.038 1.00 0.00 C ATOM 847 C ASP A 56 25.809 18.566 -9.748 1.00 0.00 C ATOM 848 O ASP A 56 24.684 18.949 -9.424 1.00 0.00 O ATOM 849 CB ASP A 56 25.687 18.522 -12.246 1.00 0.00 C ATOM 850 CG ASP A 56 25.956 19.324 -13.504 1.00 0.00 C ATOM 851 OD1 ASP A 56 25.654 20.536 -13.510 1.00 0.00 O ATOM 852 OD2 ASP A 56 26.466 18.740 -14.483 1.00 0.00 O ATOM 0 H ASP A 56 28.029 17.839 -11.714 1.00 0.00 H new ATOM 0 HA ASP A 56 26.429 20.145 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.960 17.481 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.619 18.540 -12.028 1.00 0.00 H new ATOM 857 N PHE A 57 26.523 17.719 -9.015 1.00 0.00 N ATOM 858 CA PHE A 57 26.015 17.177 -7.760 1.00 0.00 C ATOM 859 C PHE A 57 26.390 18.078 -6.587 1.00 0.00 C ATOM 860 O PHE A 57 25.582 18.316 -5.689 1.00 0.00 O ATOM 861 CB PHE A 57 26.562 15.767 -7.530 1.00 0.00 C ATOM 862 CG PHE A 57 25.892 14.719 -8.372 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.112 14.664 -9.739 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.042 13.788 -7.796 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.496 13.702 -10.516 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.423 12.822 -8.568 1.00 0.00 C ATOM 867 CZ PHE A 57 24.651 12.779 -9.930 1.00 0.00 C ATOM 0 H PHE A 57 27.456 17.393 -9.268 1.00 0.00 H new ATOM 0 HA PHE A 57 24.928 17.131 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.631 15.762 -7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.443 15.507 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 57 26.773 15.382 -10.202 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.861 13.817 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 57 25.675 13.671 -11.581 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.763 12.102 -8.107 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.170 12.025 -10.536 1.00 0.00 H new ATOM 877 N LYS A 58 27.622 18.575 -6.601 1.00 0.00 N ATOM 878 CA LYS A 58 28.106 19.451 -5.541 1.00 0.00 C ATOM 879 C LYS A 58 27.187 20.656 -5.368 1.00 0.00 C ATOM 880 O LYS A 58 27.229 21.340 -4.345 1.00 0.00 O ATOM 881 CB LYS A 58 29.529 19.921 -5.850 1.00 0.00 C ATOM 882 CG LYS A 58 29.737 20.318 -7.302 1.00 0.00 C ATOM 883 CD LYS A 58 31.006 21.133 -7.481 1.00 0.00 C ATOM 884 CE LYS A 58 32.208 20.242 -7.755 1.00 0.00 C ATOM 885 NZ LYS A 58 33.490 20.917 -7.410 1.00 0.00 N ATOM 0 H LYS A 58 28.304 18.386 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 58 28.111 18.884 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.768 20.772 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.229 19.125 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.788 19.422 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 58 28.880 20.896 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 58 30.876 21.834 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.188 21.726 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.116 19.321 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.218 19.960 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.285 20.277 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.590 21.783 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 33.492 21.164 -6.400 1.00 0.00 H new ATOM 899 N LYS A 59 26.357 20.910 -6.374 1.00 0.00 N ATOM 900 CA LYS A 59 25.425 22.031 -6.333 1.00 0.00 C ATOM 901 C LYS A 59 24.015 21.580 -6.699 1.00 0.00 C ATOM 902 O LYS A 59 23.809 20.512 -7.277 1.00 0.00 O ATOM 903 CB LYS A 59 25.883 23.136 -7.287 1.00 0.00 C ATOM 904 CG LYS A 59 26.719 22.629 -8.448 1.00 0.00 C ATOM 905 CD LYS A 59 26.758 23.633 -9.588 1.00 0.00 C ATOM 906 CE LYS A 59 27.048 22.956 -10.918 1.00 0.00 C ATOM 907 NZ LYS A 59 27.246 23.945 -12.014 1.00 0.00 N ATOM 0 H LYS A 59 26.311 20.354 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 59 25.409 22.421 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 59 25.007 23.652 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.462 23.871 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.734 22.427 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.309 21.685 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.804 24.157 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.522 24.384 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.940 22.336 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.223 22.291 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.441 23.443 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.386 24.520 -12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.049 24.564 -11.782 1.00 0.00 H new ATOM 921 N PRO A 60 23.019 22.411 -6.358 1.00 0.00 N ATOM 922 CA PRO A 60 21.611 22.119 -6.644 1.00 0.00 C ATOM 923 C PRO A 60 21.295 22.194 -8.134 1.00 0.00 C ATOM 924 O PRO A 60 22.044 22.769 -8.924 1.00 0.00 O ATOM 925 CB PRO A 60 20.860 23.214 -5.882 1.00 0.00 C ATOM 926 CG PRO A 60 21.833 24.337 -5.776 1.00 0.00 C ATOM 927 CD PRO A 60 23.191 23.700 -5.667 1.00 0.00 C ATOM 0 HA PRO A 60 21.335 21.108 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.959 23.520 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.547 22.867 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.776 24.987 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.621 24.956 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.960 24.310 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.488 23.562 -4.627 1.00 0.00 H new ATOM 935 N PRO A 61 20.158 21.601 -8.529 1.00 0.00 N ATOM 936 CA PRO A 61 19.260 20.913 -7.597 1.00 0.00 C ATOM 937 C PRO A 61 19.863 19.620 -7.059 1.00 0.00 C ATOM 938 O PRO A 61 19.740 19.313 -5.872 1.00 0.00 O ATOM 939 CB PRO A 61 18.026 20.612 -8.452 1.00 0.00 C ATOM 940 CG PRO A 61 18.537 20.563 -9.851 1.00 0.00 C ATOM 941 CD PRO A 61 19.664 21.556 -9.915 1.00 0.00 C ATOM 0 HA PRO A 61 19.048 21.516 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.567 19.666 -8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.265 21.384 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.884 19.561 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.752 20.818 -10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.442 21.237 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.319 22.534 -10.251 1.00 0.00 H new ATOM 949 N LEU A 62 20.514 18.866 -7.937 1.00 0.00 N ATOM 950 CA LEU A 62 21.138 17.605 -7.549 1.00 0.00 C ATOM 951 C LEU A 62 22.180 17.828 -6.457 1.00 0.00 C ATOM 952 O LEU A 62 23.305 18.244 -6.734 1.00 0.00 O ATOM 953 CB LEU A 62 21.789 16.940 -8.763 1.00 0.00 C ATOM 954 CG LEU A 62 20.878 16.708 -9.969 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.680 16.750 -11.260 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.147 15.380 -9.837 1.00 0.00 C ATOM 0 H LEU A 62 20.624 19.105 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 62 20.361 16.949 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.631 17.555 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.197 15.979 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 62 20.137 17.507 -9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.015 16.583 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.157 17.725 -11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.444 15.972 -11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.503 15.231 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.873 14.569 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.540 15.387 -8.931 1.00 0.00 H new ATOM 968 N TYR A 63 21.799 17.545 -5.217 1.00 0.00 N ATOM 969 CA TYR A 63 22.701 17.713 -4.083 1.00 0.00 C ATOM 970 C TYR A 63 22.386 16.705 -2.982 1.00 0.00 C ATOM 971 O TYR A 63 21.233 16.547 -2.581 1.00 0.00 O ATOM 972 CB TYR A 63 22.600 19.136 -3.531 1.00 0.00 C ATOM 973 CG TYR A 63 23.599 19.434 -2.436 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.958 19.220 -2.633 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.185 19.928 -1.206 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.875 19.490 -1.635 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.095 20.202 -0.203 1.00 0.00 C ATOM 978 CZ TYR A 63 25.438 19.981 -0.422 1.00 0.00 C ATOM 979 OH TYR A 63 26.348 20.251 0.574 1.00 0.00 O ATOM 0 H TYR A 63 20.872 17.198 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 63 23.719 17.537 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.746 19.844 -4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.593 19.297 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.303 18.836 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.134 20.101 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.928 19.318 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.756 20.587 0.747 1.00 0.00 H new ATOM 0 HH TYR A 63 25.878 20.591 1.363 1.00 0.00 H new ATOM 989 N ARG A 64 23.420 16.026 -2.497 1.00 0.00 N ATOM 990 CA ARG A 64 23.255 15.032 -1.443 1.00 0.00 C ATOM 991 C ARG A 64 22.169 14.026 -1.811 1.00 0.00 C ATOM 992 O ARG A 64 21.512 13.458 -0.938 1.00 0.00 O ATOM 993 CB ARG A 64 22.907 15.714 -0.119 1.00 0.00 C ATOM 994 CG ARG A 64 23.833 16.866 0.235 1.00 0.00 C ATOM 995 CD ARG A 64 25.294 16.457 0.134 1.00 0.00 C ATOM 996 NE ARG A 64 25.677 15.530 1.196 1.00 0.00 N ATOM 997 CZ ARG A 64 26.042 15.917 2.413 1.00 0.00 C ATOM 998 NH1 ARG A 64 26.072 17.206 2.722 1.00 0.00 N ATOM 999 NH2 ARG A 64 26.376 15.013 3.325 1.00 0.00 N ATOM 0 H ARG A 64 24.381 16.146 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 64 24.198 14.498 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.883 16.084 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.940 14.974 0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.642 17.706 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.619 17.208 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.474 15.992 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.924 17.345 0.184 1.00 0.00 H new ATOM 0 HE ARG A 64 25.663 14.531 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.814 17.904 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.353 17.500 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.353 14.020 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.656 15.311 4.259 1.00 0.00 H new ATOM 1013 N VAL A 65 21.984 13.810 -3.109 1.00 0.00 N ATOM 1014 CA VAL A 65 20.978 12.871 -3.593 1.00 0.00 C ATOM 1015 C VAL A 65 21.373 11.433 -3.278 1.00 0.00 C ATOM 1016 O VAL A 65 20.516 10.580 -3.044 1.00 0.00 O ATOM 1017 CB VAL A 65 20.762 13.013 -5.111 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.466 12.338 -5.532 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.765 14.479 -5.515 1.00 0.00 C ATOM 0 H VAL A 65 22.518 14.272 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 65 20.047 13.110 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 65 21.585 12.517 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.331 12.449 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.509 11.279 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.628 12.802 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.611 14.560 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.963 15.002 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.723 14.927 -5.251 1.00 0.00 H new ATOM 1029 N SER A 66 22.676 11.170 -3.274 1.00 0.00 N ATOM 1030 CA SER A 66 23.185 9.833 -2.992 1.00 0.00 C ATOM 1031 C SER A 66 24.366 9.894 -2.028 1.00 0.00 C ATOM 1032 O SER A 66 25.075 10.898 -1.961 1.00 0.00 O ATOM 1033 CB SER A 66 23.605 9.139 -4.289 1.00 0.00 C ATOM 1034 OG SER A 66 23.800 7.751 -4.085 1.00 0.00 O ATOM 0 H SER A 66 23.398 11.865 -3.463 1.00 0.00 H new ATOM 0 HA SER A 66 22.386 9.258 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.842 9.294 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.525 9.587 -4.663 1.00 0.00 H new ATOM 0 HG SER A 66 24.066 7.330 -4.929 1.00 0.00 H new ATOM 1040 N SER A 67 24.571 8.812 -1.284 1.00 0.00 N ATOM 1041 CA SER A 67 25.665 8.742 -0.322 1.00 0.00 C ATOM 1042 C SER A 67 27.010 8.642 -1.034 1.00 0.00 C ATOM 1043 O SER A 67 28.023 9.141 -0.544 1.00 0.00 O ATOM 1044 CB SER A 67 25.477 7.543 0.609 1.00 0.00 C ATOM 1045 OG SER A 67 24.557 7.840 1.645 1.00 0.00 O ATOM 0 H SER A 67 23.994 7.972 -1.329 1.00 0.00 H new ATOM 0 HA SER A 67 25.655 9.658 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.121 6.687 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.437 7.260 1.041 1.00 0.00 H new ATOM 0 HG SER A 67 24.453 7.057 2.225 1.00 0.00 H new ATOM 1051 N ASP A 68 27.011 7.993 -2.193 1.00 0.00 N ATOM 1052 CA ASP A 68 28.231 7.828 -2.976 1.00 0.00 C ATOM 1053 C ASP A 68 28.501 9.063 -3.830 1.00 0.00 C ATOM 1054 O ASP A 68 28.999 8.959 -4.949 1.00 0.00 O ATOM 1055 CB ASP A 68 28.126 6.590 -3.867 1.00 0.00 C ATOM 1056 CG ASP A 68 28.361 5.303 -3.101 1.00 0.00 C ATOM 1057 OD1 ASP A 68 29.402 5.201 -2.419 1.00 0.00 O ATOM 1058 OD2 ASP A 68 27.504 4.398 -3.183 1.00 0.00 O ATOM 0 H ASP A 68 26.181 7.573 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 68 29.063 7.699 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 68 27.138 6.560 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 28.853 6.666 -4.676 1.00 0.00 H new ATOM 1063 N ASN A 69 28.167 10.232 -3.292 1.00 0.00 N ATOM 1064 CA ASN A 69 28.370 11.487 -4.006 1.00 0.00 C ATOM 1065 C ASN A 69 27.674 11.460 -5.364 1.00 0.00 C ATOM 1066 O ASN A 69 28.069 12.167 -6.290 1.00 0.00 O ATOM 1067 CB ASN A 69 29.864 11.756 -4.192 1.00 0.00 C ATOM 1068 CG ASN A 69 30.658 11.511 -2.923 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.342 12.056 -1.865 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.695 10.687 -3.024 1.00 0.00 N ATOM 0 H ASN A 69 27.755 10.336 -2.365 1.00 0.00 H new ATOM 0 HA ASN A 69 27.934 12.289 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.249 11.118 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.007 12.788 -4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.266 10.483 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.920 10.258 -3.922 1.00 0.00 H new ATOM 1077 N GLY A 70 26.635 10.637 -5.474 1.00 0.00 N ATOM 1078 CA GLY A 70 25.901 10.533 -6.721 1.00 0.00 C ATOM 1079 C GLY A 70 26.646 9.728 -7.767 1.00 0.00 C ATOM 1080 O GLY A 70 26.410 9.886 -8.965 1.00 0.00 O ATOM 0 H GLY A 70 26.289 10.041 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 70 24.933 10.069 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 70 25.705 11.533 -7.108 1.00 0.00 H new ATOM 1084 N GLN A 71 27.548 8.863 -7.315 1.00 0.00 N ATOM 1085 CA GLN A 71 28.332 8.033 -8.221 1.00 0.00 C ATOM 1086 C GLN A 71 27.433 7.076 -8.997 1.00 0.00 C ATOM 1087 O GLN A 71 27.598 6.894 -10.203 1.00 0.00 O ATOM 1088 CB GLN A 71 29.385 7.243 -7.442 1.00 0.00 C ATOM 1089 CG GLN A 71 30.161 6.256 -8.297 1.00 0.00 C ATOM 1090 CD GLN A 71 31.390 6.875 -8.934 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.461 6.921 -8.328 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.242 7.355 -10.163 1.00 0.00 N ATOM 0 H GLN A 71 27.754 8.719 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 71 28.834 8.690 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.085 7.941 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.896 6.703 -6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.463 5.408 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.508 5.867 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.336 7.296 -10.628 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.034 7.783 -10.642 1.00 0.00 H new ATOM 1101 N ARG A 72 26.482 6.466 -8.297 1.00 0.00 N ATOM 1102 CA ARG A 72 25.559 5.525 -8.920 1.00 0.00 C ATOM 1103 C ARG A 72 24.980 6.103 -10.208 1.00 0.00 C ATOM 1104 O ARG A 72 25.249 5.603 -11.301 1.00 0.00 O ATOM 1105 CB ARG A 72 24.427 5.173 -7.953 1.00 0.00 C ATOM 1106 CG ARG A 72 23.562 4.015 -8.424 1.00 0.00 C ATOM 1107 CD ARG A 72 22.997 3.229 -7.251 1.00 0.00 C ATOM 1108 NE ARG A 72 23.986 2.324 -6.671 1.00 0.00 N ATOM 1109 CZ ARG A 72 24.260 1.121 -7.165 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.624 0.682 -8.242 1.00 0.00 N ATOM 1111 NH2 ARG A 72 25.173 0.356 -6.581 1.00 0.00 N ATOM 0 H ARG A 72 26.331 6.607 -7.298 1.00 0.00 H new ATOM 0 HA ARG A 72 26.114 4.619 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.854 4.925 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.797 6.051 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.744 4.396 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.152 3.352 -9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.647 3.922 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.131 2.656 -7.582 1.00 0.00 H new ATOM 0 HE ARG A 72 24.494 2.632 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.922 1.268 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.837 -0.242 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.665 0.691 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.383 -0.567 -6.960 1.00 0.00 H new ATOM 1125 N LEU A 73 24.185 7.158 -10.071 1.00 0.00 N ATOM 1126 CA LEU A 73 23.566 7.804 -11.224 1.00 0.00 C ATOM 1127 C LEU A 73 24.588 8.036 -12.332 1.00 0.00 C ATOM 1128 O LEU A 73 24.371 7.652 -13.482 1.00 0.00 O ATOM 1129 CB LEU A 73 22.935 9.135 -10.810 1.00 0.00 C ATOM 1130 CG LEU A 73 22.334 9.972 -11.939 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.288 9.171 -12.699 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.729 11.255 -11.388 1.00 0.00 C ATOM 0 H LEU A 73 23.954 7.585 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 73 22.788 7.143 -11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.152 8.931 -10.079 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.694 9.733 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 73 23.132 10.238 -12.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.871 9.783 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.751 8.281 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.491 8.874 -12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.306 11.838 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.944 11.009 -10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.504 11.838 -10.890 1.00 0.00 H new ATOM 1144 N LEU A 74 25.704 8.664 -11.978 1.00 0.00 N ATOM 1145 CA LEU A 74 26.762 8.946 -12.943 1.00 0.00 C ATOM 1146 C LEU A 74 27.111 7.699 -13.748 1.00 0.00 C ATOM 1147 O LEU A 74 27.013 7.692 -14.975 1.00 0.00 O ATOM 1148 CB LEU A 74 28.007 9.469 -12.225 1.00 0.00 C ATOM 1149 CG LEU A 74 27.870 10.835 -11.551 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.101 11.142 -10.713 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.646 11.922 -12.592 1.00 0.00 C ATOM 0 H LEU A 74 25.900 8.988 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 74 26.399 9.710 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.298 8.741 -11.468 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.822 9.522 -12.946 1.00 0.00 H new ATOM 0 HG LEU A 74 27.004 10.808 -10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 74 28.986 12.118 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.217 10.378 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 74 29.984 11.150 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.551 12.887 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.493 11.949 -13.278 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.734 11.709 -13.150 1.00 0.00 H new ATOM 1163 N ASP A 75 27.517 6.644 -13.050 1.00 0.00 N ATOM 1164 CA ASP A 75 27.878 5.389 -13.699 1.00 0.00 C ATOM 1165 C ASP A 75 26.720 4.861 -14.540 1.00 0.00 C ATOM 1166 O ASP A 75 26.925 4.116 -15.498 1.00 0.00 O ATOM 1167 CB ASP A 75 28.283 4.348 -12.655 1.00 0.00 C ATOM 1168 CG ASP A 75 29.776 4.341 -12.394 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.537 4.758 -13.292 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.184 3.917 -11.292 1.00 0.00 O ATOM 0 H ASP A 75 27.604 6.633 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 75 28.725 5.579 -14.358 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.755 4.548 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.971 3.359 -12.992 1.00 0.00 H new ATOM 1175 N MET A 76 25.503 5.251 -14.174 1.00 0.00 N ATOM 1176 CA MET A 76 24.312 4.816 -14.895 1.00 0.00 C ATOM 1177 C MET A 76 24.107 5.649 -16.157 1.00 0.00 C ATOM 1178 O MET A 76 23.522 5.178 -17.133 1.00 0.00 O ATOM 1179 CB MET A 76 23.079 4.919 -13.995 1.00 0.00 C ATOM 1180 CG MET A 76 23.005 3.829 -12.939 1.00 0.00 C ATOM 1181 SD MET A 76 23.123 2.172 -13.641 1.00 0.00 S ATOM 1182 CE MET A 76 21.790 2.216 -14.836 1.00 0.00 C ATOM 0 H MET A 76 25.316 5.867 -13.383 1.00 0.00 H new ATOM 0 HA MET A 76 24.453 3.775 -15.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 23.079 5.891 -13.502 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.183 4.875 -14.614 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.810 3.972 -12.218 1.00 0.00 H new ATOM 0 HG3 MET A 76 22.067 3.922 -12.392 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.380 1.214 -14.961 1.00 0.00 H new ATOM 0 HE2 MET A 76 21.007 2.887 -14.483 1.00 0.00 H new ATOM 0 HE3 MET A 76 22.171 2.574 -15.793 1.00 0.00 H new ATOM 1192 N ILE A 77 24.590 6.886 -16.129 1.00 0.00 N ATOM 1193 CA ILE A 77 24.459 7.782 -17.271 1.00 0.00 C ATOM 1194 C ILE A 77 25.610 7.593 -18.253 1.00 0.00 C ATOM 1195 O ILE A 77 25.407 7.578 -19.466 1.00 0.00 O ATOM 1196 CB ILE A 77 24.415 9.256 -16.827 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.256 9.484 -15.854 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.286 10.170 -18.036 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.250 10.864 -15.233 1.00 0.00 C ATOM 0 H ILE A 77 25.075 7.291 -15.328 1.00 0.00 H new ATOM 0 HA ILE A 77 23.520 7.531 -17.763 1.00 0.00 H new ATOM 0 HB ILE A 77 25.347 9.493 -16.314 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.314 9.327 -16.380 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.306 8.738 -15.061 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.256 11.208 -17.706 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.141 10.024 -18.696 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.368 9.934 -18.574 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.401 10.954 -14.555 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.176 11.017 -14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.169 11.616 -16.018 1.00 0.00 H new ATOM 1211 N GLU A 78 26.819 7.447 -17.719 1.00 0.00 N ATOM 1212 CA GLU A 78 28.002 7.256 -18.549 1.00 0.00 C ATOM 1213 C GLU A 78 27.713 6.290 -19.694 1.00 0.00 C ATOM 1214 O GLU A 78 28.101 6.530 -20.838 1.00 0.00 O ATOM 1215 CB GLU A 78 29.165 6.731 -17.705 1.00 0.00 C ATOM 1216 CG GLU A 78 30.530 7.175 -18.205 1.00 0.00 C ATOM 1217 CD GLU A 78 31.078 6.265 -19.288 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.572 5.170 -18.949 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.013 6.650 -20.474 1.00 0.00 O ATOM 0 H GLU A 78 27.004 7.457 -16.716 1.00 0.00 H new ATOM 0 HA GLU A 78 28.277 8.222 -18.972 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.037 7.068 -16.676 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.130 5.642 -17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.458 8.192 -18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.229 7.200 -17.369 1.00 0.00 H new ATOM 1226 N THR A 79 27.030 5.195 -19.378 1.00 0.00 N ATOM 1227 CA THR A 79 26.689 4.191 -20.378 1.00 0.00 C ATOM 1228 C THR A 79 25.723 4.753 -21.415 1.00 0.00 C ATOM 1229 O THR A 79 25.744 4.353 -22.579 1.00 0.00 O ATOM 1230 CB THR A 79 26.060 2.943 -19.731 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.201 1.815 -20.601 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.588 3.175 -19.427 1.00 0.00 C ATOM 0 H THR A 79 26.702 4.980 -18.436 1.00 0.00 H new ATOM 0 HA THR A 79 27.620 3.906 -20.869 1.00 0.00 H new ATOM 0 HB THR A 79 26.581 2.745 -18.794 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.800 1.026 -20.181 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.165 2.280 -18.971 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.486 4.015 -18.740 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.056 3.396 -20.352 1.00 0.00 H new ATOM 1240 N LEU A 80 24.878 5.684 -20.985 1.00 0.00 N ATOM 1241 CA LEU A 80 23.903 6.302 -21.877 1.00 0.00 C ATOM 1242 C LEU A 80 24.598 7.136 -22.949 1.00 0.00 C ATOM 1243 O LEU A 80 24.042 7.378 -24.020 1.00 0.00 O ATOM 1244 CB LEU A 80 22.937 7.180 -21.079 1.00 0.00 C ATOM 1245 CG LEU A 80 22.067 6.457 -20.050 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.987 7.385 -19.518 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.447 5.208 -20.660 1.00 0.00 C ATOM 0 H LEU A 80 24.848 6.027 -20.025 1.00 0.00 H new ATOM 0 HA LEU A 80 23.341 5.507 -22.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.516 7.945 -20.562 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.282 7.696 -21.781 1.00 0.00 H new ATOM 0 HG LEU A 80 22.700 6.154 -19.216 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.378 6.853 -18.787 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.451 8.249 -19.043 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.356 7.719 -20.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.831 4.706 -19.914 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.828 5.488 -21.512 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.237 4.534 -20.991 1.00 0.00 H new ATOM 1259 N LYS A 81 25.818 7.571 -22.654 1.00 0.00 N ATOM 1260 CA LYS A 81 26.592 8.375 -23.592 1.00 0.00 C ATOM 1261 C LYS A 81 27.436 7.488 -24.502 1.00 0.00 C ATOM 1262 O LYS A 81 27.288 7.516 -25.723 1.00 0.00 O ATOM 1263 CB LYS A 81 27.494 9.353 -22.835 1.00 0.00 C ATOM 1264 CG LYS A 81 26.750 10.546 -22.261 1.00 0.00 C ATOM 1265 CD LYS A 81 26.325 10.300 -20.824 1.00 0.00 C ATOM 1266 CE LYS A 81 27.376 10.789 -19.839 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.750 10.390 -20.251 1.00 0.00 N ATOM 0 H LYS A 81 26.293 7.380 -21.772 1.00 0.00 H new ATOM 0 HA LYS A 81 25.894 8.939 -24.210 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.992 8.822 -22.024 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.273 9.711 -23.508 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.387 11.429 -22.307 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.871 10.755 -22.871 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.380 10.808 -20.631 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.151 9.235 -20.673 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.322 11.875 -19.759 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.162 10.385 -18.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.421 10.622 -19.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.774 9.367 -20.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.016 10.903 -21.116 1.00 0.00 H new ATOM 1281 N MET A 82 28.321 6.702 -23.899 1.00 0.00 N ATOM 1282 CA MET A 82 29.188 5.806 -24.655 1.00 0.00 C ATOM 1283 C MET A 82 28.470 5.269 -25.890 1.00 0.00 C ATOM 1284 O MET A 82 29.083 5.075 -26.939 1.00 0.00 O ATOM 1285 CB MET A 82 29.650 4.643 -23.774 1.00 0.00 C ATOM 1286 CG MET A 82 28.648 3.502 -23.700 1.00 0.00 C ATOM 1287 SD MET A 82 29.357 2.001 -22.996 1.00 0.00 S ATOM 1288 CE MET A 82 29.760 2.559 -21.343 1.00 0.00 C ATOM 0 H MET A 82 28.457 6.667 -22.889 1.00 0.00 H new ATOM 0 HA MET A 82 30.060 6.374 -24.980 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.596 4.261 -24.158 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.841 5.014 -22.767 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.793 3.812 -23.099 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.273 3.287 -24.701 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.780 2.262 -21.097 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.677 3.645 -21.295 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.069 2.110 -20.629 1.00 0.00 H new ATOM 1298 N GLU A 83 27.169 5.033 -25.756 1.00 0.00 N ATOM 1299 CA GLU A 83 26.369 4.517 -26.861 1.00 0.00 C ATOM 1300 C GLU A 83 26.209 5.571 -27.954 1.00 0.00 C ATOM 1301 O GLU A 83 26.446 5.301 -29.132 1.00 0.00 O ATOM 1302 CB GLU A 83 24.994 4.072 -26.361 1.00 0.00 C ATOM 1303 CG GLU A 83 25.041 2.852 -25.457 1.00 0.00 C ATOM 1304 CD GLU A 83 25.016 1.549 -26.233 1.00 0.00 C ATOM 1305 OE1 GLU A 83 24.456 1.533 -27.349 1.00 0.00 O ATOM 1306 OE2 GLU A 83 25.558 0.546 -25.724 1.00 0.00 O ATOM 0 H GLU A 83 26.647 5.191 -24.894 1.00 0.00 H new ATOM 0 HA GLU A 83 26.889 3.657 -27.282 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.529 4.896 -25.821 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.358 3.854 -27.219 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.944 2.890 -24.848 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.193 2.879 -24.772 1.00 0.00 H new ATOM 1313 N HIS A 84 25.803 6.772 -27.554 1.00 0.00 N ATOM 1314 CA HIS A 84 25.611 7.867 -28.498 1.00 0.00 C ATOM 1315 C HIS A 84 26.862 8.082 -29.344 1.00 0.00 C ATOM 1316 O HIS A 84 27.926 7.536 -29.047 1.00 0.00 O ATOM 1317 CB HIS A 84 25.257 9.155 -27.753 1.00 0.00 C ATOM 1318 CG HIS A 84 24.989 10.317 -28.660 1.00 0.00 C ATOM 1319 ND1 HIS A 84 25.838 11.142 -29.316 1.00 0.00 N flip ATOM 1320 CD2 HIS A 84 23.718 10.746 -28.977 1.00 0.00 C flip ATOM 1321 CE1 HIS A 84 25.072 12.044 -30.012 1.00 0.00 C flip ATOM 1322 NE2 HIS A 84 23.796 11.784 -29.791 1.00 0.00 N flip ATOM 0 H HIS A 84 25.601 7.011 -26.583 1.00 0.00 H new ATOM 0 HA HIS A 84 24.787 7.601 -29.161 1.00 0.00 H new ATOM 0 HB2 HIS A 84 24.377 8.977 -27.134 1.00 0.00 H new ATOM 0 HB3 HIS A 84 26.074 9.412 -27.079 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.801 10.303 -28.616 1.00 0.00 H new ATOM 0 HE1 HIS A 84 25.451 12.838 -30.639 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.006 12.297 -30.182 1.00 0.00 H new ATOM 1330 N HIS A 85 26.729 8.880 -30.398 1.00 0.00 N ATOM 1331 CA HIS A 85 27.850 9.167 -31.287 1.00 0.00 C ATOM 1332 C HIS A 85 28.790 10.193 -30.661 1.00 0.00 C ATOM 1333 O HIS A 85 29.201 11.151 -31.314 1.00 0.00 O ATOM 1334 CB HIS A 85 27.341 9.680 -32.634 1.00 0.00 C ATOM 1335 CG HIS A 85 26.147 8.934 -33.147 1.00 0.00 C ATOM 1336 ND1 HIS A 85 26.201 8.078 -34.226 1.00 0.00 N ATOM 1337 CD2 HIS A 85 24.863 8.919 -32.720 1.00 0.00 C ATOM 1338 CE1 HIS A 85 25.001 7.570 -34.443 1.00 0.00 C ATOM 1339 NE2 HIS A 85 24.171 8.064 -33.542 1.00 0.00 N ATOM 0 H HIS A 85 25.856 9.340 -30.658 1.00 0.00 H new ATOM 0 HA HIS A 85 28.403 8.241 -31.445 1.00 0.00 H new ATOM 0 HB2 HIS A 85 27.086 10.736 -32.539 1.00 0.00 H new ATOM 0 HB3 HIS A 85 28.145 9.611 -33.367 1.00 0.00 H new ATOM 0 HD1 HIS A 85 27.037 7.869 -34.772 1.00 0.00 H new ATOM 0 HD2 HIS A 85 24.458 9.476 -31.888 1.00 0.00 H new ATOM 0 HE1 HIS A 85 24.743 6.870 -35.224 1.00 0.00 H new ATOM 1347 N MET A 86 29.125 9.984 -29.392 1.00 0.00 N ATOM 1348 CA MET A 86 30.017 10.891 -28.679 1.00 0.00 C ATOM 1349 C MET A 86 31.442 10.346 -28.656 1.00 0.00 C ATOM 1350 O MET A 86 31.777 9.497 -27.830 1.00 0.00 O ATOM 1351 CB MET A 86 29.520 11.111 -27.249 1.00 0.00 C ATOM 1352 CG MET A 86 28.200 11.860 -27.173 1.00 0.00 C ATOM 1353 SD MET A 86 28.016 12.792 -25.640 1.00 0.00 S ATOM 1354 CE MET A 86 26.436 13.588 -25.915 1.00 0.00 C ATOM 0 H MET A 86 28.793 9.195 -28.837 1.00 0.00 H new ATOM 0 HA MET A 86 30.020 11.845 -29.206 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.408 10.144 -26.759 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.275 11.665 -26.692 1.00 0.00 H new ATOM 0 HG2 MET A 86 28.125 12.542 -28.020 1.00 0.00 H new ATOM 0 HG3 MET A 86 27.378 11.150 -27.262 1.00 0.00 H new ATOM 0 HE1 MET A 86 26.265 14.335 -25.140 1.00 0.00 H new ATOM 0 HE2 MET A 86 26.438 14.072 -26.891 1.00 0.00 H new ATOM 0 HE3 MET A 86 25.642 12.842 -25.882 1.00 0.00 H new ATOM 1364 N GLU A 87 32.274 10.838 -29.567 1.00 0.00 N ATOM 1365 CA GLU A 87 33.662 10.398 -29.651 1.00 0.00 C ATOM 1366 C GLU A 87 34.586 11.371 -28.924 1.00 0.00 C ATOM 1367 O GLU A 87 35.680 11.677 -29.398 1.00 0.00 O ATOM 1368 CB GLU A 87 34.091 10.267 -31.114 1.00 0.00 C ATOM 1369 CG GLU A 87 33.839 8.888 -31.701 1.00 0.00 C ATOM 1370 CD GLU A 87 32.440 8.743 -32.269 1.00 0.00 C ATOM 1371 OE1 GLU A 87 31.473 9.100 -31.564 1.00 0.00 O ATOM 1372 OE2 GLU A 87 32.314 8.272 -33.419 1.00 0.00 O ATOM 0 H GLU A 87 32.012 11.541 -30.258 1.00 0.00 H new ATOM 0 HA GLU A 87 33.737 9.423 -29.169 1.00 0.00 H new ATOM 0 HB2 GLU A 87 33.557 11.009 -31.708 1.00 0.00 H new ATOM 0 HB3 GLU A 87 35.153 10.498 -31.195 1.00 0.00 H new ATOM 0 HG2 GLU A 87 34.568 8.693 -32.487 1.00 0.00 H new ATOM 0 HG3 GLU A 87 33.994 8.135 -30.929 1.00 0.00 H new ATOM 1379 N ALA A 88 34.138 11.853 -27.769 1.00 0.00 N ATOM 1380 CA ALA A 88 34.923 12.790 -26.976 1.00 0.00 C ATOM 1381 C ALA A 88 35.781 12.055 -25.951 1.00 0.00 C ATOM 1382 O ALA A 88 35.343 11.075 -25.347 1.00 0.00 O ATOM 1383 CB ALA A 88 34.010 13.790 -26.283 1.00 0.00 C ATOM 0 H ALA A 88 33.235 11.609 -27.362 1.00 0.00 H new ATOM 0 HA ALA A 88 35.589 13.330 -27.649 1.00 0.00 H new ATOM 0 HB1 ALA A 88 34.610 14.484 -25.694 1.00 0.00 H new ATOM 0 HB2 ALA A 88 33.444 14.345 -27.031 1.00 0.00 H new ATOM 0 HB3 ALA A 88 33.321 13.259 -25.626 1.00 0.00 H new ATOM 1389 N HIS A 89 37.006 12.535 -25.758 1.00 0.00 N ATOM 1390 CA HIS A 89 37.925 11.924 -24.805 1.00 0.00 C ATOM 1391 C HIS A 89 37.205 11.565 -23.509 1.00 0.00 C ATOM 1392 O HIS A 89 36.147 12.116 -23.200 1.00 0.00 O ATOM 1393 CB HIS A 89 39.090 12.869 -24.510 1.00 0.00 C ATOM 1394 CG HIS A 89 38.678 14.303 -24.373 1.00 0.00 C ATOM 1395 ND1 HIS A 89 39.065 15.285 -25.261 1.00 0.00 N ATOM 1396 CD2 HIS A 89 37.907 14.918 -23.446 1.00 0.00 C ATOM 1397 CE1 HIS A 89 38.552 16.442 -24.885 1.00 0.00 C ATOM 1398 NE2 HIS A 89 37.844 16.247 -23.786 1.00 0.00 N ATOM 0 H HIS A 89 37.385 13.345 -26.249 1.00 0.00 H new ATOM 0 HA HIS A 89 38.314 11.008 -25.249 1.00 0.00 H new ATOM 0 HB2 HIS A 89 39.581 12.551 -23.590 1.00 0.00 H new ATOM 0 HB3 HIS A 89 39.826 12.786 -25.310 1.00 0.00 H new ATOM 0 HD2 HIS A 89 37.430 14.451 -22.597 1.00 0.00 H new ATOM 0 HE1 HIS A 89 38.688 17.387 -25.390 1.00 0.00 H new ATOM 0 HE2 HIS A 89 37.334 16.967 -23.274 1.00 0.00 H new ATOM 1406 N LYS A 90 37.783 10.638 -22.753 1.00 0.00 N ATOM 1407 CA LYS A 90 37.197 10.205 -21.490 1.00 0.00 C ATOM 1408 C LYS A 90 37.741 11.028 -20.327 1.00 0.00 C ATOM 1409 O LYS A 90 38.853 10.794 -19.856 1.00 0.00 O ATOM 1410 CB LYS A 90 37.482 8.720 -21.255 1.00 0.00 C ATOM 1411 CG LYS A 90 37.308 7.863 -22.496 1.00 0.00 C ATOM 1412 CD LYS A 90 35.847 7.763 -22.905 1.00 0.00 C ATOM 1413 CE LYS A 90 35.158 6.588 -22.229 1.00 0.00 C ATOM 1414 NZ LYS A 90 34.585 6.967 -20.908 1.00 0.00 N ATOM 0 H LYS A 90 38.658 10.172 -22.993 1.00 0.00 H new ATOM 0 HA LYS A 90 36.119 10.358 -21.547 1.00 0.00 H new ATOM 0 HB2 LYS A 90 38.502 8.608 -20.887 1.00 0.00 H new ATOM 0 HB3 LYS A 90 36.819 8.351 -20.473 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.888 8.287 -23.316 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.703 6.865 -22.308 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.331 8.687 -22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.778 7.653 -23.987 1.00 0.00 H new ATOM 0 HE2 LYS A 90 34.365 6.212 -22.875 1.00 0.00 H new ATOM 0 HE3 LYS A 90 35.872 5.776 -22.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 33.756 6.372 -20.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 35.301 6.828 -20.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 34.297 7.966 -20.928 1.00 0.00 H new ATOM 1428 N ASN A 91 36.949 11.992 -19.868 1.00 0.00 N ATOM 1429 CA ASN A 91 37.352 12.849 -18.760 1.00 0.00 C ATOM 1430 C ASN A 91 38.044 12.039 -17.668 1.00 0.00 C ATOM 1431 O ASN A 91 37.763 10.854 -17.489 1.00 0.00 O ATOM 1432 CB ASN A 91 36.135 13.573 -18.179 1.00 0.00 C ATOM 1433 CG ASN A 91 35.612 14.657 -19.102 1.00 0.00 C ATOM 1434 OD1 ASN A 91 35.638 14.512 -20.324 1.00 0.00 O ATOM 1435 ND2 ASN A 91 35.134 15.750 -18.519 1.00 0.00 N ATOM 0 H ASN A 91 36.025 12.199 -20.247 1.00 0.00 H new ATOM 0 HA ASN A 91 38.058 13.586 -19.143 1.00 0.00 H new ATOM 0 HB2 ASN A 91 35.343 12.849 -17.987 1.00 0.00 H new ATOM 0 HB3 ASN A 91 36.403 14.015 -17.219 1.00 0.00 H new ATOM 0 HD21 ASN A 91 34.768 16.513 -19.088 1.00 0.00 H new ATOM 0 HD22 ASN A 91 35.132 15.826 -17.502 1.00 0.00 H new ATOM 1442 N SER A 92 38.949 12.686 -16.942 1.00 0.00 N ATOM 1443 CA SER A 92 39.684 12.025 -15.870 1.00 0.00 C ATOM 1444 C SER A 92 39.055 12.326 -14.513 1.00 0.00 C ATOM 1445 O SER A 92 38.720 13.470 -14.212 1.00 0.00 O ATOM 1446 CB SER A 92 41.148 12.470 -15.876 1.00 0.00 C ATOM 1447 OG SER A 92 41.871 11.862 -14.820 1.00 0.00 O ATOM 0 H SER A 92 39.191 13.668 -17.076 1.00 0.00 H new ATOM 0 HA SER A 92 39.638 10.950 -16.042 1.00 0.00 H new ATOM 0 HB2 SER A 92 41.606 12.211 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 92 41.202 13.554 -15.780 1.00 0.00 H new ATOM 0 HG SER A 92 42.804 12.162 -14.847 1.00 0.00 H new ATOM 1453 N GLY A 93 38.898 11.288 -13.697 1.00 0.00 N ATOM 1454 CA GLY A 93 38.309 11.460 -12.382 1.00 0.00 C ATOM 1455 C GLY A 93 39.087 10.740 -11.299 1.00 0.00 C ATOM 1456 O GLY A 93 40.156 10.179 -11.542 1.00 0.00 O ATOM 0 H GLY A 93 39.168 10.331 -13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 93 38.261 12.523 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 93 37.284 11.090 -12.395 1.00 0.00 H new ATOM 1460 N PRO A 94 38.549 10.752 -10.071 1.00 0.00 N ATOM 1461 CA PRO A 94 39.184 10.100 -8.922 1.00 0.00 C ATOM 1462 C PRO A 94 39.152 8.579 -9.028 1.00 0.00 C ATOM 1463 O PRO A 94 38.379 8.017 -9.804 1.00 0.00 O ATOM 1464 CB PRO A 94 38.340 10.571 -7.735 1.00 0.00 C ATOM 1465 CG PRO A 94 37.008 10.891 -8.321 1.00 0.00 C ATOM 1466 CD PRO A 94 37.278 11.402 -9.709 1.00 0.00 C ATOM 0 HA PRO A 94 40.240 10.357 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 94 38.261 9.796 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 94 38.782 11.445 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 94 36.371 10.007 -8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 94 36.489 11.640 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 94 36.478 11.133 -10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 94 37.363 12.489 -9.728 1.00 0.00 H new ATOM 1474 N SER A 95 39.997 7.918 -8.243 1.00 0.00 N ATOM 1475 CA SER A 95 40.067 6.461 -8.251 1.00 0.00 C ATOM 1476 C SER A 95 38.861 5.855 -7.540 1.00 0.00 C ATOM 1477 O SER A 95 38.185 6.526 -6.761 1.00 0.00 O ATOM 1478 CB SER A 95 41.359 5.988 -7.582 1.00 0.00 C ATOM 1479 OG SER A 95 41.645 4.642 -7.920 1.00 0.00 O ATOM 0 H SER A 95 40.642 8.368 -7.594 1.00 0.00 H new ATOM 0 HA SER A 95 40.060 6.127 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 95 42.187 6.627 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 95 41.268 6.083 -6.500 1.00 0.00 H new ATOM 0 HG SER A 95 42.476 4.364 -7.481 1.00 0.00 H new ATOM 1485 N SER A 96 38.598 4.582 -7.815 1.00 0.00 N ATOM 1486 CA SER A 96 37.472 3.885 -7.205 1.00 0.00 C ATOM 1487 C SER A 96 37.936 2.613 -6.502 1.00 0.00 C ATOM 1488 O SER A 96 38.616 1.776 -7.094 1.00 0.00 O ATOM 1489 CB SER A 96 36.423 3.542 -8.265 1.00 0.00 C ATOM 1490 OG SER A 96 36.991 2.779 -9.316 1.00 0.00 O ATOM 0 H SER A 96 39.149 4.012 -8.456 1.00 0.00 H new ATOM 0 HA SER A 96 37.026 4.547 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 96 35.607 2.984 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 96 35.995 4.460 -8.668 1.00 0.00 H new ATOM 0 HG SER A 96 37.742 2.253 -8.970 1.00 0.00 H new ATOM 1496 N GLY A 97 37.561 2.475 -5.234 1.00 0.00 N ATOM 1497 CA GLY A 97 37.948 1.303 -4.470 1.00 0.00 C ATOM 1498 C GLY A 97 39.445 1.224 -4.246 1.00 0.00 C ATOM 1499 O GLY A 97 40.175 2.166 -4.553 1.00 0.00 O ATOM 0 H GLY A 97 36.997 3.153 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 97 37.440 1.318 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 97 37.614 0.406 -4.992 1.00 0.00 H new TER 1503 GLY A 97