USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 814 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 Single : A 1 ARG N :NH3+ -107:sc= 0.0939 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= -0.036 (180deg=-0.639) USER MOD Single : A 11 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.22) USER MOD Single : A 13 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.26) USER MOD Single : A 14 ASN :FLIP amide:sc= 0.565 F(o=-0.16,f=0.57) USER MOD Single : A 16 MET CE :methyl 148:sc= -0.257 (180deg=-1.11) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 62:sc= 0.217 USER MOD Single : A 20 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.25) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.84! C(o=-3.8!,f=-5.5!) USER MOD Single : A 31 ASN :FLIP amide:sc= -3.72! C(o=-4.6!,f=-3.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0601 K(o=-0.06,f=-0.64) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.054) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.46! C(o=-2.2!,f=-1.5!) USER MOD Single : A 58 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1.2) USER MOD Single : A 66 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.028) USER MOD Single : A 67 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.9!) USER MOD Single : A 70 SER OG : rot 37:sc= 0.521 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.84 K(o=-0.84,f=-4.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.1!) USER MOD Single : A 81 GLN : amide:sc=-0.00243 X(o=-0.0024,f=-0.034) USER MOD Single : A 83 ASN : amide:sc= 0.019 X(o=0.019,f=0) USER MOD Single : A 84 THR OG1 : rot -71:sc= 1.13 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.83 K(o=-0.83,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 76.141 17.680 1.361 1.00 0.00 N ATOM 2 CA ARG A 1 75.533 18.998 1.304 1.00 0.00 C ATOM 3 C ARG A 1 76.446 20.033 1.966 1.00 0.00 C ATOM 4 O ARG A 1 77.338 19.678 2.734 1.00 0.00 O ATOM 5 CB ARG A 1 74.173 19.008 2.005 1.00 0.00 C ATOM 6 CG ARG A 1 73.081 18.452 1.088 1.00 0.00 C ATOM 7 CD ARG A 1 72.484 17.166 1.663 1.00 0.00 C ATOM 8 NE ARG A 1 71.394 17.493 2.609 1.00 0.00 N ATOM 9 CZ ARG A 1 70.952 16.658 3.573 1.00 0.00 C ATOM 10 NH1 ARG A 1 71.505 15.436 3.727 1.00 0.00 N ATOM 11 NH2 ARG A 1 69.971 17.053 4.363 1.00 0.00 N ATOM 0 H1 ARG A 1 76.478 17.412 0.414 1.00 0.00 H new ATOM 0 H2 ARG A 1 76.943 17.696 2.023 1.00 0.00 H new ATOM 0 H3 ARG A 1 75.437 16.987 1.687 1.00 0.00 H new ATOM 0 HA ARG A 1 75.390 19.252 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 1 74.225 18.413 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 1 73.920 20.026 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 1 72.295 19.196 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 1 73.497 18.254 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 1 72.101 16.541 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 1 73.258 16.592 2.172 1.00 0.00 H new ATOM 0 HE ARG A 1 70.949 18.407 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 1 72.263 15.138 3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 1 71.165 14.811 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 1 69.558 17.978 4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 1 69.626 16.434 5.096 1.00 0.00 H new ATOM 24 N LYS A 2 76.192 21.292 1.642 1.00 0.00 N ATOM 25 CA LYS A 2 76.980 22.381 2.195 1.00 0.00 C ATOM 26 C LYS A 2 76.445 22.738 3.583 1.00 0.00 C ATOM 27 O LYS A 2 75.423 22.207 4.013 1.00 0.00 O ATOM 28 CB LYS A 2 77.014 23.564 1.225 1.00 0.00 C ATOM 29 CG LYS A 2 78.408 23.737 0.619 1.00 0.00 C ATOM 30 CD LYS A 2 78.711 25.212 0.353 1.00 0.00 C ATOM 31 CE LYS A 2 80.186 25.414 -0.001 1.00 0.00 C ATOM 32 NZ LYS A 2 80.382 26.712 -0.684 1.00 0.00 N ATOM 0 H LYS A 2 75.452 21.583 1.003 1.00 0.00 H new ATOM 0 HA LYS A 2 78.018 22.074 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 2 76.285 23.408 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 2 76.725 24.476 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 2 79.156 23.325 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 2 78.476 23.174 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 2 78.085 25.574 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 2 78.461 25.803 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 2 80.792 25.378 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 2 80.526 24.603 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 81.388 26.833 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 79.819 26.733 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 80.077 27.484 -0.057 1.00 0.00 H new ATOM 45 N LEU A 3 77.161 23.636 4.245 1.00 0.00 N ATOM 46 CA LEU A 3 76.771 24.070 5.575 1.00 0.00 C ATOM 47 C LEU A 3 76.912 22.900 6.551 1.00 0.00 C ATOM 48 O LEU A 3 76.391 21.814 6.302 1.00 0.00 O ATOM 49 CB LEU A 3 75.370 24.684 5.549 1.00 0.00 C ATOM 50 CG LEU A 3 75.308 26.209 5.441 1.00 0.00 C ATOM 51 CD1 LEU A 3 74.642 26.640 4.133 1.00 0.00 C ATOM 52 CD2 LEU A 3 74.617 26.818 6.663 1.00 0.00 C ATOM 0 H LEU A 3 78.009 24.074 3.885 1.00 0.00 H new ATOM 0 HA LEU A 3 77.434 24.861 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 3 74.824 24.258 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 3 74.846 24.382 6.456 1.00 0.00 H new ATOM 0 HG LEU A 3 76.329 26.591 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 3 74.611 27.728 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 3 75.213 26.253 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 3 73.626 26.246 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 3 74.586 27.903 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 3 73.600 26.432 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 3 75.171 26.554 7.564 1.00 0.00 H new ATOM 64 N GLU A 4 77.618 23.162 7.641 1.00 0.00 N ATOM 65 CA GLU A 4 77.833 22.143 8.655 1.00 0.00 C ATOM 66 C GLU A 4 77.469 22.687 10.038 1.00 0.00 C ATOM 67 O GLU A 4 78.342 22.881 10.883 1.00 0.00 O ATOM 68 CB GLU A 4 79.277 21.639 8.627 1.00 0.00 C ATOM 69 CG GLU A 4 79.403 20.383 7.763 1.00 0.00 C ATOM 70 CD GLU A 4 78.855 19.156 8.495 1.00 0.00 C ATOM 71 OE1 GLU A 4 79.635 18.299 8.937 1.00 0.00 O ATOM 72 OE2 GLU A 4 77.570 19.112 8.599 1.00 0.00 O ATOM 0 H GLU A 4 78.048 24.064 7.844 1.00 0.00 H new ATOM 0 HA GLU A 4 77.183 21.296 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 4 79.931 22.419 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 4 79.610 21.421 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.861 20.525 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.449 20.219 7.504 1.00 0.00 H new ATOM 80 N LEU A 5 76.177 22.917 10.227 1.00 0.00 N ATOM 81 CA LEU A 5 75.687 23.433 11.493 1.00 0.00 C ATOM 82 C LEU A 5 74.193 23.129 11.619 1.00 0.00 C ATOM 83 O LEU A 5 73.779 22.392 12.512 1.00 0.00 O ATOM 84 CB LEU A 5 76.025 24.919 11.633 1.00 0.00 C ATOM 85 CG LEU A 5 76.868 25.303 12.851 1.00 0.00 C ATOM 86 CD1 LEU A 5 78.012 26.238 12.453 1.00 0.00 C ATOM 87 CD2 LEU A 5 75.995 25.904 13.954 1.00 0.00 C ATOM 0 H LEU A 5 75.456 22.755 9.524 1.00 0.00 H new ATOM 0 HA LEU A 5 76.186 22.936 12.325 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.554 25.237 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.092 25.482 11.670 1.00 0.00 H new ATOM 0 HG LEU A 5 77.318 24.396 13.254 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.596 26.496 13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 5 78.654 25.739 11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 5 77.602 27.146 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.619 26.168 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.497 26.798 13.578 1.00 0.00 H new ATOM 0 HD23 LEU A 5 75.246 25.175 14.263 1.00 0.00 H new ATOM 99 N THR A 6 73.424 23.711 10.710 1.00 0.00 N ATOM 100 CA THR A 6 71.985 23.512 10.708 1.00 0.00 C ATOM 101 C THR A 6 71.516 23.029 9.334 1.00 0.00 C ATOM 102 O THR A 6 70.587 23.594 8.758 1.00 0.00 O ATOM 103 CB THR A 6 71.325 24.819 11.151 1.00 0.00 C ATOM 104 OG1 THR A 6 69.935 24.597 10.934 1.00 0.00 O ATOM 105 CG2 THR A 6 71.665 25.989 10.225 1.00 0.00 C ATOM 0 H THR A 6 73.771 24.321 9.970 1.00 0.00 H new ATOM 0 HA THR A 6 71.693 22.731 11.410 1.00 0.00 H new ATOM 0 HB THR A 6 71.638 25.058 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 6 69.750 24.598 9.972 1.00 0.00 H new ATOM 0 HG21 THR A 6 71.172 26.892 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 72.744 26.144 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 6 71.322 25.765 9.215 1.00 0.00 H new ATOM 113 N LYS A 7 72.179 21.990 8.849 1.00 0.00 N ATOM 114 CA LYS A 7 71.841 21.425 7.554 1.00 0.00 C ATOM 115 C LYS A 7 70.486 20.721 7.647 1.00 0.00 C ATOM 116 O LYS A 7 70.392 19.515 7.421 1.00 0.00 O ATOM 117 CB LYS A 7 72.970 20.522 7.052 1.00 0.00 C ATOM 118 CG LYS A 7 73.226 19.371 8.027 1.00 0.00 C ATOM 119 CD LYS A 7 74.413 18.520 7.571 1.00 0.00 C ATOM 120 CE LYS A 7 73.940 17.288 6.797 1.00 0.00 C ATOM 121 NZ LYS A 7 73.539 16.212 7.731 1.00 0.00 N ATOM 0 H LYS A 7 72.949 21.524 9.330 1.00 0.00 H new ATOM 0 HA LYS A 7 71.740 22.214 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.712 20.122 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.881 21.108 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.421 19.770 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 7 72.335 18.748 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.073 19.118 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.995 18.208 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 7 73.099 17.554 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.738 16.933 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 73.221 15.383 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.351 15.947 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 72.763 16.549 8.336 1.00 0.00 H new ATOM 134 N ALA A 8 69.470 21.503 7.979 1.00 0.00 N ATOM 135 CA ALA A 8 68.124 20.970 8.105 1.00 0.00 C ATOM 136 C ALA A 8 67.120 22.006 7.596 1.00 0.00 C ATOM 137 O ALA A 8 66.343 22.557 8.375 1.00 0.00 O ATOM 138 CB ALA A 8 67.866 20.573 9.560 1.00 0.00 C ATOM 0 H ALA A 8 69.552 22.503 8.165 1.00 0.00 H new ATOM 0 HA ALA A 8 68.008 20.073 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.856 20.173 9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.587 19.814 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.971 21.449 10.200 1.00 0.00 H new ATOM 144 N GLU A 9 67.168 22.239 6.293 1.00 0.00 N ATOM 145 CA GLU A 9 66.272 23.200 5.671 1.00 0.00 C ATOM 146 C GLU A 9 64.997 22.503 5.192 1.00 0.00 C ATOM 147 O GLU A 9 64.258 23.047 4.373 1.00 0.00 O ATOM 148 CB GLU A 9 66.965 23.928 4.518 1.00 0.00 C ATOM 149 CG GLU A 9 67.975 24.951 5.043 1.00 0.00 C ATOM 150 CD GLU A 9 68.404 25.916 3.936 1.00 0.00 C ATOM 151 OE1 GLU A 9 69.030 25.492 2.953 1.00 0.00 O ATOM 152 OE2 GLU A 9 68.064 27.146 4.123 1.00 0.00 O ATOM 0 H GLU A 9 67.813 21.779 5.650 1.00 0.00 H new ATOM 0 HA GLU A 9 65.997 23.947 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 9 67.473 23.205 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 9 66.220 24.431 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.535 25.511 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 9 68.849 24.434 5.439 1.00 0.00 H new ATOM 160 N LYS A 10 64.778 21.309 5.724 1.00 0.00 N ATOM 161 CA LYS A 10 63.605 20.532 5.361 1.00 0.00 C ATOM 162 C LYS A 10 62.690 20.398 6.580 1.00 0.00 C ATOM 163 O LYS A 10 61.468 20.430 6.450 1.00 0.00 O ATOM 164 CB LYS A 10 64.018 19.191 4.751 1.00 0.00 C ATOM 165 CG LYS A 10 65.152 18.550 5.554 1.00 0.00 C ATOM 166 CD LYS A 10 65.092 17.023 5.465 1.00 0.00 C ATOM 167 CE LYS A 10 65.674 16.529 4.139 1.00 0.00 C ATOM 168 NZ LYS A 10 64.639 16.543 3.081 1.00 0.00 N ATOM 0 H LYS A 10 65.393 20.861 6.403 1.00 0.00 H new ATOM 0 HA LYS A 10 63.033 21.045 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 10 63.160 18.519 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 10 64.337 19.339 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 10 66.113 18.902 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 10 65.084 18.860 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 10 65.646 16.585 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 10 64.059 16.690 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 10 66.512 17.161 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 10 66.065 15.519 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 64.866 15.825 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 63.711 16.332 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 64.612 17.482 2.634 1.00 0.00 H new ATOM 181 N HIS A 11 63.318 20.250 7.738 1.00 0.00 N ATOM 182 CA HIS A 11 62.577 20.111 8.979 1.00 0.00 C ATOM 183 C HIS A 11 61.832 18.774 8.985 1.00 0.00 C ATOM 184 O HIS A 11 61.147 18.437 8.021 1.00 0.00 O ATOM 185 CB HIS A 11 61.648 21.308 9.194 1.00 0.00 C ATOM 186 CG HIS A 11 61.978 22.130 10.417 1.00 0.00 C ATOM 187 ND1 HIS A 11 61.114 23.075 10.941 1.00 0.00 N ATOM 188 CD2 HIS A 11 63.086 22.137 11.214 1.00 0.00 C ATOM 189 CE1 HIS A 11 61.687 23.622 12.004 1.00 0.00 C ATOM 190 NE2 HIS A 11 62.908 23.039 12.171 1.00 0.00 N ATOM 0 H HIS A 11 64.332 20.223 7.842 1.00 0.00 H new ATOM 0 HA HIS A 11 63.269 20.106 9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 11 61.691 21.951 8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 11 60.622 20.949 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 11 63.959 21.514 11.087 1.00 0.00 H new ATOM 0 HE1 HIS A 11 61.261 24.394 12.628 1.00 0.00 H new ATOM 0 HE2 HIS A 11 63.575 23.260 12.910 1.00 0.00 H new ATOM 198 N VAL A 12 61.992 18.049 10.082 1.00 0.00 N ATOM 199 CA VAL A 12 61.344 16.757 10.227 1.00 0.00 C ATOM 200 C VAL A 12 60.579 16.720 11.551 1.00 0.00 C ATOM 201 O VAL A 12 60.012 17.727 11.973 1.00 0.00 O ATOM 202 CB VAL A 12 62.378 15.636 10.102 1.00 0.00 C ATOM 203 CG1 VAL A 12 63.202 15.789 8.822 1.00 0.00 C ATOM 204 CG2 VAL A 12 63.284 15.587 11.335 1.00 0.00 C ATOM 0 H VAL A 12 62.562 18.332 10.879 1.00 0.00 H new ATOM 0 HA VAL A 12 60.618 16.602 9.429 1.00 0.00 H new ATOM 0 HB VAL A 12 61.841 14.690 10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 12 63.929 14.979 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 62.540 15.751 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 12 63.725 16.745 8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 12 64.010 14.782 11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 12 63.809 16.537 11.439 1.00 0.00 H new ATOM 0 HG23 VAL A 12 62.679 15.407 12.224 1.00 0.00 H new ATOM 214 N HIS A 13 60.587 15.549 12.170 1.00 0.00 N ATOM 215 CA HIS A 13 59.900 15.367 13.438 1.00 0.00 C ATOM 216 C HIS A 13 58.396 15.235 13.193 1.00 0.00 C ATOM 217 O HIS A 13 57.889 15.683 12.165 1.00 0.00 O ATOM 218 CB HIS A 13 60.245 16.498 14.409 1.00 0.00 C ATOM 219 CG HIS A 13 60.641 16.024 15.787 1.00 0.00 C ATOM 220 ND1 HIS A 13 61.114 16.880 16.767 1.00 0.00 N ATOM 221 CD2 HIS A 13 60.628 14.777 16.339 1.00 0.00 C ATOM 222 CE1 HIS A 13 61.371 16.168 17.855 1.00 0.00 C ATOM 223 NE2 HIS A 13 61.070 14.865 17.587 1.00 0.00 N ATOM 0 H HIS A 13 61.058 14.716 11.817 1.00 0.00 H new ATOM 0 HA HIS A 13 60.238 14.444 13.910 1.00 0.00 H new ATOM 0 HB2 HIS A 13 61.061 17.087 13.990 1.00 0.00 H new ATOM 0 HB3 HIS A 13 59.385 17.162 14.497 1.00 0.00 H new ATOM 0 HD2 HIS A 13 60.311 13.871 15.844 1.00 0.00 H new ATOM 0 HE1 HIS A 13 61.752 16.552 18.790 1.00 0.00 H new ATOM 0 HE2 HIS A 13 61.168 14.086 18.239 1.00 0.00 H new ATOM 231 N ASN A 14 57.724 14.618 14.153 1.00 0.00 N ATOM 232 CA ASN A 14 56.288 14.421 14.055 1.00 0.00 C ATOM 233 C ASN A 14 56.005 13.172 13.217 1.00 0.00 C ATOM 234 O ASN A 14 54.856 12.753 13.090 1.00 0.00 O ATOM 235 CB ASN A 14 55.614 15.612 13.370 1.00 0.00 C ATOM 236 CG ASN A 14 54.147 15.726 13.787 1.00 0.00 C ATOM 237 OD1 ASN A 14 53.882 16.779 14.554 1.00 0.00 O flip ATOM 238 ND2 ASN A 14 53.310 14.911 13.435 1.00 0.00 N flip ATOM 0 H ASN A 14 58.148 14.247 15.004 1.00 0.00 H new ATOM 0 HA ASN A 14 55.893 14.315 15.065 1.00 0.00 H new ATOM 0 HB2 ASN A 14 56.141 16.530 13.628 1.00 0.00 H new ATOM 0 HB3 ASN A 14 55.680 15.499 12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 53.581 14.124 12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.340 15.016 13.731 1.00 0.00 H new ATOM 245 N PHE A 15 57.073 12.613 12.668 1.00 0.00 N ATOM 246 CA PHE A 15 56.954 11.420 11.846 1.00 0.00 C ATOM 247 C PHE A 15 58.268 10.636 11.825 1.00 0.00 C ATOM 248 O PHE A 15 58.790 10.321 10.756 1.00 0.00 O ATOM 249 CB PHE A 15 56.629 11.886 10.426 1.00 0.00 C ATOM 250 CG PHE A 15 57.201 13.262 10.076 1.00 0.00 C ATOM 251 CD1 PHE A 15 58.506 13.384 9.713 1.00 0.00 C ATOM 252 CD2 PHE A 15 56.404 14.363 10.129 1.00 0.00 C ATOM 253 CE1 PHE A 15 59.036 14.661 9.389 1.00 0.00 C ATOM 254 CE2 PHE A 15 56.935 15.639 9.804 1.00 0.00 C ATOM 255 CZ PHE A 15 58.240 15.761 9.441 1.00 0.00 C ATOM 0 H PHE A 15 58.025 12.964 12.776 1.00 0.00 H new ATOM 0 HA PHE A 15 56.179 10.767 12.247 1.00 0.00 H new ATOM 0 HB2 PHE A 15 57.014 11.153 9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 15 55.546 11.912 10.302 1.00 0.00 H new ATOM 0 HD1 PHE A 15 59.139 12.510 9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 55.368 14.267 10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 15 60.072 14.758 9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 15 56.302 16.513 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 15 58.644 16.732 9.194 1.00 0.00 H new ATOM 265 N MET A 16 58.764 10.342 13.018 1.00 0.00 N ATOM 266 CA MET A 16 60.007 9.601 13.149 1.00 0.00 C ATOM 267 C MET A 16 59.780 8.277 13.883 1.00 0.00 C ATOM 268 O MET A 16 60.418 7.273 13.571 1.00 0.00 O ATOM 269 CB MET A 16 61.025 10.443 13.919 1.00 0.00 C ATOM 270 CG MET A 16 60.943 11.915 13.507 1.00 0.00 C ATOM 271 SD MET A 16 62.585 12.590 13.326 1.00 0.00 S ATOM 272 CE MET A 16 63.166 11.626 11.941 1.00 0.00 C ATOM 0 H MET A 16 58.328 10.603 13.902 1.00 0.00 H new ATOM 0 HA MET A 16 60.385 9.382 12.150 1.00 0.00 H new ATOM 0 HB2 MET A 16 60.843 10.351 14.990 1.00 0.00 H new ATOM 0 HB3 MET A 16 62.030 10.065 13.733 1.00 0.00 H new ATOM 0 HG2 MET A 16 60.397 12.009 12.568 1.00 0.00 H new ATOM 0 HG3 MET A 16 60.389 12.481 14.256 1.00 0.00 H new ATOM 0 HE1 MET A 16 63.856 12.224 11.345 1.00 0.00 H new ATOM 0 HE2 MET A 16 63.679 10.736 12.307 1.00 0.00 H new ATOM 0 HE3 MET A 16 62.318 11.328 11.324 1.00 0.00 H new ATOM 282 N MET A 17 58.868 8.319 14.844 1.00 0.00 N ATOM 283 CA MET A 17 58.550 7.135 15.624 1.00 0.00 C ATOM 284 C MET A 17 58.446 5.899 14.729 1.00 0.00 C ATOM 285 O MET A 17 58.873 4.811 15.114 1.00 0.00 O ATOM 286 CB MET A 17 57.223 7.348 16.356 1.00 0.00 C ATOM 287 CG MET A 17 57.369 8.396 17.462 1.00 0.00 C ATOM 288 SD MET A 17 56.702 7.765 18.992 1.00 0.00 S ATOM 289 CE MET A 17 55.183 8.699 19.077 1.00 0.00 C ATOM 0 H MET A 17 58.340 9.153 15.100 1.00 0.00 H new ATOM 0 HA MET A 17 59.352 6.972 16.344 1.00 0.00 H new ATOM 0 HB2 MET A 17 56.459 7.667 15.647 1.00 0.00 H new ATOM 0 HB3 MET A 17 56.885 6.405 16.786 1.00 0.00 H new ATOM 0 HG2 MET A 17 58.420 8.655 17.593 1.00 0.00 H new ATOM 0 HG3 MET A 17 56.849 9.311 17.179 1.00 0.00 H new ATOM 0 HE1 MET A 17 54.638 8.425 19.980 1.00 0.00 H new ATOM 0 HE2 MET A 17 55.412 9.764 19.100 1.00 0.00 H new ATOM 0 HE3 MET A 17 54.571 8.478 18.203 1.00 0.00 H new ATOM 299 N ASP A 18 57.877 6.107 13.550 1.00 0.00 N ATOM 300 CA ASP A 18 57.712 5.024 12.597 1.00 0.00 C ATOM 301 C ASP A 18 57.756 5.589 11.176 1.00 0.00 C ATOM 302 O ASP A 18 56.758 6.110 10.680 1.00 0.00 O ATOM 303 CB ASP A 18 56.365 4.324 12.786 1.00 0.00 C ATOM 304 CG ASP A 18 56.207 3.571 14.108 1.00 0.00 C ATOM 305 OD1 ASP A 18 55.904 4.170 15.151 1.00 0.00 O ATOM 306 OD2 ASP A 18 56.412 2.300 14.040 1.00 0.00 O ATOM 0 H ASP A 18 57.525 7.010 13.234 1.00 0.00 H new ATOM 0 HA ASP A 18 58.517 4.307 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 18 55.572 5.069 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 18 56.220 3.621 11.965 1.00 0.00 H new ATOM 312 N THR A 19 58.923 5.468 10.560 1.00 0.00 N ATOM 313 CA THR A 19 59.110 5.960 9.206 1.00 0.00 C ATOM 314 C THR A 19 58.547 4.961 8.193 1.00 0.00 C ATOM 315 O THR A 19 59.282 4.443 7.354 1.00 0.00 O ATOM 316 CB THR A 19 60.599 6.251 9.010 1.00 0.00 C ATOM 317 OG1 THR A 19 61.232 4.996 9.248 1.00 0.00 O ATOM 318 CG2 THR A 19 61.165 7.166 10.098 1.00 0.00 C ATOM 0 H THR A 19 59.749 5.036 10.974 1.00 0.00 H new ATOM 0 HA THR A 19 58.559 6.886 9.042 1.00 0.00 H new ATOM 0 HB THR A 19 60.754 6.710 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 19 60.925 4.344 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 19 62.225 7.341 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 19 60.633 8.117 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 61.041 6.693 11.072 1.00 0.00 H new ATOM 326 N GLN A 20 57.249 4.722 8.305 1.00 0.00 N ATOM 327 CA GLN A 20 56.579 3.794 7.409 1.00 0.00 C ATOM 328 C GLN A 20 55.107 3.648 7.800 1.00 0.00 C ATOM 329 O GLN A 20 54.219 3.867 6.978 1.00 0.00 O ATOM 330 CB GLN A 20 57.282 2.435 7.401 1.00 0.00 C ATOM 331 CG GLN A 20 58.005 2.199 6.073 1.00 0.00 C ATOM 332 CD GLN A 20 57.023 1.757 4.986 1.00 0.00 C ATOM 333 OE1 GLN A 20 56.684 0.592 4.856 1.00 0.00 O ATOM 334 NE2 GLN A 20 56.587 2.748 4.214 1.00 0.00 N ATOM 0 H GLN A 20 56.643 5.155 9.002 1.00 0.00 H new ATOM 0 HA GLN A 20 56.628 4.197 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 20 57.997 2.387 8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 20 56.552 1.643 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 20 58.510 3.114 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 20 58.775 1.439 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 20 56.911 3.701 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 20 55.929 2.555 3.459 1.00 0.00 H new ATOM 343 N LEU A 21 54.895 3.278 9.054 1.00 0.00 N ATOM 344 CA LEU A 21 53.546 3.100 9.564 1.00 0.00 C ATOM 345 C LEU A 21 52.660 2.525 8.457 1.00 0.00 C ATOM 346 O LEU A 21 52.018 3.272 7.720 1.00 0.00 O ATOM 347 CB LEU A 21 53.020 4.409 10.156 1.00 0.00 C ATOM 348 CG LEU A 21 52.922 5.591 9.189 1.00 0.00 C ATOM 349 CD1 LEU A 21 51.529 5.673 8.562 1.00 0.00 C ATOM 350 CD2 LEU A 21 53.318 6.898 9.880 1.00 0.00 C ATOM 0 H LEU A 21 55.635 3.096 9.732 1.00 0.00 H new ATOM 0 HA LEU A 21 53.539 2.382 10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 52.030 4.224 10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 21 53.667 4.696 10.985 1.00 0.00 H new ATOM 0 HG LEU A 21 53.631 5.428 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 21 51.487 6.522 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 21 51.323 4.754 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 21 50.784 5.801 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 21 53.240 7.722 9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 52.652 7.080 10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 54.345 6.824 10.238 1.00 0.00 H new ATOM 362 N THR A 22 52.652 1.202 8.376 1.00 0.00 N ATOM 363 CA THR A 22 51.855 0.519 7.372 1.00 0.00 C ATOM 364 C THR A 22 50.530 0.046 7.974 1.00 0.00 C ATOM 365 O THR A 22 49.506 0.029 7.293 1.00 0.00 O ATOM 366 CB THR A 22 52.698 -0.618 6.793 1.00 0.00 C ATOM 367 OG1 THR A 22 52.901 -1.498 7.895 1.00 0.00 O ATOM 368 CG2 THR A 22 54.109 -0.166 6.412 1.00 0.00 C ATOM 0 H THR A 22 53.185 0.586 8.989 1.00 0.00 H new ATOM 0 HA THR A 22 51.585 1.191 6.557 1.00 0.00 H new ATOM 0 HB THR A 22 52.199 -1.028 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 22 53.438 -2.265 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 54.665 -1.011 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 22 54.048 0.622 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 22 54.621 0.214 7.296 1.00 0.00 H new ATOM 376 N LYS A 23 50.593 -0.324 9.245 1.00 0.00 N ATOM 377 CA LYS A 23 49.411 -0.795 9.947 1.00 0.00 C ATOM 378 C LYS A 23 48.569 -1.654 9.000 1.00 0.00 C ATOM 379 O LYS A 23 49.110 -2.442 8.225 1.00 0.00 O ATOM 380 CB LYS A 23 48.645 0.381 10.555 1.00 0.00 C ATOM 381 CG LYS A 23 47.858 -0.058 11.792 1.00 0.00 C ATOM 382 CD LYS A 23 48.787 -0.249 12.992 1.00 0.00 C ATOM 383 CE LYS A 23 47.994 -0.272 14.301 1.00 0.00 C ATOM 384 NZ LYS A 23 48.479 0.783 15.219 1.00 0.00 N ATOM 0 H LYS A 23 51.444 -0.307 9.807 1.00 0.00 H new ATOM 0 HA LYS A 23 49.694 -1.429 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 49.343 1.173 10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 23 47.962 0.797 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 23 47.100 0.689 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.333 -0.990 11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.342 -1.181 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.520 0.557 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 23 46.934 -0.123 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.092 -1.248 14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 47.931 0.754 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 49.485 0.624 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 48.363 1.714 14.770 1.00 0.00 H new ATOM 397 N ARG A 24 47.260 -1.472 9.094 1.00 0.00 N ATOM 398 CA ARG A 24 46.339 -2.220 8.255 1.00 0.00 C ATOM 399 C ARG A 24 45.075 -1.400 7.993 1.00 0.00 C ATOM 400 O ARG A 24 45.143 -0.184 7.824 1.00 0.00 O ATOM 401 CB ARG A 24 45.951 -3.547 8.911 1.00 0.00 C ATOM 402 CG ARG A 24 45.050 -3.316 10.126 1.00 0.00 C ATOM 403 CD ARG A 24 45.638 -3.970 11.377 1.00 0.00 C ATOM 404 NE ARG A 24 45.473 -3.073 12.543 1.00 0.00 N ATOM 405 CZ ARG A 24 45.466 -3.493 13.826 1.00 0.00 C ATOM 406 NH1 ARG A 24 45.614 -4.802 14.119 1.00 0.00 N ATOM 407 NH2 ARG A 24 45.311 -2.603 14.789 1.00 0.00 N ATOM 0 H ARG A 24 46.815 -0.818 9.738 1.00 0.00 H new ATOM 0 HA ARG A 24 46.844 -2.428 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.436 -4.178 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 24 46.850 -4.082 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 24 44.928 -2.246 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 44.058 -3.723 9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 24 45.142 -4.922 11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 24 46.695 -4.187 11.221 1.00 0.00 H new ATOM 0 HE ARG A 24 45.357 -2.075 12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 24 45.732 -5.482 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 24 45.608 -5.111 15.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 45.199 -1.616 14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 24 45.303 -2.903 15.764 1.00 0.00 H new ATOM 420 N VAL A 25 43.949 -2.099 7.968 1.00 0.00 N ATOM 421 CA VAL A 25 42.671 -1.450 7.729 1.00 0.00 C ATOM 422 C VAL A 25 42.821 -0.440 6.590 1.00 0.00 C ATOM 423 O VAL A 25 42.885 0.765 6.830 1.00 0.00 O ATOM 424 CB VAL A 25 42.154 -0.820 9.024 1.00 0.00 C ATOM 425 CG1 VAL A 25 43.208 0.099 9.645 1.00 0.00 C ATOM 426 CG2 VAL A 25 40.844 -0.067 8.783 1.00 0.00 C ATOM 0 H VAL A 25 43.895 -3.108 8.109 1.00 0.00 H new ATOM 0 HA VAL A 25 41.924 -2.180 7.418 1.00 0.00 H new ATOM 0 HB VAL A 25 41.952 -1.625 9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.815 0.534 10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 25 44.105 -0.477 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 25 43.455 0.896 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 25 40.499 0.371 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.008 0.724 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 40.091 -0.759 8.406 1.00 0.00 H new ATOM 436 N LYS A 26 42.873 -0.968 5.376 1.00 0.00 N ATOM 437 CA LYS A 26 43.015 -0.127 4.200 1.00 0.00 C ATOM 438 C LYS A 26 44.410 0.503 4.194 1.00 0.00 C ATOM 439 O LYS A 26 45.200 0.260 3.283 1.00 0.00 O ATOM 440 CB LYS A 26 41.879 0.895 4.132 1.00 0.00 C ATOM 441 CG LYS A 26 40.599 0.257 3.590 1.00 0.00 C ATOM 442 CD LYS A 26 39.852 -0.496 4.692 1.00 0.00 C ATOM 443 CE LYS A 26 38.620 -1.209 4.132 1.00 0.00 C ATOM 444 NZ LYS A 26 38.961 -2.590 3.722 1.00 0.00 N ATOM 0 H LYS A 26 42.819 -1.968 5.181 1.00 0.00 H new ATOM 0 HA LYS A 26 42.930 -0.724 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.693 1.304 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.173 1.728 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 26 39.954 1.029 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.845 -0.428 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.518 -1.224 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 26 39.549 0.202 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 37.832 -1.231 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 26 38.229 -0.656 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 38.113 -3.059 3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 39.697 -2.562 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 39.312 -3.120 4.545 1.00 0.00 H new ATOM 457 N ASN A 27 44.669 1.299 5.220 1.00 0.00 N ATOM 458 CA ASN A 27 45.955 1.965 5.344 1.00 0.00 C ATOM 459 C ASN A 27 45.935 3.258 4.526 1.00 0.00 C ATOM 460 O ASN A 27 46.057 3.225 3.303 1.00 0.00 O ATOM 461 CB ASN A 27 47.086 1.084 4.809 1.00 0.00 C ATOM 462 CG ASN A 27 48.428 1.478 5.430 1.00 0.00 C ATOM 463 OD1 ASN A 27 48.498 2.103 6.475 1.00 0.00 O ATOM 464 ND2 ASN A 27 49.485 1.079 4.729 1.00 0.00 N ATOM 0 H ASN A 27 44.011 1.498 5.973 1.00 0.00 H new ATOM 0 HA ASN A 27 46.128 2.171 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.872 0.038 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 27 47.142 1.176 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 27 50.426 1.293 5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 27 49.355 0.559 3.861 1.00 0.00 H new ATOM 471 N ALA A 28 45.781 4.367 5.235 1.00 0.00 N ATOM 472 CA ALA A 28 45.744 5.668 4.590 1.00 0.00 C ATOM 473 C ALA A 28 44.316 5.961 4.123 1.00 0.00 C ATOM 474 O ALA A 28 44.013 7.077 3.705 1.00 0.00 O ATOM 475 CB ALA A 28 46.751 5.696 3.438 1.00 0.00 C ATOM 0 H ALA A 28 45.680 4.391 6.250 1.00 0.00 H new ATOM 0 HA ALA A 28 46.029 6.452 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.723 6.672 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 28 47.753 5.512 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.495 4.924 2.712 1.00 0.00 H new ATOM 481 N ALA A 29 43.478 4.939 4.211 1.00 0.00 N ATOM 482 CA ALA A 29 42.090 5.073 3.804 1.00 0.00 C ATOM 483 C ALA A 29 41.217 4.167 4.675 1.00 0.00 C ATOM 484 O ALA A 29 40.261 3.565 4.188 1.00 0.00 O ATOM 485 CB ALA A 29 41.962 4.748 2.314 1.00 0.00 C ATOM 0 H ALA A 29 43.734 4.015 4.558 1.00 0.00 H new ATOM 0 HA ALA A 29 41.746 6.097 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.921 4.848 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.578 5.438 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.296 3.726 2.134 1.00 0.00 H new ATOM 491 N ALA A 30 41.577 4.099 5.948 1.00 0.00 N ATOM 492 CA ALA A 30 40.839 3.277 6.891 1.00 0.00 C ATOM 493 C ALA A 30 39.353 3.299 6.527 1.00 0.00 C ATOM 494 O ALA A 30 38.720 2.249 6.426 1.00 0.00 O ATOM 495 CB ALA A 30 41.098 3.776 8.315 1.00 0.00 C ATOM 0 H ALA A 30 42.370 4.600 6.348 1.00 0.00 H new ATOM 0 HA ALA A 30 41.175 2.241 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.544 3.159 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.164 3.713 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 30 40.771 4.812 8.403 1.00 0.00 H new ATOM 501 N ASN A 31 38.840 4.506 6.340 1.00 0.00 N ATOM 502 CA ASN A 31 37.441 4.678 5.988 1.00 0.00 C ATOM 503 C ASN A 31 37.228 6.089 5.438 1.00 0.00 C ATOM 504 O ASN A 31 36.205 6.717 5.708 1.00 0.00 O ATOM 505 CB ASN A 31 36.541 4.507 7.213 1.00 0.00 C ATOM 506 CG ASN A 31 36.824 3.181 7.922 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.330 2.117 7.296 1.00 0.00 O flip ATOM 508 ND2 ASN A 31 37.450 3.128 8.968 1.00 0.00 N flip ATOM 0 H ASN A 31 39.368 5.374 6.426 1.00 0.00 H new ATOM 0 HA ASN A 31 37.185 3.924 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.701 5.334 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.495 4.544 6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.802 3.985 9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.622 2.227 9.415 1.00 0.00 H new ATOM 515 N VAL A 32 38.210 6.547 4.675 1.00 0.00 N ATOM 516 CA VAL A 32 38.143 7.873 4.084 1.00 0.00 C ATOM 517 C VAL A 32 37.803 8.894 5.171 1.00 0.00 C ATOM 518 O VAL A 32 37.337 9.993 4.872 1.00 0.00 O ATOM 519 CB VAL A 32 37.145 7.879 2.925 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.286 6.615 2.074 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.712 8.039 3.435 1.00 0.00 C ATOM 0 H VAL A 32 39.057 6.023 4.452 1.00 0.00 H new ATOM 0 HA VAL A 32 39.109 8.154 3.665 1.00 0.00 H new ATOM 0 HB VAL A 32 37.372 8.737 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.565 6.644 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 38.295 6.562 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.098 5.737 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.023 8.040 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.468 7.211 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.622 8.980 3.978 1.00 0.00 H new ATOM 531 N LEU A 33 38.048 8.496 6.411 1.00 0.00 N ATOM 532 CA LEU A 33 37.773 9.363 7.544 1.00 0.00 C ATOM 533 C LEU A 33 36.260 9.500 7.721 1.00 0.00 C ATOM 534 O LEU A 33 35.724 9.179 8.780 1.00 0.00 O ATOM 535 CB LEU A 33 38.496 10.702 7.382 1.00 0.00 C ATOM 536 CG LEU A 33 39.705 10.926 8.294 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.810 9.911 7.998 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.208 12.367 8.193 1.00 0.00 C ATOM 0 H LEU A 33 38.434 7.584 6.656 1.00 0.00 H new ATOM 0 HA LEU A 33 38.164 8.924 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 38.825 10.792 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 33 37.779 11.503 7.559 1.00 0.00 H new ATOM 0 HG LEU A 33 39.390 10.767 9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.657 10.092 8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.431 8.902 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.131 10.014 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 33 41.067 12.499 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.502 12.579 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.414 13.051 8.491 1.00 0.00 H new ATOM 550 N ARG A 34 35.613 9.976 6.667 1.00 0.00 N ATOM 551 CA ARG A 34 34.172 10.159 6.693 1.00 0.00 C ATOM 552 C ARG A 34 33.471 8.817 6.908 1.00 0.00 C ATOM 553 O ARG A 34 32.420 8.757 7.545 1.00 0.00 O ATOM 554 CB ARG A 34 33.673 10.784 5.388 1.00 0.00 C ATOM 555 CG ARG A 34 34.078 12.257 5.296 1.00 0.00 C ATOM 556 CD ARG A 34 34.986 12.501 4.089 1.00 0.00 C ATOM 557 NE ARG A 34 36.038 13.482 4.437 1.00 0.00 N ATOM 558 CZ ARG A 34 36.684 14.252 3.536 1.00 0.00 C ATOM 559 NH1 ARG A 34 36.389 14.161 2.221 1.00 0.00 N ATOM 560 NH2 ARG A 34 37.607 15.095 3.958 1.00 0.00 N ATOM 0 H ARG A 34 36.061 10.240 5.789 1.00 0.00 H new ATOM 0 HA ARG A 34 33.938 10.832 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.082 10.237 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 32.588 10.697 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 34 33.186 12.879 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.593 12.554 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 34 35.442 11.563 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.397 12.870 3.249 1.00 0.00 H new ATOM 0 HE ARG A 34 36.291 13.583 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 34 35.674 13.507 1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 34 36.881 14.746 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 34 37.824 15.158 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 34 38.104 15.684 3.290 1.00 0.00 H new ATOM 573 N GLU A 35 34.080 7.773 6.365 1.00 0.00 N ATOM 574 CA GLU A 35 33.527 6.435 6.490 1.00 0.00 C ATOM 575 C GLU A 35 32.032 6.446 6.164 1.00 0.00 C ATOM 576 O GLU A 35 31.253 5.721 6.781 1.00 0.00 O ATOM 577 CB GLU A 35 33.779 5.866 7.888 1.00 0.00 C ATOM 578 CG GLU A 35 32.946 6.603 8.938 1.00 0.00 C ATOM 579 CD GLU A 35 32.777 5.753 10.199 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.316 4.605 10.116 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.146 6.324 11.296 1.00 0.00 O ATOM 0 H GLU A 35 34.951 7.827 5.837 1.00 0.00 H new ATOM 0 HA GLU A 35 34.031 5.786 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.532 4.804 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.838 5.950 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.428 7.547 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 35 31.967 6.847 8.525 1.00 0.00 H new ATOM 589 N THR A 36 31.676 7.277 5.195 1.00 0.00 N ATOM 590 CA THR A 36 30.289 7.392 4.779 1.00 0.00 C ATOM 591 C THR A 36 29.817 6.090 4.131 1.00 0.00 C ATOM 592 O THR A 36 28.619 5.811 4.088 1.00 0.00 O ATOM 593 CB THR A 36 30.170 8.608 3.858 1.00 0.00 C ATOM 594 OG1 THR A 36 28.879 9.137 4.146 1.00 0.00 O ATOM 595 CG2 THR A 36 30.093 8.217 2.381 1.00 0.00 C ATOM 0 H THR A 36 32.325 7.877 4.686 1.00 0.00 H new ATOM 0 HA THR A 36 29.632 7.549 5.634 1.00 0.00 H new ATOM 0 HB THR A 36 31.024 9.268 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 36 28.720 9.930 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.010 9.116 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.994 7.671 2.102 1.00 0.00 H new ATOM 0 HG23 THR A 36 29.220 7.585 2.217 1.00 0.00 H new ATOM 603 N TRP A 37 30.782 5.326 3.641 1.00 0.00 N ATOM 604 CA TRP A 37 30.480 4.059 2.997 1.00 0.00 C ATOM 605 C TRP A 37 30.583 2.955 4.051 1.00 0.00 C ATOM 606 O TRP A 37 30.897 1.811 3.728 1.00 0.00 O ATOM 607 CB TRP A 37 31.396 3.824 1.794 1.00 0.00 C ATOM 608 CG TRP A 37 32.299 5.012 1.458 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.552 5.240 1.874 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.966 6.133 0.612 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.049 6.421 1.361 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.054 6.981 0.569 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.784 6.421 -0.094 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.068 8.173 -0.165 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.815 7.616 -0.823 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.902 8.480 -0.876 1.00 0.00 C ATOM 0 H TRP A 37 31.774 5.560 3.677 1.00 0.00 H new ATOM 0 HA TRP A 37 29.467 4.063 2.596 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.019 2.951 1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.783 3.589 0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.104 4.582 2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.976 6.811 1.532 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.921 5.772 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.932 8.821 -0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.932 7.885 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.847 9.385 -1.463 1.00 0.00 H new ATOM 627 N LEU A 38 30.314 3.338 5.291 1.00 0.00 N ATOM 628 CA LEU A 38 30.372 2.395 6.395 1.00 0.00 C ATOM 629 C LEU A 38 29.223 2.679 7.364 1.00 0.00 C ATOM 630 O LEU A 38 28.530 1.759 7.796 1.00 0.00 O ATOM 631 CB LEU A 38 31.753 2.426 7.053 1.00 0.00 C ATOM 632 CG LEU A 38 32.948 2.247 6.115 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.836 0.939 5.328 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.108 3.458 5.193 1.00 0.00 C ATOM 0 H LEU A 38 30.055 4.289 5.555 1.00 0.00 H new ATOM 0 HA LEU A 38 30.239 1.376 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.864 3.377 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.790 1.643 7.810 1.00 0.00 H new ATOM 0 HG LEU A 38 33.851 2.182 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.698 0.836 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.807 0.098 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.923 0.950 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.965 3.305 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.207 3.579 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.266 4.354 5.793 1.00 0.00 H new ATOM 646 N ILE A 39 29.055 3.956 7.675 1.00 0.00 N ATOM 647 CA ILE A 39 28.001 4.372 8.585 1.00 0.00 C ATOM 648 C ILE A 39 26.850 4.979 7.781 1.00 0.00 C ATOM 649 O ILE A 39 25.694 4.906 8.194 1.00 0.00 O ATOM 650 CB ILE A 39 28.560 5.306 9.661 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.739 6.119 9.123 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.929 4.527 10.925 1.00 0.00 C ATOM 653 CD1 ILE A 39 30.064 7.293 10.048 1.00 0.00 C ATOM 0 H ILE A 39 29.631 4.716 7.313 1.00 0.00 H new ATOM 0 HA ILE A 39 27.598 3.512 9.120 1.00 0.00 H new ATOM 0 HB ILE A 39 27.780 6.015 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.614 5.476 9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 39 29.504 6.491 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.324 5.214 11.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.042 4.032 11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.685 3.780 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 39 30.906 7.854 9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 39 29.195 7.947 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 39 30.323 6.916 11.037 1.00 0.00 H new ATOM 665 N TYR A 40 27.206 5.565 6.647 1.00 0.00 N ATOM 666 CA TYR A 40 26.217 6.184 5.782 1.00 0.00 C ATOM 667 C TYR A 40 25.105 6.840 6.602 1.00 0.00 C ATOM 668 O TYR A 40 23.936 6.482 6.467 1.00 0.00 O ATOM 669 CB TYR A 40 25.618 5.050 4.947 1.00 0.00 C ATOM 670 CG TYR A 40 25.488 3.725 5.700 1.00 0.00 C ATOM 671 CD1 TYR A 40 24.388 3.491 6.500 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.471 2.763 5.580 1.00 0.00 C ATOM 673 CE1 TYR A 40 24.265 2.243 7.208 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.348 1.516 6.288 1.00 0.00 C ATOM 675 CZ TYR A 40 25.252 1.317 7.068 1.00 0.00 C ATOM 676 OH TYR A 40 25.136 0.139 7.737 1.00 0.00 O ATOM 0 H TYR A 40 28.166 5.624 6.308 1.00 0.00 H new ATOM 0 HA TYR A 40 26.676 6.958 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 40 24.632 5.354 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.239 4.895 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 40 23.619 4.244 6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 40 27.332 2.946 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 40 23.409 2.047 7.836 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.109 0.755 6.202 1.00 0.00 H new ATOM 0 HH TYR A 40 25.913 -0.426 7.542 1.00 0.00 H new ATOM 686 N LYS A 41 25.508 7.788 7.434 1.00 0.00 N ATOM 687 CA LYS A 41 24.559 8.498 8.277 1.00 0.00 C ATOM 688 C LYS A 41 23.933 7.517 9.270 1.00 0.00 C ATOM 689 O LYS A 41 24.414 7.372 10.392 1.00 0.00 O ATOM 690 CB LYS A 41 23.535 9.243 7.419 1.00 0.00 C ATOM 691 CG LYS A 41 23.787 10.752 7.452 1.00 0.00 C ATOM 692 CD LYS A 41 24.722 11.177 6.317 1.00 0.00 C ATOM 693 CE LYS A 41 24.081 12.270 5.460 1.00 0.00 C ATOM 694 NZ LYS A 41 25.111 13.215 4.971 1.00 0.00 N ATOM 0 H LYS A 41 26.479 8.082 7.543 1.00 0.00 H new ATOM 0 HA LYS A 41 25.067 9.264 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.587 8.884 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.529 9.031 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.840 11.284 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.224 11.031 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.662 11.540 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.960 10.314 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 41 23.561 11.820 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.334 12.807 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 24.660 13.951 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.589 13.658 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.809 12.701 4.396 1.00 0.00 H new ATOM 707 N ASN A 42 22.868 6.869 8.820 1.00 0.00 N ATOM 708 CA ASN A 42 22.171 5.905 9.655 1.00 0.00 C ATOM 709 C ASN A 42 21.272 5.032 8.777 1.00 0.00 C ATOM 710 O ASN A 42 21.410 3.810 8.764 1.00 0.00 O ATOM 711 CB ASN A 42 21.285 6.609 10.685 1.00 0.00 C ATOM 712 CG ASN A 42 20.619 5.596 11.619 1.00 0.00 C ATOM 713 OD1 ASN A 42 19.662 4.925 11.268 1.00 0.00 O ATOM 714 ND2 ASN A 42 21.176 5.524 12.824 1.00 0.00 N ATOM 0 H ASN A 42 22.471 6.993 7.889 1.00 0.00 H new ATOM 0 HA ASN A 42 22.919 5.303 10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.884 7.308 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.521 7.194 10.173 1.00 0.00 H new ATOM 0 HD21 ASN A 42 20.804 4.878 13.520 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.976 6.115 13.052 1.00 0.00 H new ATOM 721 N THR A 43 20.372 5.693 8.064 1.00 0.00 N ATOM 722 CA THR A 43 19.451 4.992 7.186 1.00 0.00 C ATOM 723 C THR A 43 19.869 5.170 5.724 1.00 0.00 C ATOM 724 O THR A 43 20.467 6.183 5.365 1.00 0.00 O ATOM 725 CB THR A 43 18.038 5.499 7.480 1.00 0.00 C ATOM 726 OG1 THR A 43 17.195 4.636 6.722 1.00 0.00 O ATOM 727 CG2 THR A 43 17.779 6.886 6.889 1.00 0.00 C ATOM 0 H THR A 43 20.261 6.707 8.077 1.00 0.00 H new ATOM 0 HA THR A 43 19.470 3.918 7.369 1.00 0.00 H new ATOM 0 HB THR A 43 17.880 5.529 8.558 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.259 4.893 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.762 7.199 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 43 18.486 7.600 7.312 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.904 6.849 5.807 1.00 0.00 H new ATOM 735 N LYS A 44 19.537 4.170 4.921 1.00 0.00 N ATOM 736 CA LYS A 44 19.869 4.204 3.507 1.00 0.00 C ATOM 737 C LYS A 44 18.725 4.862 2.734 1.00 0.00 C ATOM 738 O LYS A 44 17.709 4.226 2.461 1.00 0.00 O ATOM 739 CB LYS A 44 20.223 2.802 3.007 1.00 0.00 C ATOM 740 CG LYS A 44 19.000 1.884 3.037 1.00 0.00 C ATOM 741 CD LYS A 44 19.409 0.433 3.304 1.00 0.00 C ATOM 742 CE LYS A 44 18.181 -0.446 3.550 1.00 0.00 C ATOM 743 NZ LYS A 44 18.422 -1.821 3.059 1.00 0.00 N ATOM 0 H LYS A 44 19.041 3.331 5.223 1.00 0.00 H new ATOM 0 HA LYS A 44 20.758 4.812 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.612 2.862 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.014 2.380 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.309 2.219 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.470 1.947 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.972 0.048 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.070 0.391 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.950 -0.469 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.314 -0.020 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.579 -2.405 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.620 -1.795 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.236 -2.231 3.560 1.00 0.00 H new ATOM 756 N LEU A 45 18.929 6.128 2.403 1.00 0.00 N ATOM 757 CA LEU A 45 17.927 6.880 1.666 1.00 0.00 C ATOM 758 C LEU A 45 18.376 7.030 0.211 1.00 0.00 C ATOM 759 O LEU A 45 18.562 8.146 -0.273 1.00 0.00 O ATOM 760 CB LEU A 45 17.639 8.212 2.361 1.00 0.00 C ATOM 761 CG LEU A 45 18.825 9.170 2.495 1.00 0.00 C ATOM 762 CD1 LEU A 45 18.615 10.424 1.645 1.00 0.00 C ATOM 763 CD2 LEU A 45 19.091 9.510 3.963 1.00 0.00 C ATOM 0 H LEU A 45 19.773 6.653 2.631 1.00 0.00 H new ATOM 0 HA LEU A 45 16.979 6.342 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.847 8.721 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.252 8.002 3.358 1.00 0.00 H new ATOM 0 HG LEU A 45 19.715 8.669 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.472 11.088 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 18.512 10.140 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.712 10.938 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.939 10.192 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.208 9.984 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.316 8.596 4.513 1.00 0.00 H new ATOM 775 N VAL A 46 18.538 5.891 -0.446 1.00 0.00 N ATOM 776 CA VAL A 46 18.961 5.882 -1.835 1.00 0.00 C ATOM 777 C VAL A 46 17.956 6.672 -2.676 1.00 0.00 C ATOM 778 O VAL A 46 18.329 7.308 -3.660 1.00 0.00 O ATOM 779 CB VAL A 46 19.141 4.441 -2.318 1.00 0.00 C ATOM 780 CG1 VAL A 46 20.343 3.781 -1.639 1.00 0.00 C ATOM 781 CG2 VAL A 46 17.867 3.624 -2.092 1.00 0.00 C ATOM 0 H VAL A 46 18.384 4.968 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 46 19.929 6.371 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 46 19.336 4.469 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 46 20.448 2.758 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 46 21.247 4.343 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 46 20.191 3.771 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.022 2.604 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.628 3.609 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.042 4.076 -2.642 1.00 0.00 H new ATOM 791 N LYS A 47 16.701 6.607 -2.256 1.00 0.00 N ATOM 792 CA LYS A 47 15.640 7.309 -2.957 1.00 0.00 C ATOM 793 C LYS A 47 15.435 6.671 -4.333 1.00 0.00 C ATOM 794 O LYS A 47 15.963 7.158 -5.332 1.00 0.00 O ATOM 795 CB LYS A 47 15.935 8.809 -3.013 1.00 0.00 C ATOM 796 CG LYS A 47 14.672 9.627 -2.735 1.00 0.00 C ATOM 797 CD LYS A 47 14.621 10.078 -1.274 1.00 0.00 C ATOM 798 CE LYS A 47 14.995 11.556 -1.142 1.00 0.00 C ATOM 799 NZ LYS A 47 15.238 11.904 0.275 1.00 0.00 N ATOM 0 H LYS A 47 16.395 6.079 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 47 14.698 7.213 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.703 9.060 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.332 9.069 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.648 10.498 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.790 9.030 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.620 9.916 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.304 9.472 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.887 11.766 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.194 12.177 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.491 12.910 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.377 11.723 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.017 11.324 0.646 1.00 0.00 H new ATOM 812 N LYS A 48 14.667 5.592 -4.341 1.00 0.00 N ATOM 813 CA LYS A 48 14.386 4.883 -5.578 1.00 0.00 C ATOM 814 C LYS A 48 13.724 5.840 -6.571 1.00 0.00 C ATOM 815 O LYS A 48 13.191 6.877 -6.178 1.00 0.00 O ATOM 816 CB LYS A 48 13.564 3.622 -5.298 1.00 0.00 C ATOM 817 CG LYS A 48 12.351 3.942 -4.423 1.00 0.00 C ATOM 818 CD LYS A 48 11.356 2.780 -4.420 1.00 0.00 C ATOM 819 CE LYS A 48 10.466 2.816 -5.664 1.00 0.00 C ATOM 820 NZ LYS A 48 10.631 1.577 -6.456 1.00 0.00 N ATOM 0 H LYS A 48 14.230 5.191 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 48 15.312 4.537 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.232 3.183 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.189 2.879 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.678 4.149 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.861 4.844 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.896 1.834 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.737 2.829 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.423 2.930 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.720 3.682 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.020 1.618 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.623 1.485 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.366 0.756 -5.875 1.00 0.00 H new ATOM 833 N ILE A 49 13.779 5.459 -7.838 1.00 0.00 N ATOM 834 CA ILE A 49 13.192 6.271 -8.890 1.00 0.00 C ATOM 835 C ILE A 49 11.788 6.709 -8.467 1.00 0.00 C ATOM 836 O ILE A 49 11.215 6.149 -7.534 1.00 0.00 O ATOM 837 CB ILE A 49 13.226 5.524 -10.226 1.00 0.00 C ATOM 838 CG1 ILE A 49 14.434 5.952 -11.062 1.00 0.00 C ATOM 839 CG2 ILE A 49 11.911 5.701 -10.987 1.00 0.00 C ATOM 840 CD1 ILE A 49 14.416 7.460 -11.321 1.00 0.00 C ATOM 0 H ILE A 49 14.221 4.598 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 49 13.777 7.178 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 49 13.337 4.460 -10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 49 15.354 5.679 -10.544 1.00 0.00 H new ATOM 0 HG13 ILE A 49 14.432 5.416 -12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.962 5.160 -11.932 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.089 5.309 -10.389 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.744 6.760 -11.183 1.00 0.00 H new ATOM 0 HD11 ILE A 49 15.285 7.737 -11.917 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.507 7.726 -11.860 1.00 0.00 H new ATOM 0 HD13 ILE A 49 14.443 7.993 -10.370 1.00 0.00 H new ATOM 852 N ASP A 50 11.276 7.706 -9.173 1.00 0.00 N ATOM 853 CA ASP A 50 9.951 8.225 -8.883 1.00 0.00 C ATOM 854 C ASP A 50 8.958 7.685 -9.914 1.00 0.00 C ATOM 855 O ASP A 50 7.844 7.297 -9.565 1.00 0.00 O ATOM 856 CB ASP A 50 9.929 9.753 -8.961 1.00 0.00 C ATOM 857 CG ASP A 50 9.820 10.468 -7.612 1.00 0.00 C ATOM 858 OD1 ASP A 50 9.611 9.833 -6.568 1.00 0.00 O ATOM 859 OD2 ASP A 50 9.962 11.749 -7.662 1.00 0.00 O ATOM 0 H ASP A 50 11.755 8.168 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 50 9.680 7.911 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.837 10.089 -9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.089 10.058 -9.586 1.00 0.00 H new ATOM 865 N HIS A 51 9.398 7.676 -11.164 1.00 0.00 N ATOM 866 CA HIS A 51 8.562 7.190 -12.248 1.00 0.00 C ATOM 867 C HIS A 51 7.258 7.989 -12.289 1.00 0.00 C ATOM 868 O HIS A 51 6.173 7.419 -12.184 1.00 0.00 O ATOM 869 CB HIS A 51 8.330 5.683 -12.121 1.00 0.00 C ATOM 870 CG HIS A 51 8.472 4.928 -13.421 1.00 0.00 C ATOM 871 ND1 HIS A 51 7.619 3.902 -13.790 1.00 0.00 N ATOM 872 CD2 HIS A 51 9.375 5.060 -14.435 1.00 0.00 C ATOM 873 CE1 HIS A 51 8.001 3.445 -14.973 1.00 0.00 C ATOM 874 NE2 HIS A 51 9.089 4.164 -15.371 1.00 0.00 N ATOM 0 H HIS A 51 10.323 7.998 -11.450 1.00 0.00 H new ATOM 0 HA HIS A 51 9.070 7.342 -13.200 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.037 5.277 -11.398 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.331 5.512 -11.721 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.185 5.773 -14.470 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.533 2.644 -15.525 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.599 4.034 -16.245 1.00 0.00 H new ATOM 882 N ALA A 52 7.408 9.296 -12.442 1.00 0.00 N ATOM 883 CA ALA A 52 6.255 10.180 -12.498 1.00 0.00 C ATOM 884 C ALA A 52 6.725 11.605 -12.798 1.00 0.00 C ATOM 885 O ALA A 52 7.923 11.882 -12.791 1.00 0.00 O ATOM 886 CB ALA A 52 5.476 10.087 -11.185 1.00 0.00 C ATOM 0 H ALA A 52 8.310 9.765 -12.529 1.00 0.00 H new ATOM 0 HA ALA A 52 5.580 9.880 -13.299 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.612 10.750 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.140 9.061 -11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.121 10.384 -10.358 1.00 0.00 H new ATOM 892 N LYS A 53 5.756 12.472 -13.053 1.00 0.00 N ATOM 893 CA LYS A 53 6.055 13.861 -13.354 1.00 0.00 C ATOM 894 C LYS A 53 6.880 14.460 -12.214 1.00 0.00 C ATOM 895 O LYS A 53 8.105 14.536 -12.302 1.00 0.00 O ATOM 896 CB LYS A 53 4.768 14.633 -13.654 1.00 0.00 C ATOM 897 CG LYS A 53 4.848 15.325 -15.016 1.00 0.00 C ATOM 898 CD LYS A 53 4.545 14.342 -16.149 1.00 0.00 C ATOM 899 CE LYS A 53 3.046 14.299 -16.450 1.00 0.00 C ATOM 900 NZ LYS A 53 2.699 13.055 -17.173 1.00 0.00 N ATOM 0 H LYS A 53 4.763 12.239 -13.057 1.00 0.00 H new ATOM 0 HA LYS A 53 6.661 13.933 -14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.918 13.950 -13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.595 15.375 -12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.140 16.153 -15.049 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.842 15.750 -15.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.091 14.635 -17.045 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.893 13.346 -15.874 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.480 14.356 -15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.764 15.165 -17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.678 13.041 -17.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.225 13.016 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.950 12.232 -16.588 1.00 0.00 H new ATOM 913 N VAL A 54 6.176 14.870 -11.168 1.00 0.00 N ATOM 914 CA VAL A 54 6.829 15.459 -10.012 1.00 0.00 C ATOM 915 C VAL A 54 7.547 16.742 -10.435 1.00 0.00 C ATOM 916 O VAL A 54 8.772 16.825 -10.361 1.00 0.00 O ATOM 917 CB VAL A 54 7.763 14.438 -9.361 1.00 0.00 C ATOM 918 CG1 VAL A 54 8.385 15.001 -8.081 1.00 0.00 C ATOM 919 CG2 VAL A 54 7.030 13.124 -9.082 1.00 0.00 C ATOM 0 H VAL A 54 5.160 14.806 -11.098 1.00 0.00 H new ATOM 0 HA VAL A 54 6.093 15.733 -9.257 1.00 0.00 H new ATOM 0 HB VAL A 54 8.571 14.229 -10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.045 14.255 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.958 15.897 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.595 15.253 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.717 12.415 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.193 13.310 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.658 12.709 -10.019 1.00 0.00 H new ATOM 929 N ARG A 55 6.754 17.710 -10.870 1.00 0.00 N ATOM 930 CA ARG A 55 7.300 18.985 -11.306 1.00 0.00 C ATOM 931 C ARG A 55 6.576 20.138 -10.608 1.00 0.00 C ATOM 932 O ARG A 55 6.104 19.989 -9.482 1.00 0.00 O ATOM 933 CB ARG A 55 7.168 19.151 -12.821 1.00 0.00 C ATOM 934 CG ARG A 55 5.730 19.497 -13.212 1.00 0.00 C ATOM 935 CD ARG A 55 5.229 18.578 -14.328 1.00 0.00 C ATOM 936 NE ARG A 55 4.264 19.302 -15.185 1.00 0.00 N ATOM 937 CZ ARG A 55 4.616 20.096 -16.219 1.00 0.00 C ATOM 938 NH1 ARG A 55 5.917 20.274 -16.534 1.00 0.00 N ATOM 939 NH2 ARG A 55 3.669 20.695 -16.917 1.00 0.00 N ATOM 0 H ARG A 55 5.738 17.638 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 55 8.357 19.002 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.841 19.937 -13.164 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.473 18.231 -13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.081 19.405 -12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.678 20.535 -13.540 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.070 18.229 -14.928 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.755 17.695 -13.898 1.00 0.00 H new ATOM 0 HE ARG A 55 3.270 19.195 -14.982 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.642 19.807 -15.989 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.175 20.875 -17.317 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.689 20.555 -16.672 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.918 21.298 -17.701 1.00 0.00 H new ATOM 952 N LYS A 56 6.511 21.262 -11.306 1.00 0.00 N ATOM 953 CA LYS A 56 5.852 22.440 -10.768 1.00 0.00 C ATOM 954 C LYS A 56 4.839 22.964 -11.789 1.00 0.00 C ATOM 955 O LYS A 56 4.779 22.476 -12.916 1.00 0.00 O ATOM 956 CB LYS A 56 6.886 23.482 -10.337 1.00 0.00 C ATOM 957 CG LYS A 56 7.684 23.992 -11.539 1.00 0.00 C ATOM 958 CD LYS A 56 8.812 24.926 -11.093 1.00 0.00 C ATOM 959 CE LYS A 56 9.638 25.399 -12.290 1.00 0.00 C ATOM 960 NZ LYS A 56 10.962 24.738 -12.300 1.00 0.00 N ATOM 0 H LYS A 56 6.904 21.382 -12.240 1.00 0.00 H new ATOM 0 HA LYS A 56 5.294 22.186 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.384 24.317 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.565 23.045 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.102 23.148 -12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.020 24.519 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.392 25.787 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.457 24.409 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.107 25.177 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.765 26.481 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.510 25.070 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.473 24.971 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.835 23.708 -12.364 1.00 0.00 H new ATOM 973 N HIS A 57 4.069 23.952 -11.356 1.00 0.00 N ATOM 974 CA HIS A 57 3.062 24.547 -12.218 1.00 0.00 C ATOM 975 C HIS A 57 3.602 25.849 -12.815 1.00 0.00 C ATOM 976 O HIS A 57 3.029 26.917 -12.603 1.00 0.00 O ATOM 977 CB HIS A 57 1.746 24.742 -11.462 1.00 0.00 C ATOM 978 CG HIS A 57 1.745 25.929 -10.528 1.00 0.00 C ATOM 979 ND1 HIS A 57 1.228 27.182 -10.680 1.00 0.00 N flip ATOM 980 CD2 HIS A 57 2.327 25.896 -9.273 1.00 0.00 C flip ATOM 981 CE1 HIS A 57 1.479 27.876 -9.576 1.00 0.00 C flip ATOM 982 NE2 HIS A 57 2.161 27.080 -8.703 1.00 0.00 N flip ATOM 0 H HIS A 57 4.122 24.355 -10.420 1.00 0.00 H new ATOM 0 HA HIS A 57 2.842 23.872 -13.045 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.938 24.860 -12.184 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.531 23.841 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.831 25.048 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.191 28.902 -9.399 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.486 27.349 -7.774 1.00 0.00 H new ATOM 990 N GLN A 58 4.697 25.716 -13.548 1.00 0.00 N ATOM 991 CA GLN A 58 5.320 26.869 -14.177 1.00 0.00 C ATOM 992 C GLN A 58 4.530 27.288 -15.418 1.00 0.00 C ATOM 993 O GLN A 58 5.076 27.334 -16.520 1.00 0.00 O ATOM 994 CB GLN A 58 6.781 26.578 -14.529 1.00 0.00 C ATOM 995 CG GLN A 58 6.882 25.465 -15.573 1.00 0.00 C ATOM 996 CD GLN A 58 8.095 24.571 -15.306 1.00 0.00 C ATOM 997 OE1 GLN A 58 9.238 24.979 -15.427 1.00 0.00 O ATOM 998 NE2 GLN A 58 7.782 23.332 -14.936 1.00 0.00 N ATOM 0 H GLN A 58 5.169 24.828 -13.721 1.00 0.00 H new ATOM 0 HA GLN A 58 5.309 27.696 -13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.254 27.483 -14.910 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.325 26.288 -13.630 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.973 24.864 -15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.960 25.901 -16.569 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.803 23.056 -14.854 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.521 22.658 -14.734 1.00 0.00 H new ATOM 1007 N ARG A 59 3.257 27.582 -15.199 1.00 0.00 N ATOM 1008 CA ARG A 59 2.387 27.996 -16.286 1.00 0.00 C ATOM 1009 C ARG A 59 2.254 26.873 -17.317 1.00 0.00 C ATOM 1010 O ARG A 59 3.247 26.439 -17.898 1.00 0.00 O ATOM 1011 CB ARG A 59 2.925 29.251 -16.976 1.00 0.00 C ATOM 1012 CG ARG A 59 3.008 30.423 -15.995 1.00 0.00 C ATOM 1013 CD ARG A 59 4.457 30.694 -15.586 1.00 0.00 C ATOM 1014 NE ARG A 59 4.647 30.371 -14.154 1.00 0.00 N ATOM 1015 CZ ARG A 59 5.666 30.839 -13.401 1.00 0.00 C ATOM 1016 NH1 ARG A 59 6.597 31.655 -13.940 1.00 0.00 N ATOM 1017 NH2 ARG A 59 5.738 30.486 -12.132 1.00 0.00 N ATOM 0 H ARG A 59 2.807 27.542 -14.284 1.00 0.00 H new ATOM 0 HA ARG A 59 1.409 28.221 -15.860 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.913 29.048 -17.390 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.278 29.517 -17.812 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.583 31.316 -16.453 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.411 30.204 -15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.134 30.095 -16.195 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.705 31.740 -15.768 1.00 0.00 H new ATOM 0 HE ARG A 59 3.966 29.757 -13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.534 31.922 -14.922 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.364 32.004 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.031 29.869 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.501 30.830 -11.549 1.00 0.00 H new ATOM 1030 N LYS A 60 1.019 26.435 -17.512 1.00 0.00 N ATOM 1031 CA LYS A 60 0.744 25.371 -18.462 1.00 0.00 C ATOM 1032 C LYS A 60 1.506 25.643 -19.760 1.00 0.00 C ATOM 1033 O LYS A 60 1.502 26.765 -20.264 1.00 0.00 O ATOM 1034 CB LYS A 60 -0.765 25.205 -18.658 1.00 0.00 C ATOM 1035 CG LYS A 60 -1.458 24.883 -17.333 1.00 0.00 C ATOM 1036 CD LYS A 60 -0.811 23.672 -16.656 1.00 0.00 C ATOM 1037 CE LYS A 60 -1.856 22.834 -15.918 1.00 0.00 C ATOM 1038 NZ LYS A 60 -1.283 21.531 -15.513 1.00 0.00 N ATOM 0 H LYS A 60 0.198 26.798 -17.028 1.00 0.00 H new ATOM 0 HA LYS A 60 1.100 24.415 -18.077 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.183 26.119 -19.078 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.956 24.407 -19.376 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.403 25.747 -16.671 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.515 24.684 -17.510 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.309 23.058 -17.404 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.047 24.008 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.207 23.373 -15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.722 22.673 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.005 20.974 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.969 21.012 -16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.471 21.690 -14.883 1.00 0.00 H new ATOM 1051 N PHE A 61 2.142 24.596 -20.266 1.00 0.00 N ATOM 1052 CA PHE A 61 2.908 24.708 -21.496 1.00 0.00 C ATOM 1053 C PHE A 61 1.983 24.784 -22.712 1.00 0.00 C ATOM 1054 O PHE A 61 1.570 23.757 -23.247 1.00 0.00 O ATOM 1055 CB PHE A 61 3.769 23.448 -21.603 1.00 0.00 C ATOM 1056 CG PHE A 61 4.999 23.455 -20.692 1.00 0.00 C ATOM 1057 CD1 PHE A 61 4.845 23.429 -19.341 1.00 0.00 C ATOM 1058 CD2 PHE A 61 6.246 23.488 -21.234 1.00 0.00 C ATOM 1059 CE1 PHE A 61 5.986 23.436 -18.497 1.00 0.00 C ATOM 1060 CE2 PHE A 61 7.387 23.494 -20.389 1.00 0.00 C ATOM 1061 CZ PHE A 61 7.233 23.468 -19.038 1.00 0.00 C ATOM 0 H PHE A 61 2.142 23.666 -19.846 1.00 0.00 H new ATOM 0 HA PHE A 61 3.514 25.614 -21.476 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.156 22.580 -21.362 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.096 23.330 -22.636 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.855 23.403 -18.911 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.368 23.510 -22.307 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.864 23.416 -17.424 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.377 23.519 -20.819 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.101 23.473 -18.395 1.00 0.00 H new ATOM 1071 N LEU A 62 1.685 26.012 -23.113 1.00 0.00 N ATOM 1072 CA LEU A 62 0.817 26.235 -24.256 1.00 0.00 C ATOM 1073 C LEU A 62 0.970 27.681 -24.733 1.00 0.00 C ATOM 1074 O LEU A 62 1.622 28.490 -24.074 1.00 0.00 O ATOM 1075 CB LEU A 62 -0.624 25.849 -23.918 1.00 0.00 C ATOM 1076 CG LEU A 62 -1.378 26.810 -22.996 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -2.625 27.366 -23.685 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -1.710 26.141 -21.661 1.00 0.00 C ATOM 0 H LEU A 62 2.029 26.862 -22.666 1.00 0.00 H new ATOM 0 HA LEU A 62 1.109 25.592 -25.086 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.183 25.758 -24.850 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.615 24.863 -23.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.727 27.657 -22.779 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.142 28.046 -23.008 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.333 27.904 -24.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.290 26.545 -23.952 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.246 26.845 -21.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.334 25.265 -21.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.787 25.835 -21.168 1.00 0.00 H new ATOM 1090 N GLN A 63 0.358 27.963 -25.874 1.00 0.00 N ATOM 1091 CA GLN A 63 0.419 29.297 -26.446 1.00 0.00 C ATOM 1092 C GLN A 63 0.110 30.347 -25.377 1.00 0.00 C ATOM 1093 O GLN A 63 -1.038 30.497 -24.962 1.00 0.00 O ATOM 1094 CB GLN A 63 -0.535 29.427 -27.635 1.00 0.00 C ATOM 1095 CG GLN A 63 -1.992 29.286 -27.187 1.00 0.00 C ATOM 1096 CD GLN A 63 -2.897 28.934 -28.369 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -2.480 28.898 -29.515 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -4.157 28.678 -28.028 1.00 0.00 N ATOM 0 H GLN A 63 -0.183 27.290 -26.418 1.00 0.00 H new ATOM 0 HA GLN A 63 1.431 29.468 -26.814 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.391 30.394 -28.117 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.303 28.663 -28.377 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.068 28.512 -26.423 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.328 30.218 -26.732 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.440 28.726 -27.049 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.840 28.434 -28.745 1.00 0.00 H new ATOM 1107 N ALA A 64 1.156 31.047 -24.962 1.00 0.00 N ATOM 1108 CA ALA A 64 1.011 32.080 -23.950 1.00 0.00 C ATOM 1109 C ALA A 64 0.647 33.403 -24.625 1.00 0.00 C ATOM 1110 O ALA A 64 0.728 34.463 -24.006 1.00 0.00 O ATOM 1111 CB ALA A 64 2.301 32.177 -23.132 1.00 0.00 C ATOM 0 H ALA A 64 2.107 30.919 -25.308 1.00 0.00 H new ATOM 0 HA ALA A 64 0.205 31.831 -23.260 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.193 32.952 -22.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.498 31.220 -22.649 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.132 32.428 -23.791 1.00 0.00 H new ATOM 1117 N ILE A 65 0.255 33.299 -25.886 1.00 0.00 N ATOM 1118 CA ILE A 65 -0.122 34.475 -26.652 1.00 0.00 C ATOM 1119 C ILE A 65 -1.647 34.549 -26.748 1.00 0.00 C ATOM 1120 O ILE A 65 -2.322 34.812 -25.754 1.00 0.00 O ATOM 1121 CB ILE A 65 0.580 34.475 -28.012 1.00 0.00 C ATOM 1122 CG1 ILE A 65 0.529 33.089 -28.657 1.00 0.00 C ATOM 1123 CG2 ILE A 65 2.013 34.998 -27.889 1.00 0.00 C ATOM 1124 CD1 ILE A 65 0.600 33.190 -30.181 1.00 0.00 C ATOM 0 H ILE A 65 0.190 32.418 -26.397 1.00 0.00 H new ATOM 0 HA ILE A 65 0.210 35.382 -26.146 1.00 0.00 H new ATOM 0 HB ILE A 65 0.044 35.156 -28.673 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.357 32.483 -28.290 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.391 32.582 -28.365 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.489 34.988 -28.869 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.996 36.018 -27.504 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.575 34.362 -27.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.562 32.190 -30.614 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.243 33.776 -30.546 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.532 33.675 -30.470 1.00 0.00 H new ATOM 1136 N HIS A 66 -2.145 34.313 -27.953 1.00 0.00 N ATOM 1137 CA HIS A 66 -3.578 34.350 -28.191 1.00 0.00 C ATOM 1138 C HIS A 66 -4.228 33.095 -27.605 1.00 0.00 C ATOM 1139 O HIS A 66 -4.548 32.159 -28.335 1.00 0.00 O ATOM 1140 CB HIS A 66 -3.877 34.532 -29.680 1.00 0.00 C ATOM 1141 CG HIS A 66 -5.349 34.602 -30.007 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -6.215 35.482 -29.382 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -6.099 33.893 -30.900 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -7.428 35.302 -29.883 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -7.354 34.316 -30.823 1.00 0.00 N ATOM 0 H HIS A 66 -1.582 34.095 -28.775 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.012 35.212 -27.685 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.394 35.445 -30.028 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.431 33.705 -30.233 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.733 33.119 -31.558 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.319 35.841 -29.597 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.135 33.962 -31.376 1.00 0.00 H new ATOM 1153 N GLN A 67 -4.404 33.117 -26.292 1.00 0.00 N ATOM 1154 CA GLN A 67 -5.010 31.993 -25.599 1.00 0.00 C ATOM 1155 C GLN A 67 -6.388 32.382 -25.060 1.00 0.00 C ATOM 1156 O GLN A 67 -6.665 32.209 -23.874 1.00 0.00 O ATOM 1157 CB GLN A 67 -4.103 31.488 -24.475 1.00 0.00 C ATOM 1158 CG GLN A 67 -3.938 32.549 -23.385 1.00 0.00 C ATOM 1159 CD GLN A 67 -4.571 32.088 -22.070 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -4.739 30.907 -21.813 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -4.911 33.082 -21.256 1.00 0.00 N ATOM 0 H GLN A 67 -4.137 33.896 -25.690 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.138 31.178 -26.311 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.524 30.580 -24.043 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.127 31.224 -24.881 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.879 32.755 -23.230 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.400 33.482 -23.708 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.742 34.049 -21.533 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.341 32.878 -20.354 1.00 0.00 H new ATOM 1170 N LEU A 68 -7.214 32.900 -25.956 1.00 0.00 N ATOM 1171 CA LEU A 68 -8.556 33.315 -25.585 1.00 0.00 C ATOM 1172 C LEU A 68 -8.509 34.027 -24.232 1.00 0.00 C ATOM 1173 O LEU A 68 -8.722 33.406 -23.192 1.00 0.00 O ATOM 1174 CB LEU A 68 -9.515 32.123 -25.619 1.00 0.00 C ATOM 1175 CG LEU A 68 -9.807 31.537 -27.002 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -10.054 30.029 -26.918 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -10.970 32.271 -27.674 1.00 0.00 C ATOM 0 H LEU A 68 -6.980 33.042 -26.939 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.947 34.030 -26.309 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.104 31.333 -24.991 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.459 32.429 -25.169 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.927 31.685 -27.628 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.259 29.638 -27.915 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.171 29.538 -26.510 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.909 29.836 -26.269 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.157 31.835 -28.655 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.864 32.176 -27.058 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.718 33.325 -27.787 1.00 0.00 H new ATOM 1189 N ARG A 69 -8.229 35.321 -24.290 1.00 0.00 N ATOM 1190 CA ARG A 69 -8.151 36.124 -23.081 1.00 0.00 C ATOM 1191 C ARG A 69 -8.999 37.389 -23.230 1.00 0.00 C ATOM 1192 O ARG A 69 -8.550 38.484 -22.895 1.00 0.00 O ATOM 1193 CB ARG A 69 -6.705 36.520 -22.776 1.00 0.00 C ATOM 1194 CG ARG A 69 -6.057 37.203 -23.982 1.00 0.00 C ATOM 1195 CD ARG A 69 -5.012 38.228 -23.536 1.00 0.00 C ATOM 1196 NE ARG A 69 -5.466 39.595 -23.877 1.00 0.00 N ATOM 1197 CZ ARG A 69 -4.676 40.688 -23.834 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -3.382 40.583 -23.462 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -5.186 41.861 -24.159 1.00 0.00 N ATOM 0 H ARG A 69 -8.053 35.833 -25.155 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.532 35.522 -22.256 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.681 37.191 -21.918 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.131 35.634 -22.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.588 36.454 -24.620 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.823 37.696 -24.580 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.848 38.148 -22.461 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.058 38.021 -24.021 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.437 39.719 -24.163 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.996 39.673 -23.211 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.791 41.414 -23.432 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.165 41.932 -24.438 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.602 42.697 -24.131 1.00 0.00 H new ATOM 1212 N SER A 70 -10.210 37.196 -23.731 1.00 0.00 N ATOM 1213 CA SER A 70 -11.125 38.307 -23.928 1.00 0.00 C ATOM 1214 C SER A 70 -10.422 39.435 -24.687 1.00 0.00 C ATOM 1215 O SER A 70 -10.130 40.485 -24.116 1.00 0.00 O ATOM 1216 CB SER A 70 -11.662 38.822 -22.591 1.00 0.00 C ATOM 1217 OG SER A 70 -10.615 39.084 -21.660 1.00 0.00 O ATOM 0 H SER A 70 -10.579 36.286 -24.007 1.00 0.00 H new ATOM 0 HA SER A 70 -11.971 37.953 -24.517 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.235 39.734 -22.758 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.347 38.087 -22.168 1.00 0.00 H new ATOM 0 HG SER A 70 -9.838 39.446 -22.135 1.00 0.00 H new ATOM 1223 N VAL A 71 -10.171 39.180 -25.963 1.00 0.00 N ATOM 1224 CA VAL A 71 -9.509 40.161 -26.806 1.00 0.00 C ATOM 1225 C VAL A 71 -10.416 41.381 -26.971 1.00 0.00 C ATOM 1226 O VAL A 71 -11.028 41.567 -28.021 1.00 0.00 O ATOM 1227 CB VAL A 71 -9.116 39.523 -28.140 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -8.138 38.366 -27.927 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -10.352 39.062 -28.913 1.00 0.00 C ATOM 0 H VAL A 71 -10.414 38.308 -26.433 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.585 40.504 -26.340 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.612 40.282 -28.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.875 37.930 -28.891 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.237 38.736 -27.438 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.604 37.606 -27.300 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.044 38.612 -29.857 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.898 38.327 -28.322 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.997 39.918 -29.112 1.00 0.00 H new ATOM 1239 N LYS A 72 -10.475 42.182 -25.917 1.00 0.00 N ATOM 1240 CA LYS A 72 -11.298 43.380 -25.932 1.00 0.00 C ATOM 1241 C LYS A 72 -12.634 43.067 -26.608 1.00 0.00 C ATOM 1242 O LYS A 72 -12.957 43.641 -27.648 1.00 0.00 O ATOM 1243 CB LYS A 72 -10.540 44.542 -26.576 1.00 0.00 C ATOM 1244 CG LYS A 72 -10.078 45.548 -25.519 1.00 0.00 C ATOM 1245 CD LYS A 72 -9.509 46.809 -26.174 1.00 0.00 C ATOM 1246 CE LYS A 72 -10.329 48.042 -25.791 1.00 0.00 C ATOM 1247 NZ LYS A 72 -9.701 48.750 -24.653 1.00 0.00 N ATOM 0 H LYS A 72 -9.966 42.025 -25.047 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.523 43.701 -24.915 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.677 44.160 -27.122 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.181 45.041 -27.303 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.916 45.815 -24.875 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.320 45.091 -24.883 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.472 46.947 -25.866 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.507 46.691 -27.258 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.408 48.714 -26.646 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.343 47.743 -25.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.271 49.584 -24.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.648 48.112 -23.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.742 49.052 -24.919 1.00 0.00 H new ATOM 1260 N MET A 73 -13.374 42.158 -25.991 1.00 0.00 N ATOM 1261 CA MET A 73 -14.668 41.762 -26.521 1.00 0.00 C ATOM 1262 C MET A 73 -15.430 42.971 -27.067 1.00 0.00 C ATOM 1263 O MET A 73 -15.242 44.092 -26.597 1.00 0.00 O ATOM 1264 CB MET A 73 -15.491 41.097 -25.416 1.00 0.00 C ATOM 1265 CG MET A 73 -15.810 42.090 -24.296 1.00 0.00 C ATOM 1266 SD MET A 73 -17.473 41.827 -23.702 1.00 0.00 S ATOM 1267 CE MET A 73 -17.807 43.432 -22.995 1.00 0.00 C ATOM 0 H MET A 73 -13.103 41.684 -25.129 1.00 0.00 H new ATOM 0 HA MET A 73 -14.505 41.059 -27.338 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.418 40.705 -25.834 1.00 0.00 H new ATOM 0 HB3 MET A 73 -14.941 40.249 -25.009 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.100 41.969 -23.478 1.00 0.00 H new ATOM 0 HG3 MET A 73 -15.703 43.111 -24.663 1.00 0.00 H new ATOM 0 HE1 MET A 73 -18.813 43.443 -22.576 1.00 0.00 H new ATOM 0 HE2 MET A 73 -17.083 43.640 -22.207 1.00 0.00 H new ATOM 0 HE3 MET A 73 -17.729 44.194 -23.770 1.00 0.00 H new ATOM 1277 N GLU A 74 -16.275 42.703 -28.052 1.00 0.00 N ATOM 1278 CA GLU A 74 -17.066 43.755 -28.668 1.00 0.00 C ATOM 1279 C GLU A 74 -18.517 43.300 -28.832 1.00 0.00 C ATOM 1280 O GLU A 74 -19.082 43.396 -29.920 1.00 0.00 O ATOM 1281 CB GLU A 74 -16.468 44.176 -30.012 1.00 0.00 C ATOM 1282 CG GLU A 74 -16.375 42.985 -30.968 1.00 0.00 C ATOM 1283 CD GLU A 74 -15.538 43.335 -32.200 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -14.610 44.152 -32.107 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -15.880 42.724 -33.283 1.00 0.00 O ATOM 0 H GLU A 74 -16.429 41.772 -28.439 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.050 44.626 -28.013 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.082 44.958 -30.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.476 44.600 -29.856 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.931 42.134 -30.452 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.376 42.683 -31.277 1.00 0.00 H new ATOM 1293 N GLN A 75 -19.079 42.814 -27.735 1.00 0.00 N ATOM 1294 CA GLN A 75 -20.454 42.344 -27.743 1.00 0.00 C ATOM 1295 C GLN A 75 -21.354 43.347 -28.469 1.00 0.00 C ATOM 1296 O GLN A 75 -20.941 44.474 -28.739 1.00 0.00 O ATOM 1297 CB GLN A 75 -20.955 42.088 -26.321 1.00 0.00 C ATOM 1298 CG GLN A 75 -21.945 40.922 -26.290 1.00 0.00 C ATOM 1299 CD GLN A 75 -23.256 41.333 -25.616 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -23.511 42.497 -25.355 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -24.070 40.315 -25.352 1.00 0.00 N ATOM 0 H GLN A 75 -18.607 42.736 -26.834 1.00 0.00 H new ATOM 0 HA GLN A 75 -20.490 41.397 -28.281 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -20.110 41.870 -25.668 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.434 42.987 -25.933 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.145 40.583 -27.306 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -21.505 40.081 -25.755 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -23.794 39.364 -25.597 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.971 40.485 -24.904 1.00 0.00 H new ATOM 1310 N ARG A 76 -22.566 42.901 -28.764 1.00 0.00 N ATOM 1311 CA ARG A 76 -23.527 43.746 -29.453 1.00 0.00 C ATOM 1312 C ARG A 76 -22.933 44.266 -30.763 1.00 0.00 C ATOM 1313 O ARG A 76 -22.329 45.337 -30.793 1.00 0.00 O ATOM 1314 CB ARG A 76 -23.940 44.934 -28.581 1.00 0.00 C ATOM 1315 CG ARG A 76 -25.002 44.521 -27.560 1.00 0.00 C ATOM 1316 CD ARG A 76 -25.970 45.672 -27.280 1.00 0.00 C ATOM 1317 NE ARG A 76 -25.390 46.588 -26.273 1.00 0.00 N ATOM 1318 CZ ARG A 76 -25.494 46.410 -24.938 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -26.159 45.347 -24.439 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -24.936 47.292 -24.130 1.00 0.00 N ATOM 0 H ARG A 76 -22.905 41.966 -28.539 1.00 0.00 H new ATOM 0 HA ARG A 76 -24.409 43.141 -29.665 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -23.067 45.330 -28.063 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -24.328 45.735 -29.211 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -25.555 43.659 -27.933 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -24.520 44.213 -26.632 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -26.177 46.216 -28.202 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -26.921 45.279 -26.921 1.00 0.00 H new ATOM 0 HE ARG A 76 -24.880 47.405 -26.608 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.588 44.671 -25.071 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -26.233 45.220 -23.430 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -24.436 48.093 -24.516 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -25.005 47.173 -23.119 1.00 0.00 H new ATOM 1333 N LYS A 77 -23.125 43.483 -31.815 1.00 0.00 N ATOM 1334 CA LYS A 77 -22.615 43.851 -33.125 1.00 0.00 C ATOM 1335 C LYS A 77 -23.790 44.113 -34.069 1.00 0.00 C ATOM 1336 O LYS A 77 -24.885 43.592 -33.862 1.00 0.00 O ATOM 1337 CB LYS A 77 -21.639 42.790 -33.637 1.00 0.00 C ATOM 1338 CG LYS A 77 -20.191 43.197 -33.357 1.00 0.00 C ATOM 1339 CD LYS A 77 -19.409 43.373 -34.660 1.00 0.00 C ATOM 1340 CE LYS A 77 -19.261 44.854 -35.014 1.00 0.00 C ATOM 1341 NZ LYS A 77 -18.232 45.036 -36.063 1.00 0.00 N ATOM 0 H LYS A 77 -23.627 42.595 -31.787 1.00 0.00 H new ATOM 0 HA LYS A 77 -22.041 44.776 -33.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.851 41.834 -33.158 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.780 42.648 -34.708 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.174 44.128 -32.790 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.709 42.439 -32.739 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.423 42.919 -34.561 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.921 42.851 -35.469 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.216 45.248 -35.361 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.986 45.421 -34.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.144 46.047 -36.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.318 44.678 -35.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.510 44.511 -36.917 1.00 0.00 H new ATOM 1354 N LEU A 78 -23.523 44.919 -35.085 1.00 0.00 N ATOM 1355 CA LEU A 78 -24.544 45.257 -36.062 1.00 0.00 C ATOM 1356 C LEU A 78 -25.907 45.316 -35.368 1.00 0.00 C ATOM 1357 O LEU A 78 -26.265 46.336 -34.782 1.00 0.00 O ATOM 1358 CB LEU A 78 -24.498 44.285 -37.243 1.00 0.00 C ATOM 1359 CG LEU A 78 -23.741 42.977 -37.007 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -24.367 41.830 -37.802 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -22.251 43.142 -37.314 1.00 0.00 C ATOM 0 H LEU A 78 -22.613 45.349 -35.253 1.00 0.00 H new ATOM 0 HA LEU A 78 -24.356 46.244 -36.484 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -25.522 44.043 -37.528 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -24.043 44.797 -38.091 1.00 0.00 H new ATOM 0 HG LEU A 78 -23.825 42.720 -35.951 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -23.810 40.912 -37.616 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -25.403 41.695 -37.491 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -24.335 42.065 -38.866 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -21.736 42.197 -37.138 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -22.125 43.435 -38.356 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -21.829 43.911 -36.667 1.00 0.00 H new ATOM 1373 N ASN A 79 -26.630 44.209 -35.459 1.00 0.00 N ATOM 1374 CA ASN A 79 -27.945 44.123 -34.848 1.00 0.00 C ATOM 1375 C ASN A 79 -28.735 45.395 -35.164 1.00 0.00 C ATOM 1376 O ASN A 79 -29.586 45.813 -34.380 1.00 0.00 O ATOM 1377 CB ASN A 79 -27.839 43.999 -33.327 1.00 0.00 C ATOM 1378 CG ASN A 79 -27.656 42.539 -32.907 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -27.692 41.625 -33.714 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -27.458 42.372 -31.602 1.00 0.00 N ATOM 0 H ASN A 79 -26.330 43.365 -35.946 1.00 0.00 H new ATOM 0 HA ASN A 79 -28.445 43.241 -35.248 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -26.998 44.592 -32.968 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -28.737 44.405 -32.862 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -27.325 41.435 -31.222 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -27.439 43.181 -30.981 1.00 0.00 H new ATOM 1387 N ASP A 80 -28.425 45.975 -36.314 1.00 0.00 N ATOM 1388 CA ASP A 80 -29.094 47.191 -36.744 1.00 0.00 C ATOM 1389 C ASP A 80 -30.443 46.831 -37.370 1.00 0.00 C ATOM 1390 O ASP A 80 -31.477 47.368 -36.978 1.00 0.00 O ATOM 1391 CB ASP A 80 -28.267 47.933 -37.795 1.00 0.00 C ATOM 1392 CG ASP A 80 -27.847 47.090 -39.001 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -27.576 45.886 -38.875 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -27.802 47.725 -40.122 1.00 0.00 O ATOM 0 H ASP A 80 -27.719 45.625 -36.962 1.00 0.00 H new ATOM 0 HA ASP A 80 -29.224 47.831 -35.871 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -28.842 48.788 -38.151 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -27.371 48.328 -37.317 1.00 0.00 H new ATOM 1400 N GLN A 81 -30.388 45.923 -38.335 1.00 0.00 N ATOM 1401 CA GLN A 81 -31.592 45.486 -39.020 1.00 0.00 C ATOM 1402 C GLN A 81 -32.449 46.691 -39.410 1.00 0.00 C ATOM 1403 O GLN A 81 -33.492 46.938 -38.807 1.00 0.00 O ATOM 1404 CB GLN A 81 -32.388 44.504 -38.157 1.00 0.00 C ATOM 1405 CG GLN A 81 -32.100 43.058 -38.564 1.00 0.00 C ATOM 1406 CD GLN A 81 -31.195 42.369 -37.541 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -30.008 42.633 -37.447 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -31.821 41.473 -36.782 1.00 0.00 N ATOM 0 H GLN A 81 -29.528 45.479 -38.658 1.00 0.00 H new ATOM 0 HA GLN A 81 -31.298 44.964 -39.931 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -32.133 44.648 -37.107 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -33.454 44.708 -38.257 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -33.037 42.509 -38.654 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -31.625 43.041 -39.545 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -32.818 41.301 -36.913 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -31.304 40.959 -36.069 1.00 0.00 H new ATOM 1417 N ALA A 82 -31.977 47.411 -40.417 1.00 0.00 N ATOM 1418 CA ALA A 82 -32.687 48.585 -40.895 1.00 0.00 C ATOM 1419 C ALA A 82 -34.010 48.153 -41.531 1.00 0.00 C ATOM 1420 O ALA A 82 -34.042 47.750 -42.693 1.00 0.00 O ATOM 1421 CB ALA A 82 -31.797 49.358 -41.871 1.00 0.00 C ATOM 0 H ALA A 82 -31.111 47.204 -40.915 1.00 0.00 H new ATOM 0 HA ALA A 82 -32.922 49.254 -40.067 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -32.330 50.239 -42.230 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -30.884 49.668 -41.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -31.543 48.718 -42.716 1.00 0.00 H new ATOM 1427 N ASN A 83 -35.069 48.250 -40.740 1.00 0.00 N ATOM 1428 CA ASN A 83 -36.391 47.873 -41.211 1.00 0.00 C ATOM 1429 C ASN A 83 -37.447 48.661 -40.434 1.00 0.00 C ATOM 1430 O ASN A 83 -38.109 48.117 -39.552 1.00 0.00 O ATOM 1431 CB ASN A 83 -36.652 46.383 -40.985 1.00 0.00 C ATOM 1432 CG ASN A 83 -37.645 45.838 -42.014 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -37.277 45.305 -43.048 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -38.920 46.002 -41.675 1.00 0.00 N ATOM 0 H ASN A 83 -35.038 48.584 -39.777 1.00 0.00 H new ATOM 0 HA ASN A 83 -36.444 48.090 -42.278 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -35.714 45.832 -41.052 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -37.042 46.227 -39.979 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -39.659 45.673 -42.296 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -39.159 46.457 -40.794 1.00 0.00 H new ATOM 1441 N THR A 84 -37.572 49.931 -40.790 1.00 0.00 N ATOM 1442 CA THR A 84 -38.537 50.800 -40.138 1.00 0.00 C ATOM 1443 C THR A 84 -38.569 50.526 -38.633 1.00 0.00 C ATOM 1444 O THR A 84 -39.508 49.908 -38.131 1.00 0.00 O ATOM 1445 CB THR A 84 -39.892 50.600 -40.821 1.00 0.00 C ATOM 1446 OG1 THR A 84 -40.839 51.016 -39.841 1.00 0.00 O ATOM 1447 CG2 THR A 84 -40.219 49.123 -41.051 1.00 0.00 C ATOM 0 H THR A 84 -37.021 50.379 -41.522 1.00 0.00 H new ATOM 0 HA THR A 84 -38.257 51.849 -40.240 1.00 0.00 H new ATOM 0 HB THR A 84 -39.899 51.126 -41.775 1.00 0.00 H new ATOM 0 HG1 THR A 84 -40.866 50.360 -39.113 1.00 0.00 H new ATOM 0 HG21 THR A 84 -41.190 49.037 -41.538 1.00 0.00 H new ATOM 0 HG22 THR A 84 -39.454 48.676 -41.686 1.00 0.00 H new ATOM 0 HG23 THR A 84 -40.246 48.603 -40.093 1.00 0.00 H new ATOM 1455 N LEU A 85 -37.533 50.998 -37.955 1.00 0.00 N ATOM 1456 CA LEU A 85 -37.431 50.811 -36.518 1.00 0.00 C ATOM 1457 C LEU A 85 -36.187 51.537 -36.001 1.00 0.00 C ATOM 1458 O LEU A 85 -36.215 52.134 -34.926 1.00 0.00 O ATOM 1459 CB LEU A 85 -37.465 49.322 -36.167 1.00 0.00 C ATOM 1460 CG LEU A 85 -36.105 48.634 -36.031 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -35.557 48.781 -34.610 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -36.185 47.170 -36.466 1.00 0.00 C ATOM 0 H LEU A 85 -36.757 51.510 -38.375 1.00 0.00 H new ATOM 0 HA LEU A 85 -38.291 51.253 -36.014 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -38.006 49.203 -35.228 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -38.038 48.801 -36.934 1.00 0.00 H new ATOM 0 HG LEU A 85 -35.402 49.130 -36.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -34.590 48.283 -34.540 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -35.439 49.838 -34.373 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -36.251 48.326 -33.903 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -35.205 46.705 -36.359 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -36.907 46.644 -35.841 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -36.500 47.117 -37.508 1.00 0.00 H new ATOM 1474 N VAL A 86 -35.126 51.461 -36.791 1.00 0.00 N ATOM 1475 CA VAL A 86 -33.875 52.103 -36.426 1.00 0.00 C ATOM 1476 C VAL A 86 -33.636 53.303 -37.344 1.00 0.00 C ATOM 1477 O VAL A 86 -32.502 53.571 -37.739 1.00 0.00 O ATOM 1478 CB VAL A 86 -32.734 51.084 -36.464 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -32.711 50.239 -35.189 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -32.830 50.199 -37.708 1.00 0.00 C ATOM 0 H VAL A 86 -35.107 50.965 -37.682 1.00 0.00 H new ATOM 0 HA VAL A 86 -33.922 52.480 -35.404 1.00 0.00 H new ATOM 0 HB VAL A 86 -31.795 51.635 -36.517 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -31.891 49.523 -35.242 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -32.571 50.888 -34.325 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -33.655 49.703 -35.091 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -32.007 49.484 -37.710 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -33.778 49.661 -37.700 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -32.773 50.820 -38.602 1.00 0.00 H new ATOM 1490 N ASP A 87 -34.722 53.993 -37.658 1.00 0.00 N ATOM 1491 CA ASP A 87 -34.645 55.158 -38.523 1.00 0.00 C ATOM 1492 C ASP A 87 -35.374 56.329 -37.860 1.00 0.00 C ATOM 1493 O ASP A 87 -34.783 57.066 -37.072 1.00 0.00 O ATOM 1494 CB ASP A 87 -35.314 54.888 -39.872 1.00 0.00 C ATOM 1495 CG ASP A 87 -34.456 54.114 -40.875 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -34.885 53.087 -41.424 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -33.286 54.611 -41.090 1.00 0.00 O ATOM 0 H ASP A 87 -35.661 53.768 -37.329 1.00 0.00 H new ATOM 0 HA ASP A 87 -33.592 55.390 -38.683 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -36.235 54.332 -39.699 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -35.597 55.842 -40.318 1.00 0.00 H new ATOM 1503 N LEU A 88 -36.646 56.463 -38.204 1.00 0.00 N ATOM 1504 CA LEU A 88 -37.462 57.532 -37.652 1.00 0.00 C ATOM 1505 C LEU A 88 -36.621 58.806 -37.547 1.00 0.00 C ATOM 1506 O LEU A 88 -36.869 59.647 -36.684 1.00 0.00 O ATOM 1507 CB LEU A 88 -38.089 57.097 -36.326 1.00 0.00 C ATOM 1508 CG LEU A 88 -37.172 57.146 -35.102 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -37.483 58.366 -34.233 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -37.248 55.842 -34.307 1.00 0.00 C ATOM 0 H LEU A 88 -37.132 55.849 -38.858 1.00 0.00 H new ATOM 0 HA LEU A 88 -38.298 57.755 -38.315 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -38.955 57.730 -36.132 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -38.458 56.077 -36.438 1.00 0.00 H new ATOM 0 HG LEU A 88 -36.144 57.251 -35.449 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -36.817 58.377 -33.370 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -37.336 59.275 -34.816 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -38.517 58.316 -33.893 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -36.587 55.904 -33.443 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -38.272 55.681 -33.970 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -36.940 55.011 -34.941 1.00 0.00 H new ATOM 1522 N ALA A 89 -35.645 58.908 -38.437 1.00 0.00 N ATOM 1523 CA ALA A 89 -34.767 60.066 -38.454 1.00 0.00 C ATOM 1524 C ALA A 89 -33.864 60.034 -37.219 1.00 0.00 C ATOM 1525 O ALA A 89 -34.029 60.840 -36.305 1.00 0.00 O ATOM 1526 CB ALA A 89 -35.606 61.343 -38.530 1.00 0.00 C ATOM 0 H ALA A 89 -35.443 58.208 -39.151 1.00 0.00 H new ATOM 0 HA ALA A 89 -34.124 60.047 -39.334 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -34.947 62.211 -38.543 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -36.207 61.330 -39.439 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -36.263 61.399 -37.662 1.00 0.00 H new ATOM 1532 N LYS A 90 -32.929 59.096 -37.233 1.00 0.00 N ATOM 1533 CA LYS A 90 -32.000 58.949 -36.126 1.00 0.00 C ATOM 1534 C LYS A 90 -32.785 58.844 -34.817 1.00 0.00 C ATOM 1535 O LYS A 90 -33.277 57.772 -34.468 1.00 0.00 O ATOM 1536 CB LYS A 90 -30.970 60.081 -36.137 1.00 0.00 C ATOM 1537 CG LYS A 90 -29.903 59.841 -37.207 1.00 0.00 C ATOM 1538 CD LYS A 90 -28.833 58.869 -36.706 1.00 0.00 C ATOM 1539 CE LYS A 90 -28.406 57.905 -37.816 1.00 0.00 C ATOM 1540 NZ LYS A 90 -27.998 56.603 -37.242 1.00 0.00 N ATOM 0 H LYS A 90 -32.795 58.430 -37.994 1.00 0.00 H new ATOM 0 HA LYS A 90 -31.427 58.027 -36.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -31.470 61.031 -36.324 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -30.497 60.157 -35.158 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -30.369 59.441 -38.108 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -29.439 60.788 -37.482 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -27.967 59.427 -36.351 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -29.218 58.304 -35.857 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -29.229 57.759 -38.516 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -27.579 58.335 -38.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -27.711 55.961 -38.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -27.199 56.745 -36.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -28.797 56.187 -36.722 1.00 0.00 H new ATOM 1553 N THR A 91 -32.879 59.972 -34.129 1.00 0.00 N ATOM 1554 CA THR A 91 -33.596 60.021 -32.866 1.00 0.00 C ATOM 1555 C THR A 91 -34.273 61.382 -32.690 1.00 0.00 C ATOM 1556 O THR A 91 -33.958 62.120 -31.759 1.00 0.00 O ATOM 1557 CB THR A 91 -32.608 59.685 -31.748 1.00 0.00 C ATOM 1558 OG1 THR A 91 -31.498 60.545 -31.994 1.00 0.00 O ATOM 1559 CG2 THR A 91 -32.025 58.277 -31.885 1.00 0.00 C ATOM 0 H THR A 91 -32.471 60.859 -34.422 1.00 0.00 H new ATOM 0 HA THR A 91 -34.401 59.287 -32.839 1.00 0.00 H new ATOM 0 HB THR A 91 -33.107 59.779 -30.783 1.00 0.00 H new ATOM 0 HG1 THR A 91 -30.810 60.394 -31.313 1.00 0.00 H new ATOM 0 HG21 THR A 91 -31.330 58.090 -31.066 1.00 0.00 H new ATOM 0 HG22 THR A 91 -32.831 57.544 -31.851 1.00 0.00 H new ATOM 0 HG23 THR A 91 -31.498 58.192 -32.835 1.00 0.00 H new ATOM 1567 N GLN A 92 -35.192 61.671 -33.599 1.00 0.00 N ATOM 1568 CA GLN A 92 -35.917 62.930 -33.556 1.00 0.00 C ATOM 1569 C GLN A 92 -34.947 64.106 -33.682 1.00 0.00 C ATOM 1570 O GLN A 92 -34.687 64.808 -32.707 1.00 0.00 O ATOM 1571 CB GLN A 92 -36.749 63.040 -32.277 1.00 0.00 C ATOM 1572 CG GLN A 92 -38.106 62.354 -32.444 1.00 0.00 C ATOM 1573 CD GLN A 92 -39.041 63.195 -33.315 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -38.618 63.971 -34.156 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -40.333 62.998 -33.068 1.00 0.00 N ATOM 0 H GLN A 92 -35.451 61.055 -34.370 1.00 0.00 H new ATOM 0 HA GLN A 92 -36.605 62.960 -34.401 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -36.208 62.586 -31.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -36.897 64.090 -32.025 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -37.968 61.372 -32.896 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -38.560 62.194 -31.466 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -40.619 62.333 -32.349 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -41.038 63.512 -33.597 1.00 0.00 H new TER 1584 GLN A 92