USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 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 42 MET CE :methyl 163:sc= -4.97! (180deg=-3.24!) USER MOD Set 1.2: A 61 MET CE :methyl -170:sc= -10.4! (180deg=-7.62!) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.9 USER MOD Set 2.2: A 64 THR OG1 : rot -84:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 100:sc= -0.767 USER MOD Single : A 6 SER OG : rot 123:sc= 1.07 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.3!) USER MOD Single : A 21 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.5!) USER MOD Single : A 23 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 24 SER OG : rot 31:sc= 0.255 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0786 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.000811 X(o=-0.00081,f=0) USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -14:sc= -4.32! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.4!) USER MOD Single : A 58 GLN : amide:sc= -0.0064 X(o=-0.0064,f=-0.028) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -5.06! X(o=-5.1!,f=-4.6) USER MOD Single : A 70 SER OG : rot 180:sc= -1.2 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -141:sc= -3.49! (180deg=-6.38!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.994 (180deg=-1.27) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.436 21.744 -22.671 1.00 0.00 N ATOM 2 CA GLY A 1 -18.714 20.716 -21.941 1.00 0.00 C ATOM 3 C GLY A 1 -18.422 21.164 -20.507 1.00 0.00 C ATOM 4 O GLY A 1 -18.452 22.357 -20.207 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.426 21.451 -22.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.404 22.636 -22.137 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.996 21.882 -23.603 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.299 19.796 -21.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.778 20.491 -22.453 1.00 0.00 H new ATOM 8 N SER A 2 -18.146 20.184 -19.660 1.00 0.00 N ATOM 9 CA SER A 2 -17.849 20.462 -18.265 1.00 0.00 C ATOM 10 C SER A 2 -16.469 19.909 -17.903 1.00 0.00 C ATOM 11 O SER A 2 -16.337 18.734 -17.564 1.00 0.00 O ATOM 12 CB SER A 2 -18.917 19.868 -17.345 1.00 0.00 C ATOM 13 OG SER A 2 -20.170 20.532 -17.483 1.00 0.00 O ATOM 0 H SER A 2 -18.122 19.196 -19.913 1.00 0.00 H new ATOM 0 HA SER A 2 -17.848 21.543 -18.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.041 18.809 -17.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.583 19.936 -16.310 1.00 0.00 H new ATOM 0 HG SER A 2 -20.825 20.122 -16.880 1.00 0.00 H new ATOM 19 N SER A 3 -15.476 20.782 -17.988 1.00 0.00 N ATOM 20 CA SER A 3 -14.111 20.395 -17.673 1.00 0.00 C ATOM 21 C SER A 3 -13.797 20.725 -16.213 1.00 0.00 C ATOM 22 O SER A 3 -13.457 19.838 -15.432 1.00 0.00 O ATOM 23 CB SER A 3 -13.114 21.092 -18.601 1.00 0.00 C ATOM 24 OG SER A 3 -13.170 20.577 -19.929 1.00 0.00 O ATOM 0 H SER A 3 -15.589 21.756 -18.270 1.00 0.00 H new ATOM 0 HA SER A 3 -14.017 19.320 -17.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.322 22.162 -18.618 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.105 20.969 -18.207 1.00 0.00 H new ATOM 0 HG SER A 3 -12.520 21.049 -20.491 1.00 0.00 H new ATOM 30 N GLY A 4 -13.922 22.003 -15.888 1.00 0.00 N ATOM 31 CA GLY A 4 -13.655 22.461 -14.535 1.00 0.00 C ATOM 32 C GLY A 4 -14.267 21.511 -13.504 1.00 0.00 C ATOM 33 O GLY A 4 -13.547 20.796 -12.809 1.00 0.00 O ATOM 0 H GLY A 4 -14.205 22.736 -16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.579 22.531 -14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.063 23.463 -14.399 1.00 0.00 H new ATOM 37 N SER A 5 -15.590 21.534 -13.437 1.00 0.00 N ATOM 38 CA SER A 5 -16.307 20.684 -12.503 1.00 0.00 C ATOM 39 C SER A 5 -15.784 19.249 -12.593 1.00 0.00 C ATOM 40 O SER A 5 -15.314 18.692 -11.603 1.00 0.00 O ATOM 41 CB SER A 5 -17.813 20.717 -12.771 1.00 0.00 C ATOM 42 OG SER A 5 -18.119 20.426 -14.132 1.00 0.00 O ATOM 0 H SER A 5 -16.184 22.128 -14.015 1.00 0.00 H new ATOM 0 HA SER A 5 -16.136 21.064 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.312 19.995 -12.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.206 21.701 -12.513 1.00 0.00 H new ATOM 0 HG SER A 5 -18.399 19.490 -14.211 1.00 0.00 H new ATOM 48 N SER A 6 -15.883 18.691 -13.791 1.00 0.00 N ATOM 49 CA SER A 6 -15.426 17.332 -14.024 1.00 0.00 C ATOM 50 C SER A 6 -14.089 17.101 -13.318 1.00 0.00 C ATOM 51 O SER A 6 -13.974 16.216 -12.472 1.00 0.00 O ATOM 52 CB SER A 6 -15.292 17.045 -15.521 1.00 0.00 C ATOM 53 OG SER A 6 -16.555 16.803 -16.134 1.00 0.00 O ATOM 0 H SER A 6 -16.273 19.156 -14.611 1.00 0.00 H new ATOM 0 HA SER A 6 -16.169 16.647 -13.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.808 17.890 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.646 16.179 -15.668 1.00 0.00 H new ATOM 0 HG SER A 6 -16.688 17.436 -16.870 1.00 0.00 H new ATOM 59 N GLY A 7 -13.111 17.914 -13.691 1.00 0.00 N ATOM 60 CA GLY A 7 -11.786 17.810 -13.104 1.00 0.00 C ATOM 61 C GLY A 7 -11.866 17.753 -11.577 1.00 0.00 C ATOM 62 O GLY A 7 -11.457 16.767 -10.966 1.00 0.00 O ATOM 0 H GLY A 7 -13.210 18.648 -14.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.287 16.916 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.181 18.664 -13.408 1.00 0.00 H new ATOM 66 N SER A 8 -12.395 18.825 -11.004 1.00 0.00 N ATOM 67 CA SER A 8 -12.534 18.910 -9.560 1.00 0.00 C ATOM 68 C SER A 8 -13.393 20.120 -9.188 1.00 0.00 C ATOM 69 O SER A 8 -12.886 21.235 -9.078 1.00 0.00 O ATOM 70 CB SER A 8 -11.167 19.000 -8.880 1.00 0.00 C ATOM 71 OG SER A 8 -11.249 18.745 -7.480 1.00 0.00 O ATOM 0 H SER A 8 -12.732 19.642 -11.514 1.00 0.00 H new ATOM 0 HA SER A 8 -13.025 18.002 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.486 18.284 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.745 19.992 -9.044 1.00 0.00 H new ATOM 0 HG SER A 8 -10.356 18.810 -7.083 1.00 0.00 H new ATOM 77 N SER A 9 -14.679 19.859 -9.004 1.00 0.00 N ATOM 78 CA SER A 9 -15.613 20.913 -8.646 1.00 0.00 C ATOM 79 C SER A 9 -15.338 21.393 -7.220 1.00 0.00 C ATOM 80 O SER A 9 -15.315 22.595 -6.959 1.00 0.00 O ATOM 81 CB SER A 9 -17.060 20.434 -8.775 1.00 0.00 C ATOM 82 OG SER A 9 -17.944 21.494 -9.130 1.00 0.00 O ATOM 0 H SER A 9 -15.096 18.933 -9.096 1.00 0.00 H new ATOM 0 HA SER A 9 -15.471 21.745 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.116 19.648 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.382 19.994 -7.831 1.00 0.00 H new ATOM 0 HG SER A 9 -18.858 21.147 -9.204 1.00 0.00 H new ATOM 88 N PHE A 10 -15.136 20.430 -6.333 1.00 0.00 N ATOM 89 CA PHE A 10 -14.863 20.739 -4.940 1.00 0.00 C ATOM 90 C PHE A 10 -14.382 19.498 -4.186 1.00 0.00 C ATOM 91 O PHE A 10 -13.445 19.573 -3.392 1.00 0.00 O ATOM 92 CB PHE A 10 -16.179 21.218 -4.323 1.00 0.00 C ATOM 93 CG PHE A 10 -17.198 20.102 -4.087 1.00 0.00 C ATOM 94 CD1 PHE A 10 -17.197 19.417 -2.912 1.00 0.00 C ATOM 95 CD2 PHE A 10 -18.105 19.795 -5.053 1.00 0.00 C ATOM 96 CE1 PHE A 10 -18.144 18.381 -2.693 1.00 0.00 C ATOM 97 CE2 PHE A 10 -19.051 18.758 -4.834 1.00 0.00 C ATOM 98 CZ PHE A 10 -19.051 18.074 -3.659 1.00 0.00 C ATOM 0 H PHE A 10 -15.156 19.434 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.082 21.496 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.966 21.708 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.623 21.969 -4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.476 19.661 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -18.106 20.339 -5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.144 17.837 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -19.770 18.513 -5.601 1.00 0.00 H new ATOM 0 HZ PHE A 10 -19.771 17.287 -3.493 1.00 0.00 H new ATOM 108 N GLN A 11 -15.045 18.384 -4.461 1.00 0.00 N ATOM 109 CA GLN A 11 -14.697 17.128 -3.819 1.00 0.00 C ATOM 110 C GLN A 11 -13.284 16.700 -4.222 1.00 0.00 C ATOM 111 O GLN A 11 -13.047 16.332 -5.371 1.00 0.00 O ATOM 112 CB GLN A 11 -15.717 16.039 -4.156 1.00 0.00 C ATOM 113 CG GLN A 11 -15.725 15.740 -5.656 1.00 0.00 C ATOM 114 CD GLN A 11 -15.034 14.409 -5.955 1.00 0.00 C ATOM 115 OE1 GLN A 11 -15.020 13.493 -5.149 1.00 0.00 O ATOM 116 NE2 GLN A 11 -14.462 14.353 -7.154 1.00 0.00 N ATOM 0 H GLN A 11 -15.821 18.325 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.717 17.276 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.481 15.131 -3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.711 16.356 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.752 15.710 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.221 16.544 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.511 15.156 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.974 13.507 -7.447 1.00 0.00 H new ATOM 125 N GLY A 12 -12.383 16.762 -3.253 1.00 0.00 N ATOM 126 CA GLY A 12 -11.000 16.385 -3.492 1.00 0.00 C ATOM 127 C GLY A 12 -10.339 15.880 -2.207 1.00 0.00 C ATOM 128 O GLY A 12 -10.277 16.601 -1.213 1.00 0.00 O ATOM 0 H GLY A 12 -12.583 17.068 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.958 15.609 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.447 17.242 -3.877 1.00 0.00 H new ATOM 132 N PRO A 13 -9.850 14.613 -2.272 1.00 0.00 N ATOM 133 CA PRO A 13 -9.196 14.004 -1.127 1.00 0.00 C ATOM 134 C PRO A 13 -7.790 14.574 -0.931 1.00 0.00 C ATOM 135 O PRO A 13 -6.799 13.864 -1.097 1.00 0.00 O ATOM 136 CB PRO A 13 -9.196 12.512 -1.421 1.00 0.00 C ATOM 137 CG PRO A 13 -9.428 12.383 -2.917 1.00 0.00 C ATOM 138 CD PRO A 13 -9.905 13.730 -3.434 1.00 0.00 C ATOM 0 HA PRO A 13 -9.711 14.212 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.249 12.057 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.979 12.003 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.509 12.085 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.170 11.611 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.266 14.094 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.917 13.665 -3.835 1.00 0.00 H new ATOM 146 N LEU A 14 -7.747 15.851 -0.579 1.00 0.00 N ATOM 147 CA LEU A 14 -6.479 16.524 -0.359 1.00 0.00 C ATOM 148 C LEU A 14 -5.551 15.606 0.439 1.00 0.00 C ATOM 149 O LEU A 14 -4.415 15.362 0.035 1.00 0.00 O ATOM 150 CB LEU A 14 -6.703 17.890 0.294 1.00 0.00 C ATOM 151 CG LEU A 14 -6.624 19.100 -0.638 1.00 0.00 C ATOM 152 CD1 LEU A 14 -7.716 20.120 -0.307 1.00 0.00 C ATOM 153 CD2 LEU A 14 -5.228 19.725 -0.608 1.00 0.00 C ATOM 0 H LEU A 14 -8.570 16.437 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.986 16.728 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.684 17.887 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.965 18.017 1.086 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.802 18.758 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.637 20.970 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.695 19.655 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.595 20.462 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.199 20.583 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.996 20.050 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.492 18.988 -0.930 1.00 0.00 H new ATOM 165 N ASP A 15 -6.069 15.123 1.559 1.00 0.00 N ATOM 166 CA ASP A 15 -5.301 14.238 2.418 1.00 0.00 C ATOM 167 C ASP A 15 -4.511 13.253 1.552 1.00 0.00 C ATOM 168 O ASP A 15 -3.295 13.135 1.692 1.00 0.00 O ATOM 169 CB ASP A 15 -6.218 13.428 3.336 1.00 0.00 C ATOM 170 CG ASP A 15 -7.615 13.154 2.776 1.00 0.00 C ATOM 171 OD1 ASP A 15 -7.722 13.075 1.533 1.00 0.00 O ATOM 172 OD2 ASP A 15 -8.544 13.029 3.603 1.00 0.00 O ATOM 0 H ASP A 15 -7.011 15.328 1.891 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.635 14.852 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.737 12.475 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.320 13.959 4.283 1.00 0.00 H new ATOM 177 N ALA A 16 -5.235 12.572 0.676 1.00 0.00 N ATOM 178 CA ALA A 16 -4.618 11.602 -0.212 1.00 0.00 C ATOM 179 C ALA A 16 -4.192 10.375 0.597 1.00 0.00 C ATOM 180 O ALA A 16 -3.020 10.003 0.596 1.00 0.00 O ATOM 181 CB ALA A 16 -3.443 12.255 -0.943 1.00 0.00 C ATOM 0 H ALA A 16 -6.244 12.673 0.562 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.328 11.268 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.980 11.528 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.803 13.103 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.708 12.600 -0.215 1.00 0.00 H new ATOM 187 N THR A 17 -5.168 9.781 1.268 1.00 0.00 N ATOM 188 CA THR A 17 -4.909 8.603 2.079 1.00 0.00 C ATOM 189 C THR A 17 -5.457 7.351 1.392 1.00 0.00 C ATOM 190 O THR A 17 -6.510 7.397 0.759 1.00 0.00 O ATOM 191 CB THR A 17 -5.505 8.845 3.467 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.788 9.972 3.962 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.167 7.725 4.453 1.00 0.00 C ATOM 0 H THR A 17 -6.139 10.093 1.267 1.00 0.00 H new ATOM 0 HA THR A 17 -3.839 8.429 2.194 1.00 0.00 H new ATOM 0 HB THR A 17 -6.588 8.941 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.113 10.198 4.859 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.614 7.946 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.561 6.780 4.079 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.085 7.650 4.561 1.00 0.00 H new ATOM 201 N VAL A 18 -4.717 6.262 1.540 1.00 0.00 N ATOM 202 CA VAL A 18 -5.115 4.999 0.941 1.00 0.00 C ATOM 203 C VAL A 18 -4.819 3.861 1.919 1.00 0.00 C ATOM 204 O VAL A 18 -3.803 3.880 2.612 1.00 0.00 O ATOM 205 CB VAL A 18 -4.423 4.820 -0.412 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.702 6.011 -1.331 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.919 4.605 -0.234 1.00 0.00 C ATOM 0 H VAL A 18 -3.844 6.228 2.066 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.187 4.990 0.746 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.835 3.928 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.199 5.859 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.776 6.099 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.330 6.924 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.451 4.481 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.485 5.469 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.748 3.712 0.367 1.00 0.00 H new ATOM 217 N VAL A 19 -5.726 2.895 1.945 1.00 0.00 N ATOM 218 CA VAL A 19 -5.575 1.750 2.826 1.00 0.00 C ATOM 219 C VAL A 19 -4.833 0.635 2.085 1.00 0.00 C ATOM 220 O VAL A 19 -5.257 0.210 1.012 1.00 0.00 O ATOM 221 CB VAL A 19 -6.943 1.310 3.352 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.914 1.046 2.200 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.814 0.081 4.254 1.00 0.00 C ATOM 0 H VAL A 19 -6.568 2.882 1.370 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.976 2.016 3.697 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.349 2.124 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.879 0.735 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.041 1.957 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.515 0.258 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.800 -0.211 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.376 -0.741 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.173 0.319 5.103 1.00 0.00 H new ATOM 233 N VAL A 20 -3.738 0.194 2.688 1.00 0.00 N ATOM 234 CA VAL A 20 -2.934 -0.862 2.098 1.00 0.00 C ATOM 235 C VAL A 20 -3.151 -2.159 2.881 1.00 0.00 C ATOM 236 O VAL A 20 -3.198 -2.146 4.110 1.00 0.00 O ATOM 237 CB VAL A 20 -1.466 -0.434 2.045 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.556 -1.630 1.756 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.255 0.676 1.014 1.00 0.00 C ATOM 0 H VAL A 20 -3.390 0.549 3.578 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.242 -1.048 1.069 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.198 -0.037 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.482 -1.298 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.674 -2.376 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.826 -2.069 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.203 0.961 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.550 0.317 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.861 1.541 1.282 1.00 0.00 H new ATOM 249 N ASN A 21 -3.276 -3.248 2.136 1.00 0.00 N ATOM 250 CA ASN A 21 -3.487 -4.550 2.745 1.00 0.00 C ATOM 251 C ASN A 21 -2.962 -5.638 1.806 1.00 0.00 C ATOM 252 O ASN A 21 -2.566 -5.351 0.677 1.00 0.00 O ATOM 253 CB ASN A 21 -4.975 -4.812 2.985 1.00 0.00 C ATOM 254 CG ASN A 21 -5.539 -3.849 4.032 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.019 -3.707 5.126 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.629 -3.197 3.636 1.00 0.00 N ATOM 0 H ASN A 21 -3.235 -3.255 1.117 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.960 -4.565 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.523 -4.700 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.118 -5.840 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.081 -2.531 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.013 -3.363 2.706 1.00 0.00 H new ATOM 263 N LEU A 22 -2.974 -6.865 2.307 1.00 0.00 N ATOM 264 CA LEU A 22 -2.504 -7.997 1.527 1.00 0.00 C ATOM 265 C LEU A 22 -3.706 -8.782 1.001 1.00 0.00 C ATOM 266 O LEU A 22 -4.621 -9.106 1.757 1.00 0.00 O ATOM 267 CB LEU A 22 -1.527 -8.843 2.347 1.00 0.00 C ATOM 268 CG LEU A 22 -0.163 -8.210 2.627 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.863 -9.273 3.025 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.310 -7.376 1.435 1.00 0.00 C ATOM 0 H LEU A 22 -3.302 -7.100 3.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.942 -7.655 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.997 -9.082 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.367 -9.786 1.825 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.269 -7.531 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.824 -8.797 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.525 -9.786 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.972 -9.994 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.282 -6.937 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.395 -8.014 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.410 -6.581 1.238 1.00 0.00 H new ATOM 282 N GLN A 23 -3.666 -9.067 -0.293 1.00 0.00 N ATOM 283 CA GLN A 23 -4.741 -9.809 -0.930 1.00 0.00 C ATOM 284 C GLN A 23 -4.856 -11.207 -0.318 1.00 0.00 C ATOM 285 O GLN A 23 -5.935 -11.615 0.108 1.00 0.00 O ATOM 286 CB GLN A 23 -4.531 -9.887 -2.443 1.00 0.00 C ATOM 287 CG GLN A 23 -5.035 -8.618 -3.133 1.00 0.00 C ATOM 288 CD GLN A 23 -5.439 -8.905 -4.581 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.467 -9.501 -4.860 1.00 0.00 O ATOM 290 NE2 GLN A 23 -4.575 -8.450 -5.484 1.00 0.00 N ATOM 0 H GLN A 23 -2.906 -8.797 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.677 -9.279 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.472 -10.027 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.056 -10.755 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.888 -8.217 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.257 -7.855 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.733 -7.959 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.754 -8.592 -6.478 1.00 0.00 H new ATOM 299 N SER A 24 -3.729 -11.902 -0.295 1.00 0.00 N ATOM 300 CA SER A 24 -3.689 -13.246 0.257 1.00 0.00 C ATOM 301 C SER A 24 -2.511 -13.380 1.223 1.00 0.00 C ATOM 302 O SER A 24 -1.520 -14.038 0.912 1.00 0.00 O ATOM 303 CB SER A 24 -3.588 -14.294 -0.853 1.00 0.00 C ATOM 304 OG SER A 24 -2.403 -14.137 -1.629 1.00 0.00 O ATOM 0 H SER A 24 -2.836 -11.560 -0.650 1.00 0.00 H new ATOM 0 HA SER A 24 -4.617 -13.421 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.604 -15.291 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.460 -14.219 -1.503 1.00 0.00 H new ATOM 0 HG SER A 24 -1.688 -13.774 -1.065 1.00 0.00 H new ATOM 310 N PRO A 25 -2.662 -12.728 2.407 1.00 0.00 N ATOM 311 CA PRO A 25 -1.622 -12.768 3.422 1.00 0.00 C ATOM 312 C PRO A 25 -1.600 -14.124 4.131 1.00 0.00 C ATOM 313 O PRO A 25 -2.593 -14.850 4.120 1.00 0.00 O ATOM 314 CB PRO A 25 -1.940 -11.614 4.357 1.00 0.00 C ATOM 315 CG PRO A 25 -3.396 -11.259 4.102 1.00 0.00 C ATOM 316 CD PRO A 25 -3.822 -11.938 2.811 1.00 0.00 C ATOM 0 HA PRO A 25 -0.621 -12.659 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.784 -11.900 5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.290 -10.761 4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.021 -11.590 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.517 -10.179 4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.697 -12.570 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.088 -11.206 2.048 1.00 0.00 H new ATOM 324 N THR A 26 -0.458 -14.424 4.731 1.00 0.00 N ATOM 325 CA THR A 26 -0.293 -15.679 5.444 1.00 0.00 C ATOM 326 C THR A 26 -0.409 -15.454 6.953 1.00 0.00 C ATOM 327 O THR A 26 -0.552 -14.320 7.406 1.00 0.00 O ATOM 328 CB THR A 26 1.043 -16.292 5.021 1.00 0.00 C ATOM 329 OG1 THR A 26 0.966 -16.347 3.599 1.00 0.00 O ATOM 330 CG2 THR A 26 1.176 -17.756 5.444 1.00 0.00 C ATOM 0 H THR A 26 0.363 -13.819 4.738 1.00 0.00 H new ATOM 0 HA THR A 26 -1.084 -16.385 5.191 1.00 0.00 H new ATOM 0 HB THR A 26 1.860 -15.714 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.717 -16.872 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.142 -18.142 5.119 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.102 -17.829 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.379 -18.341 4.986 1.00 0.00 H new ATOM 338 N LEU A 27 -0.342 -16.554 7.689 1.00 0.00 N ATOM 339 CA LEU A 27 -0.437 -16.491 9.138 1.00 0.00 C ATOM 340 C LEU A 27 0.543 -15.441 9.664 1.00 0.00 C ATOM 341 O LEU A 27 0.172 -14.588 10.469 1.00 0.00 O ATOM 342 CB LEU A 27 -0.237 -17.880 9.748 1.00 0.00 C ATOM 343 CG LEU A 27 -1.496 -18.738 9.890 1.00 0.00 C ATOM 344 CD1 LEU A 27 -2.522 -18.059 10.800 1.00 0.00 C ATOM 345 CD2 LEU A 27 -2.083 -19.081 8.520 1.00 0.00 C ATOM 0 H LEU A 27 -0.223 -17.493 7.309 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.435 -16.175 9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.482 -18.424 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.211 -17.761 10.735 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.217 -19.679 10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.407 -18.689 10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.088 -17.909 11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.802 -17.095 10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.977 -19.691 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.344 -18.162 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.347 -19.635 7.937 1.00 0.00 H new ATOM 357 N GLU A 28 1.776 -15.538 9.188 1.00 0.00 N ATOM 358 CA GLU A 28 2.813 -14.607 9.600 1.00 0.00 C ATOM 359 C GLU A 28 2.328 -13.165 9.435 1.00 0.00 C ATOM 360 O GLU A 28 2.512 -12.339 10.327 1.00 0.00 O ATOM 361 CB GLU A 28 4.105 -14.843 8.817 1.00 0.00 C ATOM 362 CG GLU A 28 3.862 -14.732 7.310 1.00 0.00 C ATOM 363 CD GLU A 28 4.877 -15.567 6.527 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.071 -16.738 6.920 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.435 -15.016 5.554 1.00 0.00 O ATOM 0 H GLU A 28 2.080 -16.247 8.521 1.00 0.00 H new ATOM 0 HA GLU A 28 3.030 -14.779 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.857 -14.116 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.502 -15.830 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.852 -15.068 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.931 -13.688 7.003 1.00 0.00 H new ATOM 372 N GLU A 29 1.717 -12.908 8.288 1.00 0.00 N ATOM 373 CA GLU A 29 1.204 -11.580 7.995 1.00 0.00 C ATOM 374 C GLU A 29 -0.049 -11.299 8.827 1.00 0.00 C ATOM 375 O GLU A 29 -0.190 -10.219 9.398 1.00 0.00 O ATOM 376 CB GLU A 29 0.917 -11.421 6.500 1.00 0.00 C ATOM 377 CG GLU A 29 2.170 -10.974 5.746 1.00 0.00 C ATOM 378 CD GLU A 29 2.485 -11.928 4.592 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.532 -12.589 4.126 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.672 -11.975 4.202 1.00 0.00 O ATOM 0 H GLU A 29 1.566 -13.596 7.551 1.00 0.00 H new ATOM 0 HA GLU A 29 1.966 -10.849 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.561 -12.367 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.121 -10.691 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.026 -9.965 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.017 -10.935 6.431 1.00 0.00 H new ATOM 387 N LYS A 30 -0.927 -12.291 8.869 1.00 0.00 N ATOM 388 CA LYS A 30 -2.163 -12.164 9.622 1.00 0.00 C ATOM 389 C LYS A 30 -1.836 -11.819 11.076 1.00 0.00 C ATOM 390 O LYS A 30 -2.690 -11.316 11.805 1.00 0.00 O ATOM 391 CB LYS A 30 -3.017 -13.424 9.466 1.00 0.00 C ATOM 392 CG LYS A 30 -3.673 -13.474 8.084 1.00 0.00 C ATOM 393 CD LYS A 30 -4.960 -14.301 8.118 1.00 0.00 C ATOM 394 CE LYS A 30 -5.098 -15.151 6.853 1.00 0.00 C ATOM 395 NZ LYS A 30 -6.517 -15.501 6.617 1.00 0.00 N ATOM 0 H LYS A 30 -0.807 -13.186 8.394 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.767 -11.347 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.396 -14.308 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.786 -13.445 10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.896 -12.462 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.978 -13.905 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.959 -14.947 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.820 -13.638 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.704 -14.605 5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.504 -16.060 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.594 -16.078 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.881 -16.041 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.075 -14.631 6.502 1.00 0.00 H new ATOM 409 N ASN A 31 -0.599 -12.103 11.455 1.00 0.00 N ATOM 410 CA ASN A 31 -0.149 -11.829 12.809 1.00 0.00 C ATOM 411 C ASN A 31 0.305 -10.371 12.905 1.00 0.00 C ATOM 412 O ASN A 31 -0.101 -9.649 13.815 1.00 0.00 O ATOM 413 CB ASN A 31 1.036 -12.719 13.187 1.00 0.00 C ATOM 414 CG ASN A 31 1.031 -13.033 14.684 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.003 -13.034 15.341 1.00 0.00 O ATOM 416 ND2 ASN A 31 2.234 -13.298 15.185 1.00 0.00 N ATOM 0 H ASN A 31 0.106 -12.520 10.848 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.979 -12.028 13.487 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.994 -13.647 12.617 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.968 -12.222 12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.337 -13.519 16.175 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.054 -13.280 14.579 1.00 0.00 H new ATOM 423 N GLU A 32 1.143 -9.981 11.955 1.00 0.00 N ATOM 424 CA GLU A 32 1.657 -8.623 11.922 1.00 0.00 C ATOM 425 C GLU A 32 2.372 -8.358 10.595 1.00 0.00 C ATOM 426 O GLU A 32 3.102 -9.215 10.098 1.00 0.00 O ATOM 427 CB GLU A 32 2.586 -8.359 13.108 1.00 0.00 C ATOM 428 CG GLU A 32 2.147 -7.115 13.883 1.00 0.00 C ATOM 429 CD GLU A 32 3.323 -6.162 14.104 1.00 0.00 C ATOM 430 OE1 GLU A 32 4.431 -6.679 14.366 1.00 0.00 O ATOM 431 OE2 GLU A 32 3.089 -4.938 14.005 1.00 0.00 O ATOM 0 H GLU A 32 1.478 -10.582 11.203 1.00 0.00 H new ATOM 0 HA GLU A 32 0.815 -7.935 12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.588 -9.223 13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.608 -8.228 12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.356 -6.602 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.728 -7.411 14.845 1.00 0.00 H new ATOM 438 N PHE A 33 2.138 -7.169 10.060 1.00 0.00 N ATOM 439 CA PHE A 33 2.751 -6.781 8.801 1.00 0.00 C ATOM 440 C PHE A 33 4.276 -6.871 8.884 1.00 0.00 C ATOM 441 O PHE A 33 4.889 -6.282 9.773 1.00 0.00 O ATOM 442 CB PHE A 33 2.351 -5.328 8.538 1.00 0.00 C ATOM 443 CG PHE A 33 2.351 -4.941 7.057 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.522 -4.896 6.367 1.00 0.00 C ATOM 445 CD2 PHE A 33 1.181 -4.643 6.432 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.523 -4.537 4.993 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.181 -4.284 5.058 1.00 0.00 C ATOM 448 CZ PHE A 33 2.352 -4.238 4.368 1.00 0.00 C ATOM 0 H PHE A 33 1.532 -6.461 10.475 1.00 0.00 H new ATOM 0 HA PHE A 33 2.417 -7.445 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.356 -5.156 8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.035 -4.671 9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.451 -5.133 6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.251 -4.679 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.453 -4.501 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.252 -4.048 4.561 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.352 -3.964 3.323 1.00 0.00 H new ATOM 458 N PRO A 34 4.860 -7.631 7.919 1.00 0.00 N ATOM 459 CA PRO A 34 6.302 -7.805 7.874 1.00 0.00 C ATOM 460 C PRO A 34 6.990 -6.545 7.346 1.00 0.00 C ATOM 461 O PRO A 34 6.567 -5.978 6.339 1.00 0.00 O ATOM 462 CB PRO A 34 6.524 -9.020 6.988 1.00 0.00 C ATOM 463 CG PRO A 34 5.239 -9.200 6.197 1.00 0.00 C ATOM 464 CD PRO A 34 4.166 -8.343 6.850 1.00 0.00 C ATOM 0 HA PRO A 34 6.738 -7.963 8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.374 -8.868 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.742 -9.905 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.385 -8.903 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.939 -10.248 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.723 -7.650 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.355 -8.956 7.244 1.00 0.00 H new ATOM 472 N GLU A 35 8.040 -6.144 8.047 1.00 0.00 N ATOM 473 CA GLU A 35 8.791 -4.962 7.661 1.00 0.00 C ATOM 474 C GLU A 35 9.355 -5.129 6.249 1.00 0.00 C ATOM 475 O GLU A 35 9.327 -4.193 5.451 1.00 0.00 O ATOM 476 CB GLU A 35 9.907 -4.669 8.666 1.00 0.00 C ATOM 477 CG GLU A 35 10.878 -5.847 8.767 1.00 0.00 C ATOM 478 CD GLU A 35 11.494 -5.932 10.165 1.00 0.00 C ATOM 479 OE1 GLU A 35 10.837 -6.537 11.039 1.00 0.00 O ATOM 480 OE2 GLU A 35 12.608 -5.390 10.327 1.00 0.00 O ATOM 0 H GLU A 35 8.389 -6.617 8.881 1.00 0.00 H new ATOM 0 HA GLU A 35 8.113 -4.109 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.448 -3.772 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.475 -4.465 9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.354 -6.775 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.668 -5.737 8.024 1.00 0.00 H new ATOM 487 N ASP A 36 9.853 -6.327 5.983 1.00 0.00 N ATOM 488 CA ASP A 36 10.423 -6.629 4.681 1.00 0.00 C ATOM 489 C ASP A 36 9.472 -6.137 3.587 1.00 0.00 C ATOM 490 O ASP A 36 9.902 -5.846 2.472 1.00 0.00 O ATOM 491 CB ASP A 36 10.614 -8.136 4.499 1.00 0.00 C ATOM 492 CG ASP A 36 12.063 -8.619 4.582 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.837 -8.249 3.673 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.364 -9.347 5.552 1.00 0.00 O ATOM 0 H ASP A 36 9.874 -7.101 6.647 1.00 0.00 H new ATOM 0 HA ASP A 36 11.391 -6.133 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.030 -8.655 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.206 -8.424 3.530 1.00 0.00 H new ATOM 499 N LEU A 37 8.199 -6.060 3.945 1.00 0.00 N ATOM 500 CA LEU A 37 7.184 -5.609 3.008 1.00 0.00 C ATOM 501 C LEU A 37 6.988 -4.100 3.163 1.00 0.00 C ATOM 502 O LEU A 37 7.116 -3.350 2.196 1.00 0.00 O ATOM 503 CB LEU A 37 5.897 -6.418 3.181 1.00 0.00 C ATOM 504 CG LEU A 37 5.969 -7.890 2.770 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.569 -8.486 2.618 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.807 -8.064 1.501 1.00 0.00 C ATOM 0 H LEU A 37 7.847 -6.302 4.871 1.00 0.00 H new ATOM 0 HA LEU A 37 7.507 -5.785 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.598 -6.368 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.109 -5.938 2.601 1.00 0.00 H new ATOM 0 HG LEU A 37 6.469 -8.443 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.649 -9.533 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.038 -8.414 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.021 -7.936 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.842 -9.119 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.357 -7.495 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.819 -7.701 1.681 1.00 0.00 H new ATOM 518 N ARG A 38 6.680 -3.698 4.388 1.00 0.00 N ATOM 519 CA ARG A 38 6.465 -2.292 4.683 1.00 0.00 C ATOM 520 C ARG A 38 7.440 -1.426 3.882 1.00 0.00 C ATOM 521 O ARG A 38 7.054 -0.797 2.898 1.00 0.00 O ATOM 522 CB ARG A 38 6.648 -2.007 6.175 1.00 0.00 C ATOM 523 CG ARG A 38 5.362 -2.301 6.950 1.00 0.00 C ATOM 524 CD ARG A 38 5.603 -3.357 8.031 1.00 0.00 C ATOM 525 NE ARG A 38 6.447 -2.794 9.109 1.00 0.00 N ATOM 526 CZ ARG A 38 5.967 -2.151 10.181 1.00 0.00 C ATOM 527 NH1 ARG A 38 4.645 -1.984 10.326 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.808 -1.674 11.109 1.00 0.00 N ATOM 0 H ARG A 38 6.574 -4.322 5.188 1.00 0.00 H new ATOM 0 HA ARG A 38 5.441 -2.048 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.462 -2.617 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.933 -0.965 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.992 -1.384 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.590 -2.648 6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.651 -3.693 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.089 -4.230 7.596 1.00 0.00 H new ATOM 0 HE ARG A 38 7.458 -2.903 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.005 -2.347 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.279 -1.494 11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.814 -1.801 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.442 -1.184 11.925 1.00 0.00 H new ATOM 542 N THR A 39 8.686 -1.423 4.334 1.00 0.00 N ATOM 543 CA THR A 39 9.719 -0.645 3.672 1.00 0.00 C ATOM 544 C THR A 39 9.547 -0.712 2.153 1.00 0.00 C ATOM 545 O THR A 39 9.441 0.318 1.490 1.00 0.00 O ATOM 546 CB THR A 39 11.078 -1.158 4.153 1.00 0.00 C ATOM 547 OG1 THR A 39 11.252 -0.539 5.425 1.00 0.00 O ATOM 548 CG2 THR A 39 12.238 -0.617 3.314 1.00 0.00 C ATOM 0 H THR A 39 9.003 -1.947 5.150 1.00 0.00 H new ATOM 0 HA THR A 39 9.644 0.412 3.929 1.00 0.00 H new ATOM 0 HB THR A 39 11.086 -2.248 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.109 -0.818 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.179 -1.011 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.111 -0.925 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.251 0.471 3.370 1.00 0.00 H new ATOM 556 N GLU A 40 9.525 -1.936 1.646 1.00 0.00 N ATOM 557 CA GLU A 40 9.368 -2.152 0.218 1.00 0.00 C ATOM 558 C GLU A 40 8.151 -1.386 -0.304 1.00 0.00 C ATOM 559 O GLU A 40 8.195 -0.806 -1.388 1.00 0.00 O ATOM 560 CB GLU A 40 9.256 -3.644 -0.102 1.00 0.00 C ATOM 561 CG GLU A 40 10.626 -4.238 -0.435 1.00 0.00 C ATOM 562 CD GLU A 40 11.603 -4.047 0.726 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.836 -2.873 1.085 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.095 -5.080 1.230 1.00 0.00 O ATOM 0 H GLU A 40 9.613 -2.788 2.199 1.00 0.00 H new ATOM 0 HA GLU A 40 10.256 -1.772 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.825 -4.171 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.578 -3.789 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.522 -5.300 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.024 -3.763 -1.332 1.00 0.00 H new ATOM 571 N LEU A 41 7.091 -1.409 0.492 1.00 0.00 N ATOM 572 CA LEU A 41 5.864 -0.724 0.124 1.00 0.00 C ATOM 573 C LEU A 41 6.054 0.784 0.302 1.00 0.00 C ATOM 574 O LEU A 41 5.904 1.549 -0.650 1.00 0.00 O ATOM 575 CB LEU A 41 4.678 -1.291 0.907 1.00 0.00 C ATOM 576 CG LEU A 41 3.813 -2.313 0.167 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.396 -3.722 0.297 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.360 -2.247 0.642 1.00 0.00 C ATOM 0 H LEU A 41 7.057 -1.891 1.390 1.00 0.00 H new ATOM 0 HA LEU A 41 5.633 -0.895 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.058 -1.757 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.042 -0.461 1.215 1.00 0.00 H new ATOM 0 HG LEU A 41 3.817 -2.060 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.762 -4.429 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.400 -3.741 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.442 -4.001 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.766 -2.983 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.316 -2.460 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.961 -1.250 0.454 1.00 0.00 H new ATOM 590 N MET A 42 6.380 1.166 1.528 1.00 0.00 N ATOM 591 CA MET A 42 6.592 2.569 1.843 1.00 0.00 C ATOM 592 C MET A 42 7.347 3.276 0.716 1.00 0.00 C ATOM 593 O MET A 42 7.024 4.409 0.362 1.00 0.00 O ATOM 594 CB MET A 42 7.388 2.686 3.144 1.00 0.00 C ATOM 595 CG MET A 42 6.646 2.017 4.303 1.00 0.00 C ATOM 596 SD MET A 42 4.971 2.626 4.389 1.00 0.00 S ATOM 597 CE MET A 42 4.125 1.139 4.897 1.00 0.00 C ATOM 0 H MET A 42 6.503 0.529 2.315 1.00 0.00 H new ATOM 0 HA MET A 42 5.619 3.047 1.958 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.367 2.223 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.560 3.737 3.376 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.642 0.936 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.163 2.218 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.140 1.396 5.287 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.014 0.473 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.704 0.638 5.673 1.00 0.00 H new ATOM 607 N GLN A 43 8.341 2.579 0.184 1.00 0.00 N ATOM 608 CA GLN A 43 9.145 3.125 -0.895 1.00 0.00 C ATOM 609 C GLN A 43 8.427 2.949 -2.234 1.00 0.00 C ATOM 610 O GLN A 43 8.218 3.918 -2.963 1.00 0.00 O ATOM 611 CB GLN A 43 10.531 2.479 -0.927 1.00 0.00 C ATOM 612 CG GLN A 43 11.210 2.567 0.441 1.00 0.00 C ATOM 613 CD GLN A 43 12.039 3.848 0.560 1.00 0.00 C ATOM 614 OE1 GLN A 43 13.103 3.985 -0.020 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.494 4.774 1.344 1.00 0.00 N ATOM 0 H GLN A 43 8.607 1.640 0.481 1.00 0.00 H new ATOM 0 HA GLN A 43 9.281 4.191 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.442 1.435 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.149 2.974 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.456 2.543 1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.852 1.699 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.599 4.594 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.971 5.664 1.489 1.00 0.00 H new ATOM 624 N THR A 44 8.068 1.706 -2.518 1.00 0.00 N ATOM 625 CA THR A 44 7.377 1.390 -3.757 1.00 0.00 C ATOM 626 C THR A 44 6.247 2.391 -4.007 1.00 0.00 C ATOM 627 O THR A 44 6.260 3.110 -5.006 1.00 0.00 O ATOM 628 CB THR A 44 6.896 -0.060 -3.674 1.00 0.00 C ATOM 629 OG1 THR A 44 8.085 -0.829 -3.834 1.00 0.00 O ATOM 630 CG2 THR A 44 6.030 -0.459 -4.871 1.00 0.00 C ATOM 0 H THR A 44 8.243 0.905 -1.911 1.00 0.00 H new ATOM 0 HA THR A 44 8.044 1.478 -4.615 1.00 0.00 H new ATOM 0 HB THR A 44 6.330 -0.203 -2.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.580 -0.846 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.715 -1.497 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.151 0.184 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.606 -0.349 -5.790 1.00 0.00 H new ATOM 638 N LEU A 45 5.297 2.406 -3.084 1.00 0.00 N ATOM 639 CA LEU A 45 4.163 3.307 -3.192 1.00 0.00 C ATOM 640 C LEU A 45 4.649 4.752 -3.062 1.00 0.00 C ATOM 641 O LEU A 45 4.279 5.610 -3.861 1.00 0.00 O ATOM 642 CB LEU A 45 3.080 2.929 -2.180 1.00 0.00 C ATOM 643 CG LEU A 45 2.738 1.441 -2.088 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.735 1.177 -0.962 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.242 0.908 -3.433 1.00 0.00 C ATOM 0 H LEU A 45 5.289 1.808 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 45 3.697 3.215 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.397 3.270 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.171 3.476 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 45 3.649 0.896 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.509 0.112 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.163 1.496 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.818 1.735 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.006 -0.152 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.348 1.454 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.019 1.042 -4.186 1.00 0.00 H new ATOM 657 N GLY A 46 5.473 4.975 -2.048 1.00 0.00 N ATOM 658 CA GLY A 46 6.015 6.301 -1.802 1.00 0.00 C ATOM 659 C GLY A 46 6.661 6.873 -3.066 1.00 0.00 C ATOM 660 O GLY A 46 6.725 8.089 -3.240 1.00 0.00 O ATOM 0 H GLY A 46 5.778 4.260 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.220 6.965 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.753 6.253 -1.002 1.00 0.00 H new ATOM 664 N SER A 47 7.122 5.968 -3.917 1.00 0.00 N ATOM 665 CA SER A 47 7.761 6.366 -5.160 1.00 0.00 C ATOM 666 C SER A 47 6.752 7.081 -6.061 1.00 0.00 C ATOM 667 O SER A 47 6.932 8.250 -6.397 1.00 0.00 O ATOM 668 CB SER A 47 8.358 5.158 -5.885 1.00 0.00 C ATOM 669 OG SER A 47 9.141 5.545 -7.011 1.00 0.00 O ATOM 0 H SER A 47 7.066 4.960 -3.770 1.00 0.00 H new ATOM 0 HA SER A 47 8.575 7.050 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.977 4.588 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.555 4.498 -6.212 1.00 0.00 H new ATOM 0 HG SER A 47 9.506 4.746 -7.446 1.00 0.00 H new ATOM 675 N TYR A 48 5.711 6.347 -6.427 1.00 0.00 N ATOM 676 CA TYR A 48 4.673 6.896 -7.283 1.00 0.00 C ATOM 677 C TYR A 48 4.380 8.354 -6.924 1.00 0.00 C ATOM 678 O TYR A 48 4.239 9.198 -7.807 1.00 0.00 O ATOM 679 CB TYR A 48 3.421 6.057 -7.019 1.00 0.00 C ATOM 680 CG TYR A 48 3.365 4.754 -7.818 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.950 3.609 -7.315 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.730 4.722 -9.043 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.897 2.383 -8.067 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.677 3.496 -9.795 1.00 0.00 C ATOM 685 CZ TYR A 48 3.263 2.386 -9.270 1.00 0.00 C ATOM 686 OH TYR A 48 3.214 1.228 -9.981 1.00 0.00 O ATOM 0 H TYR A 48 5.564 5.377 -6.146 1.00 0.00 H new ATOM 0 HA TYR A 48 4.983 6.868 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.371 5.822 -5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.540 6.654 -7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.448 3.633 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.273 5.617 -9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.351 1.481 -7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.183 3.458 -10.755 1.00 0.00 H new ATOM 0 HH TYR A 48 3.853 0.587 -9.606 1.00 0.00 H new ATOM 696 N GLY A 49 4.297 8.605 -5.626 1.00 0.00 N ATOM 697 CA GLY A 49 4.024 9.947 -5.139 1.00 0.00 C ATOM 698 C GLY A 49 5.049 10.366 -4.083 1.00 0.00 C ATOM 699 O GLY A 49 6.251 10.197 -4.279 1.00 0.00 O ATOM 0 H GLY A 49 4.414 7.902 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.045 10.651 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.021 9.986 -4.713 1.00 0.00 H new ATOM 703 N THR A 50 4.535 10.907 -2.988 1.00 0.00 N ATOM 704 CA THR A 50 5.391 11.352 -1.901 1.00 0.00 C ATOM 705 C THR A 50 4.749 11.029 -0.551 1.00 0.00 C ATOM 706 O THR A 50 3.663 11.516 -0.243 1.00 0.00 O ATOM 707 CB THR A 50 5.671 12.843 -2.100 1.00 0.00 C ATOM 708 OG1 THR A 50 7.047 12.892 -2.465 1.00 0.00 O ATOM 709 CG2 THR A 50 5.604 13.631 -0.790 1.00 0.00 C ATOM 0 H THR A 50 3.537 11.047 -2.830 1.00 0.00 H new ATOM 0 HA THR A 50 6.345 10.824 -1.906 1.00 0.00 H new ATOM 0 HB THR A 50 4.953 13.256 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.313 13.823 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.810 14.683 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.609 13.531 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.345 13.241 -0.092 1.00 0.00 H new ATOM 717 N ILE A 51 5.449 10.209 0.220 1.00 0.00 N ATOM 718 CA ILE A 51 4.961 9.815 1.531 1.00 0.00 C ATOM 719 C ILE A 51 4.829 11.056 2.415 1.00 0.00 C ATOM 720 O ILE A 51 5.808 11.510 3.005 1.00 0.00 O ATOM 721 CB ILE A 51 5.853 8.725 2.129 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.795 7.447 1.291 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.496 8.467 3.594 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.438 6.756 1.438 1.00 0.00 C ATOM 0 H ILE A 51 6.350 9.807 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 51 3.968 9.373 1.451 1.00 0.00 H new ATOM 0 HB ILE A 51 6.884 9.077 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.973 7.687 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.589 6.768 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.145 7.688 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.632 9.383 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.457 8.145 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.423 5.850 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.274 6.496 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.649 7.429 1.103 1.00 0.00 H new ATOM 736 N VAL A 52 3.610 11.571 2.479 1.00 0.00 N ATOM 737 CA VAL A 52 3.337 12.751 3.281 1.00 0.00 C ATOM 738 C VAL A 52 3.055 12.327 4.724 1.00 0.00 C ATOM 739 O VAL A 52 3.162 13.136 5.645 1.00 0.00 O ATOM 740 CB VAL A 52 2.192 13.553 2.660 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.521 14.449 3.702 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.682 14.374 1.465 1.00 0.00 C ATOM 0 H VAL A 52 2.800 11.192 1.988 1.00 0.00 H new ATOM 0 HA VAL A 52 4.205 13.410 3.299 1.00 0.00 H new ATOM 0 HB VAL A 52 1.447 12.845 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.711 15.008 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.119 13.833 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.254 15.145 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.848 14.935 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.456 15.068 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.091 13.705 0.707 1.00 0.00 H new ATOM 752 N LEU A 53 2.700 11.060 4.877 1.00 0.00 N ATOM 753 CA LEU A 53 2.403 10.519 6.192 1.00 0.00 C ATOM 754 C LEU A 53 1.885 9.086 6.044 1.00 0.00 C ATOM 755 O LEU A 53 1.314 8.732 5.014 1.00 0.00 O ATOM 756 CB LEU A 53 1.446 11.443 6.947 1.00 0.00 C ATOM 757 CG LEU A 53 1.924 11.928 8.318 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.141 13.164 8.765 1.00 0.00 C ATOM 759 CD2 LEU A 53 1.858 10.802 9.351 1.00 0.00 C ATOM 0 H LEU A 53 2.611 10.392 4.111 1.00 0.00 H new ATOM 0 HA LEU A 53 3.308 10.471 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.247 12.315 6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.497 10.922 7.078 1.00 0.00 H new ATOM 0 HG LEU A 53 2.970 12.224 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.500 13.488 9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.283 13.966 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.081 12.919 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.203 11.173 10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.830 10.453 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.494 9.977 9.031 1.00 0.00 H new ATOM 771 N VAL A 54 2.104 8.302 7.089 1.00 0.00 N ATOM 772 CA VAL A 54 1.667 6.916 7.089 1.00 0.00 C ATOM 773 C VAL A 54 1.111 6.561 8.469 1.00 0.00 C ATOM 774 O VAL A 54 1.569 7.088 9.482 1.00 0.00 O ATOM 775 CB VAL A 54 2.817 6.005 6.656 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.327 6.389 5.266 1.00 0.00 C ATOM 777 CG2 VAL A 54 3.952 6.029 7.682 1.00 0.00 C ATOM 0 H VAL A 54 2.578 8.600 7.942 1.00 0.00 H new ATOM 0 HA VAL A 54 0.864 6.769 6.367 1.00 0.00 H new ATOM 0 HB VAL A 54 2.435 4.986 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.144 5.726 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.517 6.296 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.684 7.419 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.757 5.373 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.331 7.046 7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.578 5.685 8.646 1.00 0.00 H new ATOM 787 N ARG A 55 0.130 5.670 8.466 1.00 0.00 N ATOM 788 CA ARG A 55 -0.494 5.238 9.705 1.00 0.00 C ATOM 789 C ARG A 55 -0.932 3.776 9.597 1.00 0.00 C ATOM 790 O ARG A 55 -1.890 3.461 8.894 1.00 0.00 O ATOM 791 CB ARG A 55 -1.710 6.104 10.040 1.00 0.00 C ATOM 792 CG ARG A 55 -1.996 6.089 11.543 1.00 0.00 C ATOM 793 CD ARG A 55 -3.484 5.863 11.815 1.00 0.00 C ATOM 794 NE ARG A 55 -3.758 5.987 13.265 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.875 5.546 13.858 1.00 0.00 C ATOM 796 NH1 ARG A 55 -5.830 4.948 13.132 1.00 0.00 N ATOM 797 NH2 ARG A 55 -5.038 5.702 15.179 1.00 0.00 N ATOM 0 H ARG A 55 -0.248 5.235 7.624 1.00 0.00 H new ATOM 0 HA ARG A 55 0.243 5.342 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.534 7.128 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.582 5.739 9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.412 5.302 12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.681 7.034 11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.078 6.590 11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.780 4.875 11.464 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.052 6.436 13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.707 4.828 12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.680 4.613 13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.312 6.156 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.889 5.366 15.631 1.00 0.00 H new ATOM 811 N ILE A 56 -0.208 2.921 10.306 1.00 0.00 N ATOM 812 CA ILE A 56 -0.510 1.500 10.299 1.00 0.00 C ATOM 813 C ILE A 56 -1.526 1.193 11.400 1.00 0.00 C ATOM 814 O ILE A 56 -1.416 1.708 12.512 1.00 0.00 O ATOM 815 CB ILE A 56 0.777 0.678 10.403 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.443 0.526 9.034 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.511 -0.675 11.065 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.589 -0.485 9.091 1.00 0.00 C ATOM 0 H ILE A 56 0.586 3.186 10.889 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.969 1.213 9.353 1.00 0.00 H new ATOM 0 HB ILE A 56 1.476 1.217 11.042 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.705 0.203 8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.822 1.492 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.442 -1.239 11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.115 -0.518 12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.213 -1.234 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.045 -0.574 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.337 -0.147 9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.203 -1.456 9.401 1.00 0.00 H new ATOM 830 N ASN A 57 -2.493 0.356 11.053 1.00 0.00 N ATOM 831 CA ASN A 57 -3.528 -0.025 11.999 1.00 0.00 C ATOM 832 C ASN A 57 -3.320 -1.482 12.417 1.00 0.00 C ATOM 833 O ASN A 57 -2.639 -2.238 11.726 1.00 0.00 O ATOM 834 CB ASN A 57 -4.918 0.093 11.371 1.00 0.00 C ATOM 835 CG ASN A 57 -5.807 1.039 12.180 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.623 1.241 13.369 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.780 1.605 11.472 1.00 0.00 N ATOM 0 H ASN A 57 -2.581 -0.069 10.130 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.462 0.643 12.858 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.829 0.458 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.382 -0.892 11.319 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.428 2.252 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.878 1.392 10.479 1.00 0.00 H new ATOM 844 N GLN A 58 -3.919 -1.832 13.546 1.00 0.00 N ATOM 845 CA GLN A 58 -3.807 -3.185 14.064 1.00 0.00 C ATOM 846 C GLN A 58 -3.464 -4.159 12.935 1.00 0.00 C ATOM 847 O GLN A 58 -2.511 -4.929 13.043 1.00 0.00 O ATOM 848 CB GLN A 58 -5.092 -3.605 14.780 1.00 0.00 C ATOM 849 CG GLN A 58 -5.122 -3.070 16.213 1.00 0.00 C ATOM 850 CD GLN A 58 -6.163 -3.813 17.054 1.00 0.00 C ATOM 851 OE1 GLN A 58 -7.276 -4.069 16.626 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.739 -4.142 18.271 1.00 0.00 N ATOM 0 H GLN A 58 -4.483 -1.202 14.116 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.999 -3.208 14.795 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.957 -3.232 14.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.167 -4.692 14.792 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.137 -3.180 16.667 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.351 -2.004 16.202 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.794 -3.897 18.565 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.359 -4.640 18.910 1.00 0.00 H new ATOM 861 N GLY A 59 -4.260 -4.093 11.878 1.00 0.00 N ATOM 862 CA GLY A 59 -4.052 -4.960 10.730 1.00 0.00 C ATOM 863 C GLY A 59 -4.324 -4.213 9.423 1.00 0.00 C ATOM 864 O GLY A 59 -4.973 -4.745 8.523 1.00 0.00 O ATOM 0 H GLY A 59 -5.050 -3.453 11.792 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.028 -5.334 10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.709 -5.827 10.801 1.00 0.00 H new ATOM 868 N GLN A 60 -3.815 -2.992 9.359 1.00 0.00 N ATOM 869 CA GLN A 60 -3.994 -2.167 8.177 1.00 0.00 C ATOM 870 C GLN A 60 -2.792 -1.239 7.989 1.00 0.00 C ATOM 871 O GLN A 60 -1.937 -1.140 8.868 1.00 0.00 O ATOM 872 CB GLN A 60 -5.296 -1.367 8.259 1.00 0.00 C ATOM 873 CG GLN A 60 -6.350 -1.935 7.306 1.00 0.00 C ATOM 874 CD GLN A 60 -7.743 -1.882 7.935 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.131 -2.733 8.720 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.472 -0.839 7.549 1.00 0.00 N ATOM 0 H GLN A 60 -3.278 -2.554 10.107 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.062 -2.822 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.676 -1.387 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.102 -0.323 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.346 -1.369 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.100 -2.966 7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.087 -0.164 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.417 -0.714 7.913 1.00 0.00 H new ATOM 885 N MET A 61 -2.765 -0.584 6.838 1.00 0.00 N ATOM 886 CA MET A 61 -1.681 0.332 6.523 1.00 0.00 C ATOM 887 C MET A 61 -2.193 1.535 5.729 1.00 0.00 C ATOM 888 O MET A 61 -2.216 1.507 4.499 1.00 0.00 O ATOM 889 CB MET A 61 -0.613 -0.401 5.709 1.00 0.00 C ATOM 890 CG MET A 61 0.495 0.558 5.270 1.00 0.00 C ATOM 891 SD MET A 61 1.492 -0.202 3.999 1.00 0.00 S ATOM 892 CE MET A 61 2.405 -1.378 4.982 1.00 0.00 C ATOM 0 H MET A 61 -3.476 -0.669 6.112 1.00 0.00 H new ATOM 0 HA MET A 61 -1.253 0.694 7.458 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.186 -1.207 6.305 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.070 -0.860 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.059 1.484 4.896 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.119 0.821 6.124 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.201 -1.815 4.380 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.839 -0.872 5.845 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.734 -2.166 5.323 1.00 0.00 H new ATOM 902 N LEU A 62 -2.591 2.563 6.464 1.00 0.00 N ATOM 903 CA LEU A 62 -3.102 3.773 5.843 1.00 0.00 C ATOM 904 C LEU A 62 -1.927 4.641 5.385 1.00 0.00 C ATOM 905 O LEU A 62 -1.295 5.314 6.197 1.00 0.00 O ATOM 906 CB LEU A 62 -4.067 4.494 6.787 1.00 0.00 C ATOM 907 CG LEU A 62 -5.476 3.905 6.883 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.635 3.069 8.154 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.537 5.003 6.782 1.00 0.00 C ATOM 0 H LEU A 62 -2.570 2.583 7.484 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.685 3.528 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.629 4.502 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.150 5.533 6.466 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.625 3.235 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.645 2.662 8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.914 2.251 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.459 3.697 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.529 4.558 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.401 5.717 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.438 5.518 5.826 1.00 0.00 H new ATOM 921 N VAL A 63 -1.671 4.596 4.085 1.00 0.00 N ATOM 922 CA VAL A 63 -0.584 5.369 3.510 1.00 0.00 C ATOM 923 C VAL A 63 -1.145 6.658 2.907 1.00 0.00 C ATOM 924 O VAL A 63 -2.109 6.623 2.144 1.00 0.00 O ATOM 925 CB VAL A 63 0.182 4.518 2.495 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.173 5.372 1.701 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.893 3.351 3.183 1.00 0.00 C ATOM 0 H VAL A 63 -2.198 4.036 3.415 1.00 0.00 H new ATOM 0 HA VAL A 63 0.132 5.655 4.281 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.541 4.103 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.704 4.743 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.633 6.153 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.889 5.829 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.430 2.762 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.599 3.737 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.158 2.721 3.683 1.00 0.00 H new ATOM 937 N THR A 64 -0.517 7.766 3.271 1.00 0.00 N ATOM 938 CA THR A 64 -0.941 9.065 2.776 1.00 0.00 C ATOM 939 C THR A 64 0.106 9.638 1.819 1.00 0.00 C ATOM 940 O THR A 64 1.296 9.357 1.953 1.00 0.00 O ATOM 941 CB THR A 64 -1.218 9.964 3.982 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.239 9.276 4.700 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.869 11.290 3.586 1.00 0.00 C ATOM 0 H THR A 64 0.283 7.791 3.903 1.00 0.00 H new ATOM 0 HA THR A 64 -1.859 8.986 2.194 1.00 0.00 H new ATOM 0 HB THR A 64 -0.285 10.162 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.114 9.503 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.044 11.890 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.209 11.831 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.819 11.095 3.088 1.00 0.00 H new ATOM 951 N PHE A 65 -0.375 10.432 0.873 1.00 0.00 N ATOM 952 CA PHE A 65 0.505 11.047 -0.106 1.00 0.00 C ATOM 953 C PHE A 65 0.246 12.552 -0.207 1.00 0.00 C ATOM 954 O PHE A 65 -0.625 13.083 0.481 1.00 0.00 O ATOM 955 CB PHE A 65 0.195 10.397 -1.456 1.00 0.00 C ATOM 956 CG PHE A 65 0.510 8.901 -1.513 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.795 8.471 -1.402 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.497 8.001 -1.675 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.087 7.083 -1.454 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.205 6.612 -1.727 1.00 0.00 C ATOM 961 CZ PHE A 65 1.080 6.182 -1.616 1.00 0.00 C ATOM 0 H PHE A 65 -1.362 10.663 0.764 1.00 0.00 H new ATOM 0 HA PHE A 65 1.545 10.903 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.860 10.545 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.764 10.908 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.594 9.186 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.518 8.342 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.108 6.742 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.004 5.897 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.302 5.126 -1.656 1.00 0.00 H new ATOM 971 N ALA A 66 1.017 13.196 -1.070 1.00 0.00 N ATOM 972 CA ALA A 66 0.882 14.629 -1.270 1.00 0.00 C ATOM 973 C ALA A 66 -0.213 14.895 -2.305 1.00 0.00 C ATOM 974 O ALA A 66 -1.049 15.777 -2.117 1.00 0.00 O ATOM 975 CB ALA A 66 2.232 15.217 -1.685 1.00 0.00 C ATOM 0 H ALA A 66 1.738 12.752 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 66 0.585 15.119 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.130 16.292 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.967 15.028 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.562 14.751 -2.613 1.00 0.00 H new ATOM 981 N ASP A 67 -0.171 14.115 -3.376 1.00 0.00 N ATOM 982 CA ASP A 67 -1.149 14.255 -4.442 1.00 0.00 C ATOM 983 C ASP A 67 -2.277 13.244 -4.229 1.00 0.00 C ATOM 984 O ASP A 67 -2.064 12.187 -3.637 1.00 0.00 O ATOM 985 CB ASP A 67 -0.518 13.979 -5.808 1.00 0.00 C ATOM 986 CG ASP A 67 0.733 14.802 -6.121 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.750 14.574 -5.429 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.645 15.640 -7.044 1.00 0.00 O ATOM 0 H ASP A 67 0.525 13.385 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.528 15.277 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.262 12.921 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.263 14.170 -6.581 1.00 0.00 H new ATOM 993 N SER A 68 -3.452 13.604 -4.723 1.00 0.00 N ATOM 994 CA SER A 68 -4.614 12.741 -4.594 1.00 0.00 C ATOM 995 C SER A 68 -4.659 11.747 -5.756 1.00 0.00 C ATOM 996 O SER A 68 -5.242 10.671 -5.634 1.00 0.00 O ATOM 997 CB SER A 68 -5.906 13.560 -4.546 1.00 0.00 C ATOM 998 OG SER A 68 -6.151 14.244 -5.772 1.00 0.00 O ATOM 0 H SER A 68 -3.625 14.482 -5.213 1.00 0.00 H new ATOM 0 HA SER A 68 -4.529 12.191 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.745 12.900 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.846 14.284 -3.733 1.00 0.00 H new ATOM 0 HG SER A 68 -6.985 14.754 -5.701 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.036 12.143 -6.856 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.998 11.300 -8.039 1.00 0.00 C ATOM 1006 C HIS A 69 -2.962 10.191 -7.845 1.00 0.00 C ATOM 1007 O HIS A 69 -3.183 9.052 -8.253 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.743 12.137 -9.294 1.00 0.00 C ATOM 1009 CG HIS A 69 -2.661 13.178 -9.129 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -1.324 12.853 -8.982 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -2.733 14.539 -9.091 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -0.632 13.976 -8.860 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -1.507 15.020 -8.928 1.00 0.00 N ATOM 0 H HIS A 69 -3.553 13.036 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.968 10.823 -8.182 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.471 11.471 -10.113 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.670 12.634 -9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.635 15.126 -9.179 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.437 14.052 -8.730 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.260 16.008 -8.864 1.00 0.00 H new ATOM 1021 N SER A 70 -1.853 10.563 -7.222 1.00 0.00 N ATOM 1022 CA SER A 70 -0.783 9.614 -6.969 1.00 0.00 C ATOM 1023 C SER A 70 -1.364 8.291 -6.465 1.00 0.00 C ATOM 1024 O SER A 70 -0.895 7.219 -6.844 1.00 0.00 O ATOM 1025 CB SER A 70 0.221 10.172 -5.958 1.00 0.00 C ATOM 1026 OG SER A 70 0.994 11.237 -6.505 1.00 0.00 O ATOM 0 H SER A 70 -1.673 11.509 -6.885 1.00 0.00 H new ATOM 0 HA SER A 70 -0.254 9.438 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.312 10.527 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.886 9.373 -5.629 1.00 0.00 H new ATOM 0 HG SER A 70 1.621 11.567 -5.828 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.376 8.411 -5.618 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.026 7.238 -5.059 1.00 0.00 C ATOM 1034 C ALA A 71 -3.785 6.504 -6.166 1.00 0.00 C ATOM 1035 O ALA A 71 -3.586 5.308 -6.372 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.940 7.662 -3.907 1.00 0.00 C ATOM 0 H ALA A 71 -2.761 9.302 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.288 6.547 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.428 6.782 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.348 8.152 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.696 8.354 -4.278 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.639 7.251 -6.850 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.429 6.686 -7.931 1.00 0.00 C ATOM 1044 C LEU A 72 -4.530 5.820 -8.815 1.00 0.00 C ATOM 1045 O LEU A 72 -4.912 4.718 -9.204 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.162 7.792 -8.694 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.599 8.140 -10.073 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.041 7.115 -11.120 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -5.976 9.568 -10.474 1.00 0.00 C ATOM 0 H LEU A 72 -4.801 8.243 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.208 6.035 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.204 7.495 -8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.155 8.694 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.511 8.097 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.627 7.386 -12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.682 6.126 -10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.129 7.102 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.564 9.790 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.061 9.663 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.572 10.270 -9.744 1.00 0.00 H new ATOM 1061 N SER A 73 -3.352 6.352 -9.107 1.00 0.00 N ATOM 1062 CA SER A 73 -2.395 5.642 -9.938 1.00 0.00 C ATOM 1063 C SER A 73 -2.023 4.309 -9.286 1.00 0.00 C ATOM 1064 O SER A 73 -1.829 3.309 -9.976 1.00 0.00 O ATOM 1065 CB SER A 73 -1.140 6.485 -10.176 1.00 0.00 C ATOM 1066 OG SER A 73 -0.996 6.852 -11.545 1.00 0.00 O ATOM 0 H SER A 73 -3.039 7.267 -8.783 1.00 0.00 H new ATOM 0 HA SER A 73 -2.859 5.449 -10.905 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.186 7.385 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.261 5.925 -9.856 1.00 0.00 H new ATOM 0 HG SER A 73 -0.185 7.390 -11.656 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.936 4.337 -7.964 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.591 3.143 -7.211 1.00 0.00 C ATOM 1074 C VAL A 74 -2.819 2.236 -7.112 1.00 0.00 C ATOM 1075 O VAL A 74 -2.691 1.013 -7.089 1.00 0.00 O ATOM 1076 CB VAL A 74 -1.023 3.532 -5.845 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.686 2.290 -5.018 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.201 4.438 -5.997 1.00 0.00 C ATOM 0 H VAL A 74 -2.098 5.168 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.811 2.580 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.790 4.093 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.284 2.594 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.589 1.698 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.055 1.691 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.585 4.700 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.974 3.914 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.082 5.346 -6.529 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.981 2.870 -7.056 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.230 2.135 -6.960 1.00 0.00 C ATOM 1090 C LEU A 75 -5.276 1.070 -8.058 1.00 0.00 C ATOM 1091 O LEU A 75 -5.836 -0.007 -7.859 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.421 3.096 -6.986 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.891 3.617 -5.627 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -5.821 4.497 -4.976 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -8.232 4.344 -5.753 1.00 0.00 C ATOM 0 H LEU A 75 -4.083 3.885 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.292 1.613 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.159 3.951 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.258 2.593 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.048 2.762 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.181 4.854 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.911 3.916 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.608 5.349 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.544 4.705 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.125 5.189 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.983 3.657 -6.143 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.680 1.408 -9.191 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.645 0.494 -10.320 1.00 0.00 C ATOM 1109 C ASP A 76 -3.434 -0.431 -10.186 1.00 0.00 C ATOM 1110 O ASP A 76 -3.522 -1.621 -10.484 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.514 1.255 -11.641 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.337 0.686 -12.799 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -4.823 -0.243 -13.459 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.462 1.194 -12.999 1.00 0.00 O ATOM 0 H ASP A 76 -4.217 2.303 -9.352 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.575 -0.075 -10.321 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.812 2.291 -11.478 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.464 1.268 -11.933 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.333 0.151 -9.736 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.105 -0.607 -9.558 1.00 0.00 C ATOM 1121 C VAL A 77 -1.346 -1.728 -8.545 1.00 0.00 C ATOM 1122 O VAL A 77 -0.550 -2.661 -8.446 1.00 0.00 O ATOM 1123 CB VAL A 77 0.034 0.331 -9.152 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.368 -0.416 -9.105 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.113 1.536 -10.090 1.00 0.00 C ATOM 0 H VAL A 77 -2.265 1.138 -9.489 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.805 -1.075 -10.496 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.178 0.701 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.161 0.273 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.306 -1.226 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.589 -0.828 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.931 2.186 -9.779 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.290 1.193 -11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.825 2.089 -10.051 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.447 -1.601 -7.819 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.802 -2.592 -6.818 1.00 0.00 C ATOM 1137 C ASP A 78 -2.455 -3.987 -7.343 1.00 0.00 C ATOM 1138 O ASP A 78 -1.753 -4.748 -6.679 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.301 -2.559 -6.518 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.757 -1.402 -5.626 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.111 -0.335 -5.708 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.741 -1.611 -4.884 1.00 0.00 O ATOM 0 H ASP A 78 -3.105 -0.826 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.247 -2.366 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.844 -2.506 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.582 -3.498 -6.041 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.965 -4.281 -8.530 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.718 -5.571 -9.152 1.00 0.00 C ATOM 1149 C GLY A 79 -1.296 -6.056 -8.864 1.00 0.00 C ATOM 1150 O GLY A 79 -1.083 -7.233 -8.580 1.00 0.00 O ATOM 0 H GLY A 79 -3.548 -3.648 -9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.437 -6.301 -8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.869 -5.494 -10.229 1.00 0.00 H new ATOM 1154 N MET A 80 -0.359 -5.122 -8.947 1.00 0.00 N ATOM 1155 CA MET A 80 1.037 -5.439 -8.700 1.00 0.00 C ATOM 1156 C MET A 80 1.180 -6.402 -7.519 1.00 0.00 C ATOM 1157 O MET A 80 0.272 -6.521 -6.697 1.00 0.00 O ATOM 1158 CB MET A 80 1.809 -4.151 -8.405 1.00 0.00 C ATOM 1159 CG MET A 80 1.607 -3.711 -6.953 1.00 0.00 C ATOM 1160 SD MET A 80 2.532 -2.219 -6.633 1.00 0.00 S ATOM 1161 CE MET A 80 1.577 -1.545 -5.284 1.00 0.00 C ATOM 0 H MET A 80 -0.540 -4.146 -9.182 1.00 0.00 H new ATOM 0 HA MET A 80 1.443 -5.921 -9.589 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.871 -4.307 -8.597 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.476 -3.361 -9.078 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.548 -3.540 -6.760 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.931 -4.502 -6.276 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.508 -0.463 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.576 -1.976 -5.296 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.064 -1.784 -4.338 1.00 0.00 H new ATOM 1171 N LYS A 81 2.326 -7.064 -7.472 1.00 0.00 N ATOM 1172 CA LYS A 81 2.600 -8.012 -6.405 1.00 0.00 C ATOM 1173 C LYS A 81 3.917 -7.640 -5.723 1.00 0.00 C ATOM 1174 O LYS A 81 4.912 -7.368 -6.393 1.00 0.00 O ATOM 1175 CB LYS A 81 2.568 -9.445 -6.941 1.00 0.00 C ATOM 1176 CG LYS A 81 1.189 -10.076 -6.737 1.00 0.00 C ATOM 1177 CD LYS A 81 0.866 -11.063 -7.861 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.628 -11.046 -8.193 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.922 -11.976 -9.305 1.00 0.00 N ATOM 0 H LYS A 81 3.076 -6.963 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 81 1.822 -7.963 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.819 -9.446 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.325 -10.044 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.159 -10.591 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.429 -9.295 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.443 -10.809 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.165 -12.068 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.205 -11.328 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.935 -10.036 -8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.940 -11.952 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.385 -11.689 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.648 -12.941 -9.032 1.00 0.00 H new ATOM 1193 N VAL A 82 3.882 -7.640 -4.398 1.00 0.00 N ATOM 1194 CA VAL A 82 5.061 -7.306 -3.618 1.00 0.00 C ATOM 1195 C VAL A 82 5.594 -8.570 -2.940 1.00 0.00 C ATOM 1196 O VAL A 82 4.883 -9.212 -2.169 1.00 0.00 O ATOM 1197 CB VAL A 82 4.732 -6.188 -2.626 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.914 -5.920 -1.691 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.310 -4.912 -3.357 1.00 0.00 C ATOM 0 H VAL A 82 3.055 -7.866 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 82 5.852 -6.926 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 82 3.891 -6.518 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.654 -5.121 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.148 -6.826 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.782 -5.622 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.082 -4.134 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.122 -4.578 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.425 -5.114 -3.961 1.00 0.00 H new ATOM 1209 N LYS A 83 6.841 -8.889 -3.253 1.00 0.00 N ATOM 1210 CA LYS A 83 7.477 -10.065 -2.684 1.00 0.00 C ATOM 1211 C LYS A 83 6.657 -11.306 -3.040 1.00 0.00 C ATOM 1212 O LYS A 83 6.527 -12.222 -2.229 1.00 0.00 O ATOM 1213 CB LYS A 83 7.695 -9.881 -1.180 1.00 0.00 C ATOM 1214 CG LYS A 83 9.098 -10.332 -0.770 1.00 0.00 C ATOM 1215 CD LYS A 83 9.815 -9.239 0.025 1.00 0.00 C ATOM 1216 CE LYS A 83 10.505 -9.823 1.260 1.00 0.00 C ATOM 1217 NZ LYS A 83 9.502 -10.333 2.222 1.00 0.00 N ATOM 0 H LYS A 83 7.428 -8.354 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 83 8.470 -10.206 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.554 -8.833 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.949 -10.453 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.031 -11.239 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.678 -10.580 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.552 -8.747 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.098 -8.477 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.175 -10.630 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.119 -9.059 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.933 -10.408 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.695 -9.679 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.173 -11.271 1.916 1.00 0.00 H new ATOM 1231 N GLY A 84 6.124 -11.296 -4.253 1.00 0.00 N ATOM 1232 CA GLY A 84 5.320 -12.410 -4.726 1.00 0.00 C ATOM 1233 C GLY A 84 3.977 -12.466 -3.994 1.00 0.00 C ATOM 1234 O GLY A 84 3.214 -13.417 -4.162 1.00 0.00 O ATOM 0 H GLY A 84 6.233 -10.534 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.150 -12.311 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.861 -13.344 -4.574 1.00 0.00 H new ATOM 1238 N ARG A 85 3.729 -11.436 -3.199 1.00 0.00 N ATOM 1239 CA ARG A 85 2.492 -11.356 -2.441 1.00 0.00 C ATOM 1240 C ARG A 85 1.567 -10.297 -3.045 1.00 0.00 C ATOM 1241 O ARG A 85 1.973 -9.153 -3.241 1.00 0.00 O ATOM 1242 CB ARG A 85 2.764 -11.010 -0.976 1.00 0.00 C ATOM 1243 CG ARG A 85 2.683 -12.257 -0.094 1.00 0.00 C ATOM 1244 CD ARG A 85 1.251 -12.495 0.389 1.00 0.00 C ATOM 1245 NE ARG A 85 0.829 -13.875 0.062 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.349 -14.973 0.627 1.00 0.00 C ATOM 1247 NH1 ARG A 85 2.313 -14.860 1.551 1.00 0.00 N ATOM 1248 NH2 ARG A 85 0.904 -16.186 0.268 1.00 0.00 N ATOM 0 H ARG A 85 4.364 -10.649 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 85 2.011 -12.333 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.751 -10.558 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.041 -10.270 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.031 -13.125 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.346 -12.144 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.190 -12.333 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.576 -11.779 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 85 0.097 -13.998 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.651 -13.938 1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.708 -15.696 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.170 -16.272 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.300 -17.022 0.698 1.00 0.00 H new ATOM 1262 N ALA A 86 0.342 -10.717 -3.323 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.644 -9.819 -3.900 1.00 0.00 C ATOM 1264 C ALA A 86 -0.990 -8.728 -2.885 1.00 0.00 C ATOM 1265 O ALA A 86 -1.370 -9.025 -1.753 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.872 -10.620 -4.336 1.00 0.00 C ATOM 0 H ALA A 86 0.009 -11.667 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.243 -9.329 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.611 -9.946 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.578 -11.361 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.303 -11.124 -3.471 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.846 -7.486 -3.326 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.139 -6.349 -2.470 1.00 0.00 C ATOM 1274 C VAL A 87 -2.483 -5.743 -2.877 1.00 0.00 C ATOM 1275 O VAL A 87 -2.955 -5.962 -3.991 1.00 0.00 O ATOM 1276 CB VAL A 87 0.012 -5.343 -2.524 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.561 -5.214 -3.947 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.423 -3.982 -1.979 1.00 0.00 C ATOM 0 H VAL A 87 -0.530 -7.243 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.227 -6.666 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 87 0.814 -5.717 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.378 -4.493 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.928 -6.183 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.232 -4.874 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.414 -3.286 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.250 -3.598 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.743 -4.091 -0.943 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.062 -4.992 -1.951 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.343 -4.352 -2.199 1.00 0.00 C ATOM 1290 C LYS A 88 -4.335 -2.951 -1.585 1.00 0.00 C ATOM 1291 O LYS A 88 -4.067 -2.792 -0.395 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.488 -5.236 -1.702 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.837 -4.721 -2.208 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.290 -5.497 -3.447 1.00 0.00 C ATOM 1295 CE LYS A 88 -7.373 -4.580 -4.668 1.00 0.00 C ATOM 1296 NZ LYS A 88 -8.212 -5.193 -5.722 1.00 0.00 N ATOM 0 H LYS A 88 -2.667 -4.812 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.508 -4.230 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.335 -6.260 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.489 -5.258 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.585 -4.816 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.759 -3.660 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.593 -6.311 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.264 -5.950 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.790 -3.616 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.372 -4.390 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.257 -4.557 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.798 -6.102 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.172 -5.351 -5.354 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.633 -1.970 -2.425 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.664 -0.588 -1.979 1.00 0.00 C ATOM 1312 C ILE A 89 -6.036 0.013 -2.291 1.00 0.00 C ATOM 1313 O ILE A 89 -6.386 0.200 -3.456 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.498 0.196 -2.584 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.179 -0.558 -2.404 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.432 1.612 -2.008 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.755 -1.239 -3.707 1.00 0.00 C ATOM 0 H ILE A 89 -4.855 -2.105 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.529 -0.533 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.670 0.292 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.401 0.134 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.287 -1.305 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.594 2.148 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.360 2.139 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.295 1.559 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.815 -1.768 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.524 -1.948 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.624 -0.487 -4.485 1.00 0.00 H new ATOM 1329 N SER A 90 -6.777 0.300 -1.230 1.00 0.00 N ATOM 1330 CA SER A 90 -8.103 0.876 -1.376 1.00 0.00 C ATOM 1331 C SER A 90 -8.140 2.269 -0.747 1.00 0.00 C ATOM 1332 O SER A 90 -7.205 2.666 -0.053 1.00 0.00 O ATOM 1333 CB SER A 90 -9.166 -0.022 -0.741 1.00 0.00 C ATOM 1334 OG SER A 90 -10.449 0.171 -1.330 1.00 0.00 O ATOM 0 H SER A 90 -6.484 0.144 -0.266 1.00 0.00 H new ATOM 0 HA SER A 90 -8.325 0.959 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.871 -1.066 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.223 0.184 0.328 1.00 0.00 H new ATOM 0 HG SER A 90 -11.100 -0.421 -0.898 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.230 2.975 -1.011 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.401 4.316 -0.479 1.00 0.00 C ATOM 1342 C GLY A 91 -10.389 4.320 0.689 1.00 0.00 C ATOM 1343 O GLY A 91 -11.565 4.003 0.513 1.00 0.00 O ATOM 0 H GLY A 91 -10.004 2.643 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.438 4.705 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.759 4.980 -1.265 1.00 0.00 H new ATOM 1347 N PRO A 92 -9.863 4.693 1.886 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.685 4.743 3.082 1.00 0.00 C ATOM 1349 C PRO A 92 -11.603 5.967 3.066 1.00 0.00 C ATOM 1350 O PRO A 92 -11.457 6.868 3.891 1.00 0.00 O ATOM 1351 CB PRO A 92 -9.698 4.756 4.238 1.00 0.00 C ATOM 1352 CG PRO A 92 -8.365 5.181 3.643 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.475 5.075 2.131 1.00 0.00 C ATOM 0 HA PRO A 92 -11.361 3.892 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.017 5.449 5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.624 3.771 4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.124 6.202 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.561 4.544 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.234 6.023 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.784 4.331 1.735 1.00 0.00 H new ATOM 1361 N SER A 93 -12.529 5.960 2.118 1.00 0.00 N ATOM 1362 CA SER A 93 -13.470 7.059 1.984 1.00 0.00 C ATOM 1363 C SER A 93 -14.899 6.551 2.185 1.00 0.00 C ATOM 1364 O SER A 93 -15.602 6.265 1.217 1.00 0.00 O ATOM 1365 CB SER A 93 -13.335 7.736 0.619 1.00 0.00 C ATOM 1366 OG SER A 93 -13.464 9.152 0.710 1.00 0.00 O ATOM 0 H SER A 93 -12.648 5.211 1.436 1.00 0.00 H new ATOM 0 HA SER A 93 -13.243 7.800 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.366 7.487 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.096 7.345 -0.056 1.00 0.00 H new ATOM 0 HG SER A 93 -13.370 9.547 -0.182 1.00 0.00 H new ATOM 1372 N SER A 94 -15.287 6.454 3.448 1.00 0.00 N ATOM 1373 CA SER A 94 -16.619 5.986 3.789 1.00 0.00 C ATOM 1374 C SER A 94 -17.650 7.074 3.484 1.00 0.00 C ATOM 1375 O SER A 94 -17.957 7.901 4.341 1.00 0.00 O ATOM 1376 CB SER A 94 -16.700 5.575 5.261 1.00 0.00 C ATOM 1377 OG SER A 94 -17.993 5.090 5.610 1.00 0.00 O ATOM 0 H SER A 94 -14.701 6.692 4.248 1.00 0.00 H new ATOM 0 HA SER A 94 -16.837 5.107 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.957 4.804 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.452 6.430 5.890 1.00 0.00 H new ATOM 0 HG SER A 94 -18.003 4.837 6.557 1.00 0.00 H new ATOM 1383 N GLY A 95 -18.157 7.039 2.260 1.00 0.00 N ATOM 1384 CA GLY A 95 -19.147 8.012 1.832 1.00 0.00 C ATOM 1385 C GLY A 95 -20.530 7.369 1.708 1.00 0.00 C ATOM 1386 O GLY A 95 -21.547 8.054 1.798 1.00 0.00 O ATOM 0 H GLY A 95 -17.900 6.352 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.187 8.834 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.853 8.438 0.873 1.00 0.00 H new TER 1390 GLY A 95