USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 8 HIS : no HE2:sc= -0.164 K(o=-1.1,f=-3) USER MOD Set 1.2: A 37 THR OG1 : rot 170:sc= -0.907 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 141:sc= 0.395 (180deg=-0.211) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0.91 USER MOD Set 3.1: A 19 HIS : no HD1:sc= -0.586 X(o=0.061,f=0.35) USER MOD Set 3.2: A 21 THR OG1 : rot -69:sc= 0.647 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -0.0738 K(o=0.25,f=-1.8!) USER MOD Set 4.2: A 76 SER OG : rot 4:sc= 0.323 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.3) USER MOD Single : A 5 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.031) USER MOD Single : A 6 HIS : no HD1:sc= -0.0315 X(o=-0.032,f=-0.013) USER MOD Single : A 7 SER OG : rot -54:sc=0.000366 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -110:sc= -0.962 USER MOD Single : A 20 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.037 (180deg=-0.194) USER MOD Single : A 23 ASN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -110:sc= -0.25 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 HIS : no HE2:sc= 0.166 K(o=0.17,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.201 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 99:sc= 0.368 USER MOD Single : A 74 GLN : amide:sc= -0.0971 K(o=-0.097,f=-0.73) USER MOD Single : A 77 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.5) USER MOD Single : A 78 ASN : amide:sc= -0.619 K(o=-0.62,f=-6.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -14.045 -17.650 7.651 1.00 75.00 N ATOM 2 CA HIS A 1 -13.277 -17.574 6.392 1.00 75.00 C ATOM 3 C HIS A 1 -11.777 -17.484 6.714 1.00 75.00 C ATOM 4 O HIS A 1 -11.336 -16.528 7.356 1.00 75.00 O ATOM 5 CB HIS A 1 -13.746 -16.364 5.524 1.00 75.00 C ATOM 6 CG HIS A 1 -15.194 -16.457 5.066 1.00 75.00 C ATOM 7 ND1 HIS A 1 -15.597 -17.162 3.944 1.00 75.00 N ATOM 8 CD2 HIS A 1 -16.338 -15.939 5.594 1.00 75.00 C ATOM 9 CE1 HIS A 1 -16.909 -17.073 3.813 1.00 75.00 C ATOM 10 NE2 HIS A 1 -17.380 -16.340 4.797 1.00 75.00 N ATOM 0 H1 HIS A 1 -15.061 -17.711 7.435 1.00 75.00 H new ATOM 0 H2 HIS A 1 -13.753 -18.493 8.185 1.00 75.00 H new ATOM 0 H3 HIS A 1 -13.863 -16.799 8.221 1.00 75.00 H new ATOM 0 HA HIS A 1 -13.457 -18.477 5.808 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -13.615 -15.446 6.097 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -13.102 -16.287 4.648 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -16.411 -15.324 6.479 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -17.496 -17.527 3.028 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -18.362 -16.107 4.944 1.00 75.00 H new ATOM 21 N HIS A 2 -11.001 -18.500 6.286 1.00 75.00 N ATOM 22 CA HIS A 2 -9.547 -18.597 6.542 1.00 75.00 C ATOM 23 C HIS A 2 -8.837 -19.048 5.247 1.00 75.00 C ATOM 24 O HIS A 2 -9.082 -20.159 4.755 1.00 75.00 O ATOM 25 CB HIS A 2 -9.249 -19.602 7.694 1.00 75.00 C ATOM 26 CG HIS A 2 -9.781 -19.193 9.056 1.00 75.00 C ATOM 27 ND1 HIS A 2 -9.189 -18.215 9.837 1.00 75.00 N ATOM 28 CD2 HIS A 2 -10.859 -19.624 9.770 1.00 75.00 C ATOM 29 CE1 HIS A 2 -9.879 -18.063 10.953 1.00 75.00 C ATOM 30 NE2 HIS A 2 -10.890 -18.902 10.937 1.00 75.00 N ATOM 0 H HIS A 2 -11.368 -19.285 5.748 1.00 75.00 H new ATOM 0 HA HIS A 2 -9.175 -17.619 6.847 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -9.674 -20.570 7.430 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -8.170 -19.737 7.768 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -11.559 -20.391 9.473 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -9.650 -17.366 11.746 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -11.587 -19.001 11.675 1.00 75.00 H new ATOM 39 N HIS A 3 -7.973 -18.175 4.695 1.00 75.00 N ATOM 40 CA HIS A 3 -7.250 -18.436 3.441 1.00 75.00 C ATOM 41 C HIS A 3 -5.888 -17.704 3.468 1.00 75.00 C ATOM 42 O HIS A 3 -5.739 -16.586 2.966 1.00 75.00 O ATOM 43 CB HIS A 3 -8.120 -18.046 2.201 1.00 75.00 C ATOM 44 CG HIS A 3 -8.708 -16.657 2.255 1.00 75.00 C ATOM 45 ND1 HIS A 3 -9.801 -16.339 3.036 1.00 75.00 N ATOM 46 CD2 HIS A 3 -8.338 -15.495 1.647 1.00 75.00 C ATOM 47 CE1 HIS A 3 -10.066 -15.051 2.918 1.00 75.00 C ATOM 48 NE2 HIS A 3 -9.197 -14.520 2.083 1.00 75.00 N ATOM 0 H HIS A 3 -7.758 -17.268 5.109 1.00 75.00 H new ATOM 0 HA HIS A 3 -7.052 -19.504 3.349 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -7.508 -18.132 1.303 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -8.932 -18.766 2.103 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -7.521 -15.366 0.952 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -10.862 -14.522 3.422 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -9.168 -13.539 1.805 1.00 75.00 H new ATOM 57 N HIS A 4 -4.906 -18.337 4.124 1.00 75.00 N ATOM 58 CA HIS A 4 -3.539 -17.791 4.282 1.00 75.00 C ATOM 59 C HIS A 4 -2.656 -18.222 3.100 1.00 75.00 C ATOM 60 O HIS A 4 -2.760 -19.359 2.627 1.00 75.00 O ATOM 61 CB HIS A 4 -2.922 -18.283 5.613 1.00 75.00 C ATOM 62 CG HIS A 4 -3.679 -17.860 6.854 1.00 75.00 C ATOM 63 ND1 HIS A 4 -3.209 -16.920 7.749 1.00 75.00 N ATOM 64 CD2 HIS A 4 -4.861 -18.285 7.362 1.00 75.00 C ATOM 65 CE1 HIS A 4 -4.066 -16.789 8.741 1.00 75.00 C ATOM 66 NE2 HIS A 4 -5.073 -17.606 8.532 1.00 75.00 N ATOM 0 H HIS A 4 -5.032 -19.248 4.565 1.00 75.00 H new ATOM 0 HA HIS A 4 -3.595 -16.703 4.299 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -2.865 -19.371 5.591 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -1.900 -17.912 5.683 1.00 75.00 H new ATOM 0 HD1 HIS A 4 -2.333 -16.406 7.657 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -5.516 -19.024 6.924 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.959 -16.122 9.584 1.00 75.00 H new ATOM 75 N HIS A 5 -1.789 -17.312 2.622 1.00 75.00 N ATOM 76 CA HIS A 5 -0.938 -17.540 1.427 1.00 75.00 C ATOM 77 C HIS A 5 0.495 -17.043 1.683 1.00 75.00 C ATOM 78 O HIS A 5 0.790 -16.513 2.763 1.00 75.00 O ATOM 79 CB HIS A 5 -1.568 -16.821 0.193 1.00 75.00 C ATOM 80 CG HIS A 5 -2.903 -17.404 -0.233 1.00 75.00 C ATOM 81 ND1 HIS A 5 -4.107 -17.023 0.328 1.00 75.00 N ATOM 82 CD2 HIS A 5 -3.217 -18.358 -1.149 1.00 75.00 C ATOM 83 CE1 HIS A 5 -5.087 -17.722 -0.205 1.00 75.00 C ATOM 84 NE2 HIS A 5 -4.579 -18.532 -1.103 1.00 75.00 N ATOM 0 H HIS A 5 -1.654 -16.396 3.049 1.00 75.00 H new ATOM 0 HA HIS A 5 -0.886 -18.609 1.221 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -1.700 -15.765 0.427 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.872 -16.878 -0.644 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -2.525 -18.881 -1.792 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -6.133 -17.642 0.053 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -5.111 -19.187 -1.676 1.00 75.00 H new ATOM 93 N HIS A 6 1.382 -17.249 0.684 1.00 75.00 N ATOM 94 CA HIS A 6 2.764 -16.727 0.706 1.00 75.00 C ATOM 95 C HIS A 6 2.711 -15.200 0.526 1.00 75.00 C ATOM 96 O HIS A 6 2.668 -14.692 -0.600 1.00 75.00 O ATOM 97 CB HIS A 6 3.635 -17.392 -0.400 1.00 75.00 C ATOM 98 CG HIS A 6 3.892 -18.865 -0.201 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.148 -19.426 -0.275 1.00 75.00 N ATOM 100 CD2 HIS A 6 3.048 -19.902 0.032 1.00 75.00 C ATOM 101 CE1 HIS A 6 5.064 -20.726 -0.102 1.00 75.00 C ATOM 102 NE2 HIS A 6 3.804 -21.036 0.085 1.00 75.00 N ATOM 0 H HIS A 6 1.159 -17.781 -0.158 1.00 75.00 H new ATOM 0 HA HIS A 6 3.230 -16.968 1.662 1.00 75.00 H new ATOM 0 HB2 HIS A 6 3.145 -17.250 -1.363 1.00 75.00 H new ATOM 0 HB3 HIS A 6 4.593 -16.874 -0.450 1.00 75.00 H new ATOM 0 HD2 HIS A 6 1.977 -19.841 0.153 1.00 75.00 H new ATOM 0 HE1 HIS A 6 5.891 -21.420 -0.112 1.00 75.00 H new ATOM 0 HE2 HIS A 6 3.445 -21.977 0.245 1.00 75.00 H new ATOM 111 N SER A 7 2.646 -14.491 1.655 1.00 75.00 N ATOM 112 CA SER A 7 2.433 -13.038 1.697 1.00 75.00 C ATOM 113 C SER A 7 3.619 -12.321 2.359 1.00 75.00 C ATOM 114 O SER A 7 4.552 -12.965 2.841 1.00 75.00 O ATOM 115 CB SER A 7 1.110 -12.753 2.446 1.00 75.00 C ATOM 116 OG SER A 7 0.003 -13.341 1.766 1.00 75.00 O ATOM 0 H SER A 7 2.741 -14.913 2.579 1.00 75.00 H new ATOM 0 HA SER A 7 2.362 -12.651 0.681 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.170 -13.147 3.460 1.00 75.00 H new ATOM 0 HB3 SER A 7 0.960 -11.677 2.531 1.00 75.00 H new ATOM 0 HG SER A 7 -0.002 -13.045 0.832 1.00 75.00 H new ATOM 122 N HIS A 8 3.589 -10.977 2.343 1.00 50.00 N ATOM 123 CA HIS A 8 4.582 -10.145 3.049 1.00 50.00 C ATOM 124 C HIS A 8 4.315 -10.200 4.562 1.00 50.00 C ATOM 125 O HIS A 8 3.206 -10.568 4.995 1.00 50.00 O ATOM 126 CB HIS A 8 4.548 -8.668 2.537 1.00 50.00 C ATOM 127 CG HIS A 8 4.929 -8.479 1.089 1.00 50.00 C ATOM 128 ND1 HIS A 8 4.966 -7.241 0.474 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.269 -9.371 0.133 1.00 75.00 C ATOM 130 CE1 HIS A 8 5.302 -7.386 -0.792 1.00 75.00 C ATOM 131 NE2 HIS A 8 5.490 -8.669 -1.017 1.00 75.00 N ATOM 0 H HIS A 8 2.881 -10.439 1.844 1.00 50.00 H new ATOM 0 HA HIS A 8 5.577 -10.540 2.845 1.00 50.00 H new ATOM 0 HB2 HIS A 8 3.543 -8.272 2.686 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.220 -8.071 3.153 1.00 50.00 H new ATOM 0 HD1 HIS A 8 4.764 -6.351 0.931 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.351 -10.441 0.256 1.00 75.00 H new ATOM 0 HE1 HIS A 8 5.405 -6.592 -1.517 1.00 75.00 H new ATOM 140 N MET A 9 5.349 -9.848 5.348 1.00 10.00 N ATOM 141 CA MET A 9 5.254 -9.718 6.811 1.00 10.00 C ATOM 142 C MET A 9 4.133 -8.718 7.173 1.00 10.00 C ATOM 143 O MET A 9 4.041 -7.643 6.563 1.00 50.00 O ATOM 144 CB MET A 9 6.630 -9.264 7.405 1.00 50.00 C ATOM 145 CG MET A 9 7.187 -7.941 6.836 1.00 50.00 C ATOM 146 SD MET A 9 8.758 -7.455 7.585 1.00 50.00 S ATOM 147 CE MET A 9 9.127 -5.936 6.701 1.00 75.00 C ATOM 0 H MET A 9 6.279 -9.645 4.982 1.00 10.00 H new ATOM 0 HA MET A 9 5.006 -10.686 7.245 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.525 -9.161 8.485 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.361 -10.053 7.230 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.321 -8.043 5.759 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.456 -7.148 6.993 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.070 -5.525 7.061 1.00 75.00 H new ATOM 0 HE2 MET A 9 9.206 -6.146 5.634 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.329 -5.213 6.870 1.00 75.00 H new ATOM 157 N VAL A 10 3.270 -9.096 8.139 1.00 10.00 N ATOM 158 CA VAL A 10 2.137 -8.260 8.562 1.00 10.00 C ATOM 159 C VAL A 10 2.649 -6.941 9.163 1.00 10.00 C ATOM 160 O VAL A 10 3.571 -6.943 9.987 1.00 50.00 O ATOM 161 CB VAL A 10 1.169 -9.012 9.561 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.565 -10.262 8.894 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.858 -9.379 10.902 1.00 50.00 C ATOM 0 H VAL A 10 3.341 -9.981 8.641 1.00 10.00 H new ATOM 0 HA VAL A 10 1.544 -8.035 7.675 1.00 10.00 H new ATOM 0 HB VAL A 10 0.364 -8.318 9.804 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.098 -10.765 9.598 1.00 50.00 H new ATOM 0 HG12 VAL A 10 -0.001 -9.966 8.011 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.366 -10.941 8.601 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.146 -9.893 11.548 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.709 -10.032 10.707 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.204 -8.470 11.394 1.00 50.00 H new ATOM 173 N GLY A 11 2.074 -5.819 8.700 1.00 10.00 N ATOM 174 CA GLY A 11 2.528 -4.494 9.115 1.00 10.00 C ATOM 175 C GLY A 11 3.584 -3.894 8.181 1.00 10.00 C ATOM 176 O GLY A 11 4.236 -2.911 8.556 1.00 50.00 O ATOM 0 H GLY A 11 1.296 -5.809 8.040 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.671 -3.822 9.162 1.00 10.00 H new ATOM 0 HA3 GLY A 11 2.939 -4.558 10.123 1.00 10.00 H new ATOM 180 N ASP A 12 3.785 -4.517 6.993 1.00 10.00 N ATOM 181 CA ASP A 12 4.802 -4.090 5.995 1.00 10.00 C ATOM 182 C ASP A 12 4.677 -2.574 5.674 1.00 10.00 C ATOM 183 O ASP A 12 3.698 -2.141 5.059 1.00 50.00 O ATOM 184 CB ASP A 12 4.642 -4.930 4.691 1.00 50.00 C ATOM 185 CG ASP A 12 5.754 -4.756 3.634 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.757 -4.050 3.880 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.602 -5.304 2.514 1.00 50.00 O ATOM 0 H ASP A 12 3.246 -5.331 6.698 1.00 10.00 H new ATOM 0 HA ASP A 12 5.791 -4.261 6.419 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.590 -5.984 4.965 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.688 -4.673 4.231 1.00 50.00 H new ATOM 192 N THR A 13 5.703 -1.798 6.063 1.00 10.00 N ATOM 193 CA THR A 13 5.687 -0.331 5.972 1.00 10.00 C ATOM 194 C THR A 13 5.831 0.119 4.511 1.00 10.00 C ATOM 195 O THR A 13 6.853 -0.138 3.866 1.00 50.00 O ATOM 196 CB THR A 13 6.820 0.278 6.845 1.00 50.00 C ATOM 197 OG1 THR A 13 6.606 -0.115 8.208 1.00 50.00 O ATOM 198 CG2 THR A 13 6.884 1.819 6.757 1.00 50.00 C ATOM 0 H THR A 13 6.569 -2.173 6.450 1.00 10.00 H new ATOM 0 HA THR A 13 4.730 0.029 6.349 1.00 10.00 H new ATOM 0 HB THR A 13 7.771 -0.099 6.468 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.336 0.666 8.735 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.694 2.186 7.387 1.00 50.00 H new ATOM 0 HG22 THR A 13 7.064 2.117 5.724 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.939 2.242 7.097 1.00 50.00 H new ATOM 206 N VAL A 14 4.775 0.770 4.001 1.00 10.00 N ATOM 207 CA VAL A 14 4.666 1.226 2.606 1.00 10.00 C ATOM 208 C VAL A 14 3.999 2.624 2.547 1.00 10.00 C ATOM 209 O VAL A 14 3.468 3.122 3.549 1.00 50.00 O ATOM 210 CB VAL A 14 3.822 0.218 1.725 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.494 -1.173 1.621 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.366 0.106 2.235 1.00 50.00 C ATOM 0 H VAL A 14 3.953 1.000 4.560 1.00 10.00 H new ATOM 0 HA VAL A 14 5.678 1.277 2.204 1.00 10.00 H new ATOM 0 HB VAL A 14 3.790 0.629 0.716 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.878 -1.830 1.007 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.479 -1.068 1.165 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.599 -1.602 2.618 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.814 -0.594 1.608 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.368 -0.252 3.264 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.889 1.085 2.192 1.00 50.00 H new ATOM 222 N TRP A 15 4.054 3.249 1.363 1.00 10.00 N ATOM 223 CA TRP A 15 3.296 4.466 1.040 1.00 10.00 C ATOM 224 C TRP A 15 2.254 4.114 -0.017 1.00 10.00 C ATOM 225 O TRP A 15 2.592 3.484 -1.023 1.00 50.00 O ATOM 226 CB TRP A 15 4.231 5.582 0.499 1.00 50.00 C ATOM 227 CG TRP A 15 5.199 6.150 1.514 1.00 50.00 C ATOM 228 CD1 TRP A 15 5.096 6.101 2.877 1.00 50.00 C ATOM 229 CD2 TRP A 15 6.400 6.892 1.236 1.00 50.00 C ATOM 230 NE1 TRP A 15 6.157 6.743 3.455 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.970 7.242 2.474 1.00 50.00 C ATOM 232 CE3 TRP A 15 7.047 7.289 0.064 1.00 50.00 C ATOM 233 CZ2 TRP A 15 8.153 7.971 2.572 1.00 50.00 C ATOM 234 CZ3 TRP A 15 8.219 8.015 0.164 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.762 8.350 1.410 1.00 50.00 C ATOM 0 H TRP A 15 4.634 2.919 0.592 1.00 10.00 H new ATOM 0 HA TRP A 15 2.817 4.841 1.945 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.800 5.183 -0.341 1.00 50.00 H new ATOM 0 HB3 TRP A 15 3.616 6.394 0.111 1.00 50.00 H new ATOM 0 HD1 TRP A 15 4.293 5.624 3.419 1.00 50.00 H new ATOM 0 HE1 TRP A 15 6.317 6.835 4.458 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.639 7.034 -0.903 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.574 8.227 3.533 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.725 8.330 -0.736 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.679 8.919 1.453 1.00 50.00 H new ATOM 246 N VAL A 16 0.992 4.513 0.206 1.00 10.00 N ATOM 247 CA VAL A 16 -0.098 4.269 -0.753 1.00 10.00 C ATOM 248 C VAL A 16 -0.535 5.608 -1.376 1.00 10.00 C ATOM 249 O VAL A 16 -0.988 6.529 -0.674 1.00 50.00 O ATOM 250 CB VAL A 16 -1.324 3.497 -0.117 1.00 50.00 C ATOM 251 CG1 VAL A 16 -2.508 3.399 -1.107 1.00 50.00 C ATOM 252 CG2 VAL A 16 -0.898 2.083 0.349 1.00 50.00 C ATOM 0 H VAL A 16 0.700 5.009 1.048 1.00 10.00 H new ATOM 0 HA VAL A 16 0.285 3.611 -1.533 1.00 10.00 H new ATOM 0 HB VAL A 16 -1.656 4.068 0.750 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.332 2.863 -0.637 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -2.837 4.401 -1.381 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.191 2.864 -2.002 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -1.756 1.569 0.783 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -0.528 1.515 -0.504 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -0.110 2.169 1.097 1.00 50.00 H new ATOM 262 N ARG A 17 -0.311 5.702 -2.690 1.00 10.00 N ATOM 263 CA ARG A 17 -0.686 6.830 -3.531 1.00 10.00 C ATOM 264 C ARG A 17 -2.102 6.636 -4.087 1.00 10.00 C ATOM 265 O ARG A 17 -2.377 5.630 -4.740 1.00 50.00 O ATOM 266 CB ARG A 17 0.351 6.938 -4.679 1.00 50.00 C ATOM 267 CG ARG A 17 0.110 8.100 -5.660 1.00 50.00 C ATOM 268 CD ARG A 17 1.231 8.246 -6.700 1.00 50.00 C ATOM 269 NE ARG A 17 2.516 8.607 -6.078 1.00 50.00 N ATOM 270 CZ ARG A 17 3.700 8.023 -6.317 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.816 7.005 -7.172 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.770 8.479 -5.700 1.00 75.00 N ATOM 0 H ARG A 17 0.156 4.961 -3.213 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.689 7.752 -2.949 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.344 7.049 -4.243 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.351 6.003 -5.239 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.838 7.944 -6.175 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.019 9.030 -5.099 1.00 50.00 H new ATOM 0 HD2 ARG A 17 1.343 7.310 -7.246 1.00 50.00 H new ATOM 0 HD3 ARG A 17 0.953 9.008 -7.428 1.00 50.00 H new ATOM 0 HE ARG A 17 2.505 9.372 -5.403 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.993 6.654 -7.661 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.728 6.578 -7.336 1.00 75.00 H new ATOM 0 HH21 ARG A 17 4.690 9.263 -5.053 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.679 8.048 -5.869 1.00 75.00 H new ATOM 286 N ARG A 18 -2.988 7.598 -3.820 1.00 10.00 N ATOM 287 CA ARG A 18 -4.356 7.628 -4.363 1.00 10.00 C ATOM 288 C ARG A 18 -4.510 8.927 -5.178 1.00 10.00 C ATOM 289 O ARG A 18 -3.873 9.942 -4.840 1.00 50.00 O ATOM 290 CB ARG A 18 -5.378 7.534 -3.201 1.00 50.00 C ATOM 291 CG ARG A 18 -6.844 7.303 -3.638 1.00 50.00 C ATOM 292 CD ARG A 18 -7.767 6.986 -2.443 1.00 50.00 C ATOM 293 NE ARG A 18 -7.284 5.823 -1.670 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.581 5.546 -0.383 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.382 6.340 0.330 1.00 75.00 N ATOM 296 NH2 ARG A 18 -7.049 4.466 0.179 1.00 75.00 N ATOM 0 H ARG A 18 -2.777 8.390 -3.213 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.546 6.779 -5.020 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -5.079 6.721 -2.539 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -5.329 8.454 -2.618 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -7.212 8.191 -4.153 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.883 6.481 -4.353 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.828 7.857 -1.790 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.776 6.788 -2.805 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.669 5.169 -2.154 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.783 7.175 -0.096 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -8.593 6.112 1.301 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -6.428 3.863 -0.361 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -7.261 4.240 1.151 1.00 75.00 H new ATOM 310 N HIS A 19 -5.343 8.893 -6.249 1.00 50.00 N ATOM 311 CA HIS A 19 -5.414 9.983 -7.243 1.00 50.00 C ATOM 312 C HIS A 19 -5.862 11.293 -6.591 1.00 50.00 C ATOM 313 O HIS A 19 -5.179 12.315 -6.732 1.00 75.00 O ATOM 314 CB HIS A 19 -6.328 9.606 -8.441 1.00 75.00 C ATOM 315 CG HIS A 19 -6.207 10.542 -9.625 1.00 75.00 C ATOM 316 ND1 HIS A 19 -7.284 10.986 -10.359 1.00 75.00 N ATOM 317 CD2 HIS A 19 -5.115 11.089 -10.212 1.00 75.00 C ATOM 318 CE1 HIS A 19 -6.861 11.758 -11.337 1.00 75.00 C ATOM 319 NE2 HIS A 19 -5.552 11.839 -11.269 1.00 75.00 N ATOM 0 H HIS A 19 -5.976 8.117 -6.443 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.409 10.133 -7.638 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -6.086 8.594 -8.765 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -7.365 9.594 -8.104 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -4.089 10.957 -9.902 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -7.486 12.244 -12.072 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -4.958 12.374 -11.902 1.00 75.00 H new ATOM 328 N GLN A 20 -7.007 11.239 -5.879 1.00 75.00 N ATOM 329 CA GLN A 20 -7.542 12.370 -5.073 1.00 75.00 C ATOM 330 C GLN A 20 -7.852 13.637 -5.917 1.00 75.00 C ATOM 331 O GLN A 20 -8.086 14.711 -5.351 1.00 75.00 O ATOM 332 CB GLN A 20 -6.567 12.720 -3.889 1.00 75.00 C ATOM 333 CG GLN A 20 -6.408 11.622 -2.814 1.00 75.00 C ATOM 334 CD GLN A 20 -7.713 11.245 -2.080 1.00 75.00 C ATOM 335 OE1 GLN A 20 -7.879 10.112 -1.650 1.00 75.00 O ATOM 336 NE2 GLN A 20 -8.650 12.182 -1.915 1.00 75.00 N ATOM 0 H GLN A 20 -7.595 10.406 -5.843 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.495 12.030 -4.667 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -5.584 12.943 -4.304 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -6.923 13.630 -3.405 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -6.001 10.727 -3.285 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -5.677 11.956 -2.078 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -8.500 13.123 -2.278 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -9.516 11.957 -1.426 1.00 75.00 H new ATOM 345 N THR A 21 -7.887 13.489 -7.258 1.00 75.00 N ATOM 346 CA THR A 21 -7.983 14.618 -8.218 1.00 75.00 C ATOM 347 C THR A 21 -8.762 14.186 -9.482 1.00 75.00 C ATOM 348 O THR A 21 -9.235 13.040 -9.579 1.00 75.00 O ATOM 349 CB THR A 21 -6.546 15.129 -8.632 1.00 75.00 C ATOM 350 OG1 THR A 21 -5.742 14.018 -9.054 1.00 75.00 O ATOM 351 CG2 THR A 21 -5.818 15.891 -7.499 1.00 75.00 C ATOM 0 H THR A 21 -7.849 12.577 -7.712 1.00 75.00 H new ATOM 0 HA THR A 21 -8.517 15.431 -7.726 1.00 75.00 H new ATOM 0 HB THR A 21 -6.688 15.836 -9.450 1.00 75.00 H new ATOM 0 HG1 THR A 21 -5.534 13.452 -8.281 1.00 75.00 H new ATOM 0 HG21 THR A 21 -4.838 16.214 -7.849 1.00 75.00 H new ATOM 0 HG22 THR A 21 -6.406 16.763 -7.211 1.00 75.00 H new ATOM 0 HG23 THR A 21 -5.697 15.234 -6.638 1.00 75.00 H new ATOM 359 N LYS A 22 -8.912 15.129 -10.438 1.00 75.00 N ATOM 360 CA LYS A 22 -9.511 14.871 -11.763 1.00 75.00 C ATOM 361 C LYS A 22 -8.419 14.891 -12.856 1.00 75.00 C ATOM 362 O LYS A 22 -8.267 13.922 -13.615 1.00 75.00 O ATOM 363 CB LYS A 22 -10.584 15.951 -12.087 1.00 75.00 C ATOM 364 CG LYS A 22 -11.741 16.029 -11.065 1.00 75.00 C ATOM 365 CD LYS A 22 -12.797 17.103 -11.434 1.00 75.00 C ATOM 366 CE LYS A 22 -13.984 17.134 -10.452 1.00 75.00 C ATOM 367 NZ LYS A 22 -14.678 15.818 -10.363 1.00 75.00 N ATOM 0 H LYS A 22 -8.618 16.097 -10.309 1.00 75.00 H new ATOM 0 HA LYS A 22 -9.982 13.888 -11.743 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -10.097 16.925 -12.141 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -11.000 15.748 -13.074 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -12.227 15.056 -10.998 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -11.334 16.250 -10.078 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -12.321 18.083 -11.452 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -13.169 16.910 -12.440 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -13.627 17.422 -9.463 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -14.695 17.897 -10.769 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -15.571 15.931 -9.843 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -14.878 15.465 -11.321 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -14.070 15.138 -9.863 1.00 75.00 H new ATOM 381 N ASN A 23 -7.636 15.999 -12.896 1.00 75.00 N ATOM 382 CA ASN A 23 -6.642 16.273 -13.970 1.00 75.00 C ATOM 383 C ASN A 23 -5.280 16.712 -13.383 1.00 50.00 C ATOM 384 O ASN A 23 -4.421 17.231 -14.108 1.00 50.00 O ATOM 385 CB ASN A 23 -7.188 17.361 -14.953 1.00 50.00 C ATOM 386 CG ASN A 23 -8.468 16.969 -15.718 1.00 75.00 C ATOM 387 OD1 ASN A 23 -9.340 17.809 -15.962 1.00 75.00 O ATOM 388 ND2 ASN A 23 -8.584 15.706 -16.123 1.00 75.00 N ATOM 0 H ASN A 23 -7.675 16.729 -12.185 1.00 75.00 H new ATOM 0 HA ASN A 23 -6.483 15.346 -14.521 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -7.386 18.272 -14.388 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -6.409 17.598 -15.677 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -9.408 15.412 -16.648 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -7.849 15.032 -15.908 1.00 75.00 H new ATOM 395 N LEU A 24 -5.069 16.482 -12.077 1.00 10.00 N ATOM 396 CA LEU A 24 -3.770 16.732 -11.412 1.00 50.00 C ATOM 397 C LEU A 24 -3.132 15.398 -10.980 1.00 50.00 C ATOM 398 O LEU A 24 -3.707 14.319 -11.201 1.00 50.00 O ATOM 399 CB LEU A 24 -3.942 17.702 -10.206 1.00 50.00 C ATOM 400 CG LEU A 24 -4.434 19.151 -10.535 1.00 75.00 C ATOM 401 CD1 LEU A 24 -4.565 20.004 -9.253 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.523 19.837 -11.574 1.00 75.00 C ATOM 0 H LEU A 24 -5.788 16.119 -11.451 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.098 17.215 -12.122 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.647 17.254 -9.506 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.985 17.776 -9.690 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.426 19.065 -10.978 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -4.909 21.005 -9.515 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.284 19.539 -8.578 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -3.595 20.071 -8.760 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -3.895 20.841 -11.778 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -2.507 19.899 -11.183 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.522 19.256 -12.496 1.00 75.00 H new ATOM 414 N GLU A 25 -1.935 15.488 -10.372 1.00 50.00 N ATOM 415 CA GLU A 25 -1.117 14.320 -9.993 1.00 10.00 C ATOM 416 C GLU A 25 -1.725 13.557 -8.791 1.00 10.00 C ATOM 417 O GLU A 25 -2.400 14.170 -7.953 1.00 50.00 O ATOM 418 CB GLU A 25 0.329 14.787 -9.676 1.00 50.00 C ATOM 419 CG GLU A 25 1.055 15.418 -10.884 1.00 50.00 C ATOM 420 CD GLU A 25 2.477 15.891 -10.553 1.00 75.00 C ATOM 421 OE1 GLU A 25 3.427 15.085 -10.662 1.00 75.00 O ATOM 422 OE2 GLU A 25 2.642 17.073 -10.171 1.00 75.00 O ATOM 0 H GLU A 25 -1.505 16.380 -10.128 1.00 50.00 H new ATOM 0 HA GLU A 25 -1.099 13.625 -10.832 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.297 15.512 -8.863 1.00 50.00 H new ATOM 0 HB3 GLU A 25 0.907 13.934 -9.320 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.100 14.690 -11.694 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.473 16.264 -11.248 1.00 50.00 H new ATOM 429 N PRO A 26 -1.511 12.201 -8.705 1.00 10.00 N ATOM 430 CA PRO A 26 -1.988 11.379 -7.572 1.00 50.00 C ATOM 431 C PRO A 26 -1.125 11.610 -6.311 1.00 10.00 C ATOM 432 O PRO A 26 0.105 11.536 -6.377 1.00 50.00 O ATOM 433 CB PRO A 26 -1.878 9.911 -8.115 1.00 50.00 C ATOM 434 CG PRO A 26 -1.544 10.046 -9.575 1.00 50.00 C ATOM 435 CD PRO A 26 -0.802 11.348 -9.699 1.00 50.00 C ATOM 0 HA PRO A 26 -3.002 11.624 -7.256 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -1.105 9.354 -7.586 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.814 9.370 -7.975 1.00 50.00 H new ATOM 0 HG2 PRO A 26 -0.932 9.211 -9.916 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -2.447 10.049 -10.185 1.00 50.00 H new ATOM 0 HD2 PRO A 26 0.256 11.239 -9.463 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.863 11.759 -10.707 1.00 50.00 H new ATOM 443 N ARG A 27 -1.780 11.876 -5.170 1.00 10.00 N ATOM 444 CA ARG A 27 -1.095 12.225 -3.909 1.00 10.00 C ATOM 445 C ARG A 27 -0.883 10.953 -3.072 1.00 10.00 C ATOM 446 O ARG A 27 -1.816 10.162 -2.913 1.00 50.00 O ATOM 447 CB ARG A 27 -1.940 13.265 -3.120 1.00 50.00 C ATOM 448 CG ARG A 27 -1.332 13.686 -1.757 1.00 50.00 C ATOM 449 CD ARG A 27 -2.151 14.776 -1.040 1.00 50.00 C ATOM 450 NE ARG A 27 -2.249 16.030 -1.823 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.364 17.050 -1.799 1.00 75.00 C ATOM 452 NH1 ARG A 27 -0.278 17.009 -1.030 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.583 18.120 -2.551 1.00 75.00 N ATOM 0 H ARG A 27 -2.797 11.856 -5.092 1.00 10.00 H new ATOM 0 HA ARG A 27 -0.123 12.666 -4.130 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -2.067 14.154 -3.737 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.934 12.852 -2.948 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.261 12.810 -1.112 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.316 14.049 -1.916 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -3.154 14.398 -0.841 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.694 14.991 -0.074 1.00 50.00 H new ATOM 0 HE ARG A 27 -3.058 16.132 -2.436 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -0.100 16.195 -0.442 1.00 75.00 H new ATOM 0 HH12 ARG A 27 0.376 17.792 -1.029 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -2.414 18.168 -3.141 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -0.921 18.896 -2.540 1.00 75.00 H new ATOM 467 N TRP A 28 0.338 10.754 -2.542 1.00 10.00 N ATOM 468 CA TRP A 28 0.654 9.600 -1.665 1.00 10.00 C ATOM 469 C TRP A 28 0.555 9.999 -0.186 1.00 10.00 C ATOM 470 O TRP A 28 0.662 11.184 0.151 1.00 50.00 O ATOM 471 CB TRP A 28 2.064 8.993 -1.984 1.00 50.00 C ATOM 472 CG TRP A 28 3.234 9.934 -1.780 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.821 10.729 -2.725 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.970 10.162 -0.562 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.841 11.447 -2.167 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.955 11.114 -0.844 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.878 9.660 0.741 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.846 11.577 0.122 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.760 10.114 1.702 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.734 11.066 1.387 1.00 50.00 C ATOM 0 H TRP A 28 1.128 11.378 -2.704 1.00 10.00 H new ATOM 0 HA TRP A 28 -0.086 8.825 -1.866 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.213 8.113 -1.358 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.069 8.652 -3.019 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.522 10.782 -3.761 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.425 12.124 -2.658 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.126 8.926 0.992 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.599 12.313 -0.119 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.696 9.729 2.709 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.411 11.405 2.157 1.00 50.00 H new ATOM 491 N LYS A 29 0.332 8.993 0.679 1.00 10.00 N ATOM 492 CA LYS A 29 0.465 9.122 2.151 1.00 10.00 C ATOM 493 C LYS A 29 1.158 7.876 2.712 1.00 10.00 C ATOM 494 O LYS A 29 1.355 6.882 1.994 1.00 50.00 O ATOM 495 CB LYS A 29 -0.906 9.306 2.866 1.00 50.00 C ATOM 496 CG LYS A 29 -1.708 10.570 2.481 1.00 50.00 C ATOM 497 CD LYS A 29 -3.022 10.725 3.296 1.00 50.00 C ATOM 498 CE LYS A 29 -3.876 9.438 3.324 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.096 8.872 1.965 1.00 75.00 N ATOM 0 H LYS A 29 0.052 8.059 0.379 1.00 10.00 H new ATOM 0 HA LYS A 29 1.057 10.017 2.342 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.522 8.432 2.657 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -0.732 9.324 3.942 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.085 11.451 2.636 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -1.948 10.532 1.418 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -2.776 11.012 4.318 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -3.613 11.536 2.870 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -3.384 8.693 3.950 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.840 9.655 3.784 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -4.044 7.834 2.009 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -5.034 9.158 1.618 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.364 9.228 1.318 1.00 75.00 H new ATOM 513 N GLY A 30 1.490 7.938 4.008 1.00 10.00 N ATOM 514 CA GLY A 30 2.074 6.820 4.725 1.00 10.00 C ATOM 515 C GLY A 30 2.320 7.166 6.203 1.00 10.00 C ATOM 516 O GLY A 30 1.968 8.268 6.639 1.00 50.00 O ATOM 0 H GLY A 30 1.357 8.771 4.581 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.412 5.957 4.658 1.00 10.00 H new ATOM 0 HA3 GLY A 30 3.016 6.537 4.255 1.00 10.00 H new ATOM 520 N PRO A 31 2.941 6.252 7.010 1.00 10.00 N ATOM 521 CA PRO A 31 3.361 4.904 6.572 1.00 10.00 C ATOM 522 C PRO A 31 2.236 3.844 6.748 1.00 10.00 C ATOM 523 O PRO A 31 1.890 3.441 7.872 1.00 50.00 O ATOM 524 CB PRO A 31 4.578 4.636 7.488 1.00 50.00 C ATOM 525 CG PRO A 31 4.257 5.339 8.780 1.00 50.00 C ATOM 526 CD PRO A 31 3.297 6.481 8.439 1.00 50.00 C ATOM 0 HA PRO A 31 3.595 4.843 5.509 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.725 3.568 7.646 1.00 50.00 H new ATOM 0 HB3 PRO A 31 5.497 5.022 7.046 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.801 4.650 9.491 1.00 50.00 H new ATOM 0 HG3 PRO A 31 5.164 5.723 9.246 1.00 50.00 H new ATOM 0 HD2 PRO A 31 2.413 6.461 9.077 1.00 50.00 H new ATOM 0 HD3 PRO A 31 3.770 7.453 8.580 1.00 50.00 H new ATOM 534 N TYR A 32 1.637 3.437 5.615 1.00 10.00 N ATOM 535 CA TYR A 32 0.662 2.324 5.559 1.00 10.00 C ATOM 536 C TYR A 32 1.345 0.991 5.936 1.00 10.00 C ATOM 537 O TYR A 32 2.573 0.879 5.909 1.00 50.00 O ATOM 538 CB TYR A 32 0.031 2.218 4.147 1.00 50.00 C ATOM 539 CG TYR A 32 -0.998 3.298 3.781 1.00 50.00 C ATOM 540 CD1 TYR A 32 -0.617 4.585 3.400 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.369 3.010 3.794 1.00 50.00 C ATOM 542 CE1 TYR A 32 -1.561 5.534 3.052 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.310 3.957 3.442 1.00 50.00 C ATOM 544 CZ TYR A 32 -2.900 5.217 3.071 1.00 50.00 C ATOM 545 OH TYR A 32 -3.836 6.164 2.723 1.00 50.00 O ATOM 0 H TYR A 32 1.813 3.869 4.708 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.131 2.530 6.278 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.834 2.246 3.410 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.449 1.243 4.059 1.00 50.00 H new ATOM 0 HD1 TYR A 32 0.431 4.844 3.376 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -2.698 2.024 4.086 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.246 6.526 2.765 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.361 3.710 3.458 1.00 50.00 H new ATOM 0 HH TYR A 32 -4.734 5.776 2.789 1.00 50.00 H new ATOM 555 N THR A 33 0.534 -0.014 6.287 1.00 10.00 N ATOM 556 CA THR A 33 1.030 -1.314 6.770 1.00 10.00 C ATOM 557 C THR A 33 0.287 -2.477 6.073 1.00 10.00 C ATOM 558 O THR A 33 -0.894 -2.688 6.332 1.00 50.00 O ATOM 559 CB THR A 33 0.858 -1.392 8.337 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.449 -0.933 8.722 1.00 50.00 O ATOM 561 CG2 THR A 33 1.932 -0.575 9.088 1.00 50.00 C ATOM 0 H THR A 33 -0.483 0.048 6.245 1.00 10.00 H new ATOM 0 HA THR A 33 2.088 -1.407 6.525 1.00 10.00 H new ATOM 0 HB THR A 33 0.980 -2.439 8.615 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.542 -0.989 9.696 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.770 -0.661 10.162 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.921 -0.959 8.839 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.864 0.472 8.794 1.00 50.00 H new ATOM 569 N VAL A 34 0.998 -3.237 5.206 1.00 10.00 N ATOM 570 CA VAL A 34 0.413 -4.358 4.438 1.00 10.00 C ATOM 571 C VAL A 34 0.361 -5.616 5.322 1.00 10.00 C ATOM 572 O VAL A 34 1.362 -5.979 5.952 1.00 50.00 O ATOM 573 CB VAL A 34 1.223 -4.666 3.116 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.498 -5.700 2.230 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.527 -3.380 2.322 1.00 50.00 C ATOM 0 H VAL A 34 1.990 -3.089 5.021 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.594 -4.064 4.141 1.00 10.00 H new ATOM 0 HB VAL A 34 2.174 -5.101 3.423 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.086 -5.885 1.331 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.377 -6.632 2.783 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.482 -5.315 1.949 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.085 -3.632 1.420 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.592 -2.893 2.046 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.120 -2.704 2.938 1.00 50.00 H new ATOM 585 N LEU A 35 -0.820 -6.262 5.368 1.00 10.00 N ATOM 586 CA LEU A 35 -1.062 -7.460 6.203 1.00 10.00 C ATOM 587 C LEU A 35 -1.062 -8.735 5.341 1.00 10.00 C ATOM 588 O LEU A 35 -0.642 -9.807 5.796 1.00 50.00 O ATOM 589 CB LEU A 35 -2.414 -7.318 6.960 1.00 50.00 C ATOM 590 CG LEU A 35 -2.549 -6.072 7.890 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.943 -6.019 8.552 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.427 -6.027 8.952 1.00 50.00 C ATOM 0 H LEU A 35 -1.635 -5.970 4.828 1.00 10.00 H new ATOM 0 HA LEU A 35 -0.256 -7.542 6.932 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.218 -7.287 6.225 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.567 -8.214 7.562 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.440 -5.187 7.264 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.008 -5.141 9.194 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.710 -5.962 7.780 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -4.096 -6.917 9.150 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.556 -5.145 9.580 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.475 -6.923 9.571 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.458 -5.981 8.456 1.00 50.00 H new ATOM 604 N LEU A 36 -1.528 -8.596 4.088 1.00 10.00 N ATOM 605 CA LEU A 36 -1.745 -9.740 3.176 1.00 10.00 C ATOM 606 C LEU A 36 -1.366 -9.322 1.743 1.00 10.00 C ATOM 607 O LEU A 36 -1.591 -8.174 1.369 1.00 50.00 O ATOM 608 CB LEU A 36 -3.239 -10.175 3.265 1.00 50.00 C ATOM 609 CG LEU A 36 -3.663 -11.462 2.486 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.990 -12.725 3.068 1.00 50.00 C ATOM 611 CD2 LEU A 36 -5.207 -11.606 2.460 1.00 50.00 C ATOM 0 H LEU A 36 -1.765 -7.693 3.677 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.120 -10.586 3.460 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.484 -10.322 4.317 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.852 -9.348 2.907 1.00 50.00 H new ATOM 0 HG LEU A 36 -3.317 -11.358 1.458 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -3.308 -13.600 2.502 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.907 -12.624 3.001 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -3.280 -12.843 4.112 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -5.479 -12.508 1.913 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -5.583 -11.673 3.481 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -5.645 -10.738 1.968 1.00 50.00 H new ATOM 623 N THR A 37 -0.769 -10.233 0.942 1.00 10.00 N ATOM 624 CA THR A 37 -0.410 -9.939 -0.466 1.00 10.00 C ATOM 625 C THR A 37 -0.768 -11.119 -1.384 1.00 10.00 C ATOM 626 O THR A 37 -0.471 -12.284 -1.082 1.00 50.00 O ATOM 627 CB THR A 37 1.111 -9.578 -0.663 1.00 50.00 C ATOM 628 OG1 THR A 37 1.949 -10.637 -0.208 1.00 50.00 O ATOM 629 CG2 THR A 37 1.512 -8.295 0.062 1.00 50.00 C ATOM 0 H THR A 37 -0.526 -11.176 1.245 1.00 10.00 H new ATOM 0 HA THR A 37 -0.995 -9.060 -0.737 1.00 10.00 H new ATOM 0 HB THR A 37 1.245 -9.424 -1.734 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.873 -10.464 -0.484 1.00 50.00 H new ATOM 0 HG21 THR A 37 2.570 -8.096 -0.109 1.00 50.00 H new ATOM 0 HG22 THR A 37 0.920 -7.462 -0.318 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.333 -8.410 1.131 1.00 50.00 H new ATOM 637 N THR A 38 -1.432 -10.774 -2.494 1.00 10.00 N ATOM 638 CA THR A 38 -1.753 -11.662 -3.623 1.00 10.00 C ATOM 639 C THR A 38 -1.033 -11.118 -4.908 1.00 10.00 C ATOM 640 O THR A 38 -0.554 -9.974 -4.889 1.00 50.00 O ATOM 641 CB THR A 38 -3.312 -11.698 -3.820 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.819 -10.361 -3.960 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.037 -12.390 -2.649 1.00 50.00 C ATOM 0 H THR A 38 -1.777 -9.825 -2.638 1.00 10.00 H new ATOM 0 HA THR A 38 -1.408 -12.678 -3.429 1.00 10.00 H new ATOM 0 HB THR A 38 -3.505 -12.277 -4.723 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.345 -10.126 -3.167 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.111 -12.388 -2.834 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.686 -13.418 -2.560 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.828 -11.854 -1.723 1.00 50.00 H new ATOM 651 N PRO A 39 -0.910 -11.923 -6.031 1.00 10.00 N ATOM 652 CA PRO A 39 -0.275 -11.465 -7.309 1.00 10.00 C ATOM 653 C PRO A 39 -0.804 -10.084 -7.808 1.00 10.00 C ATOM 654 O PRO A 39 -1.980 -9.952 -8.161 1.00 50.00 O ATOM 655 CB PRO A 39 -0.606 -12.615 -8.318 1.00 50.00 C ATOM 656 CG PRO A 39 -1.613 -13.489 -7.615 1.00 50.00 C ATOM 657 CD PRO A 39 -1.313 -13.347 -6.144 1.00 50.00 C ATOM 0 HA PRO A 39 0.795 -11.294 -7.186 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.013 -12.217 -9.247 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.290 -13.179 -8.578 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.632 -13.173 -7.840 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -1.523 -14.527 -7.935 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.185 -13.571 -5.529 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.517 -14.020 -5.826 1.00 50.00 H new ATOM 665 N THR A 40 0.088 -9.066 -7.753 1.00 10.00 N ATOM 666 CA THR A 40 -0.136 -7.678 -8.251 1.00 10.00 C ATOM 667 C THR A 40 -1.260 -6.922 -7.467 1.00 10.00 C ATOM 668 O THR A 40 -1.696 -5.820 -7.858 1.00 50.00 O ATOM 669 CB THR A 40 -0.386 -7.647 -9.813 1.00 50.00 C ATOM 670 OG1 THR A 40 0.466 -8.608 -10.463 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.097 -6.259 -10.437 1.00 50.00 C ATOM 0 H THR A 40 1.016 -9.188 -7.348 1.00 10.00 H new ATOM 0 HA THR A 40 0.788 -7.133 -8.057 1.00 10.00 H new ATOM 0 HB THR A 40 -1.440 -7.882 -9.962 1.00 50.00 H new ATOM 0 HG1 THR A 40 0.306 -8.586 -11.430 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.285 -6.296 -11.510 1.00 50.00 H new ATOM 0 HG22 THR A 40 -0.747 -5.512 -9.980 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.945 -5.990 -10.260 1.00 50.00 H new ATOM 679 N ALA A 41 -1.689 -7.488 -6.322 1.00 10.00 N ATOM 680 CA ALA A 41 -2.708 -6.865 -5.455 1.00 10.00 C ATOM 681 C ALA A 41 -2.255 -6.999 -3.998 1.00 10.00 C ATOM 682 O ALA A 41 -2.086 -8.112 -3.496 1.00 50.00 O ATOM 683 CB ALA A 41 -4.074 -7.538 -5.684 1.00 50.00 C ATOM 0 H ALA A 41 -1.342 -8.382 -5.974 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.819 -5.808 -5.695 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.821 -7.073 -5.041 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.368 -7.419 -6.727 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.001 -8.599 -5.447 1.00 50.00 H new ATOM 689 N LEU A 42 -2.068 -5.864 -3.313 1.00 10.00 N ATOM 690 CA LEU A 42 -1.534 -5.838 -1.948 1.00 10.00 C ATOM 691 C LEU A 42 -2.655 -5.389 -1.005 1.00 10.00 C ATOM 692 O LEU A 42 -3.193 -4.282 -1.164 1.00 50.00 O ATOM 693 CB LEU A 42 -0.306 -4.868 -1.878 1.00 50.00 C ATOM 694 CG LEU A 42 0.799 -5.052 -2.982 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.998 -4.109 -2.748 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.275 -6.516 -3.117 1.00 50.00 C ATOM 0 H LEU A 42 -2.282 -4.941 -3.689 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.189 -6.828 -1.648 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.676 -3.844 -1.934 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.165 -4.984 -0.902 1.00 50.00 H new ATOM 0 HG LEU A 42 0.327 -4.782 -3.927 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.741 -4.264 -3.530 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.657 -3.074 -2.772 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.444 -4.322 -1.776 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.037 -6.581 -3.894 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.694 -6.851 -2.168 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.430 -7.150 -3.384 1.00 50.00 H new ATOM 708 N LYS A 43 -3.024 -6.251 -0.044 1.00 10.00 N ATOM 709 CA LYS A 43 -4.024 -5.911 0.973 1.00 10.00 C ATOM 710 C LYS A 43 -3.332 -5.209 2.146 1.00 10.00 C ATOM 711 O LYS A 43 -2.625 -5.848 2.962 1.00 50.00 O ATOM 712 CB LYS A 43 -4.783 -7.166 1.475 1.00 50.00 C ATOM 713 CG LYS A 43 -5.810 -6.860 2.593 1.00 50.00 C ATOM 714 CD LYS A 43 -6.723 -8.060 2.925 1.00 50.00 C ATOM 715 CE LYS A 43 -7.864 -7.661 3.863 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.773 -8.800 4.165 1.00 75.00 N ATOM 0 H LYS A 43 -2.641 -7.192 0.047 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.759 -5.245 0.521 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.300 -7.629 0.634 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -4.061 -7.894 1.845 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.277 -6.557 3.494 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.428 -6.015 2.289 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.136 -8.469 2.003 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -6.131 -8.850 3.387 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.448 -7.275 4.794 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.437 -6.852 3.410 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.529 -8.481 4.803 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -9.192 -9.153 3.281 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.234 -9.563 4.622 1.00 75.00 H new ATOM 730 N VAL A 44 -3.561 -3.898 2.215 1.00 10.00 N ATOM 731 CA VAL A 44 -3.072 -3.036 3.282 1.00 10.00 C ATOM 732 C VAL A 44 -4.139 -2.963 4.398 1.00 10.00 C ATOM 733 O VAL A 44 -5.332 -3.192 4.143 1.00 50.00 O ATOM 734 CB VAL A 44 -2.754 -1.592 2.730 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.113 -0.697 3.803 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.877 -1.647 1.453 1.00 50.00 C ATOM 0 H VAL A 44 -4.105 -3.397 1.512 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.148 -3.451 3.686 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.708 -1.142 2.456 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.910 0.288 3.382 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.794 -0.597 4.648 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.179 -1.146 4.141 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.680 -0.634 1.103 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.933 -2.143 1.681 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.401 -2.204 0.676 1.00 50.00 H new ATOM 746 N ASP A 45 -3.693 -2.666 5.627 1.00 10.00 N ATOM 747 CA ASP A 45 -4.571 -2.440 6.778 1.00 10.00 C ATOM 748 C ASP A 45 -5.508 -1.240 6.534 1.00 10.00 C ATOM 749 O ASP A 45 -5.047 -0.129 6.244 1.00 50.00 O ATOM 750 CB ASP A 45 -3.710 -2.223 8.048 1.00 50.00 C ATOM 751 CG ASP A 45 -4.517 -1.838 9.297 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.504 -2.541 9.618 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.159 -0.847 9.978 1.00 50.00 O ATOM 0 H ASP A 45 -2.702 -2.576 5.849 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.200 -3.319 6.921 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.153 -3.137 8.256 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.977 -1.442 7.847 1.00 50.00 H new ATOM 758 N GLY A 46 -6.820 -1.497 6.636 1.00 10.00 N ATOM 759 CA GLY A 46 -7.844 -0.463 6.503 1.00 10.00 C ATOM 760 C GLY A 46 -8.387 -0.321 5.090 1.00 10.00 C ATOM 761 O GLY A 46 -9.210 0.562 4.838 1.00 50.00 O ATOM 0 H GLY A 46 -7.196 -2.429 6.813 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.668 -0.691 7.179 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.427 0.493 6.820 1.00 10.00 H new ATOM 765 N ILE A 47 -7.918 -1.184 4.165 1.00 10.00 N ATOM 766 CA ILE A 47 -8.381 -1.204 2.763 1.00 10.00 C ATOM 767 C ILE A 47 -9.601 -2.138 2.614 1.00 10.00 C ATOM 768 O ILE A 47 -9.747 -3.101 3.386 1.00 50.00 O ATOM 769 CB ILE A 47 -7.192 -1.627 1.810 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.085 -0.516 1.806 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.644 -1.980 0.367 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.545 0.877 1.383 1.00 50.00 C ATOM 0 H ILE A 47 -7.207 -1.887 4.370 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.701 -0.204 2.472 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.777 -2.549 2.216 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.660 -0.449 2.807 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.282 -0.831 1.139 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.775 -2.260 -0.228 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.346 -2.813 0.399 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.129 -1.114 -0.084 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.700 1.565 1.417 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.940 0.837 0.368 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.323 1.225 2.062 1.00 50.00 H new ATOM 784 N ALA A 48 -10.477 -1.814 1.623 1.00 10.00 N ATOM 785 CA ALA A 48 -11.722 -2.555 1.326 1.00 10.00 C ATOM 786 C ALA A 48 -11.464 -4.062 1.122 1.00 10.00 C ATOM 787 O ALA A 48 -12.123 -4.898 1.752 1.00 50.00 O ATOM 788 CB ALA A 48 -12.404 -1.942 0.086 1.00 50.00 C ATOM 0 H ALA A 48 -10.330 -1.018 1.003 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.385 -2.463 2.186 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.321 -2.489 -0.132 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.642 -0.896 0.281 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.731 -2.007 -0.769 1.00 50.00 H new ATOM 794 N ALA A 49 -10.507 -4.389 0.233 1.00 10.00 N ATOM 795 CA ALA A 49 -10.014 -5.772 0.065 1.00 10.00 C ATOM 796 C ALA A 49 -8.561 -5.791 -0.436 1.00 10.00 C ATOM 797 O ALA A 49 -7.704 -6.387 0.197 1.00 50.00 O ATOM 798 CB ALA A 49 -10.934 -6.563 -0.876 1.00 50.00 C ATOM 0 H ALA A 49 -10.057 -3.712 -0.383 1.00 10.00 H new ATOM 0 HA ALA A 49 -10.029 -6.255 1.042 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.554 -7.579 -0.987 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.940 -6.595 -0.459 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.961 -6.077 -1.851 1.00 50.00 H new ATOM 804 N TRP A 50 -8.294 -5.143 -1.589 1.00 10.00 N ATOM 805 CA TRP A 50 -6.925 -5.060 -2.180 1.00 10.00 C ATOM 806 C TRP A 50 -6.697 -3.700 -2.867 1.00 10.00 C ATOM 807 O TRP A 50 -7.656 -3.022 -3.256 1.00 50.00 O ATOM 808 CB TRP A 50 -6.670 -6.212 -3.205 1.00 50.00 C ATOM 809 CG TRP A 50 -6.569 -7.598 -2.596 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.478 -8.146 -1.979 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.591 -8.608 -2.558 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.766 -9.413 -1.546 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.051 -9.721 -1.892 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.912 -8.672 -3.018 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.786 -10.884 -1.675 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.638 -9.825 -2.808 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.074 -10.915 -2.142 1.00 50.00 C ATOM 0 H TRP A 50 -9.008 -4.664 -2.138 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.219 -5.165 -1.356 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.476 -6.211 -3.938 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.747 -6.000 -3.745 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.527 -7.651 -1.852 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.124 -10.028 -1.046 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.356 -7.831 -3.530 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.357 -11.730 -1.158 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.656 -9.886 -3.163 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.668 -11.805 -1.991 1.00 50.00 H new ATOM 828 N ILE A 51 -5.409 -3.316 -3.006 1.00 10.00 N ATOM 829 CA ILE A 51 -4.965 -2.172 -3.837 1.00 10.00 C ATOM 830 C ILE A 51 -4.045 -2.706 -4.942 1.00 10.00 C ATOM 831 O ILE A 51 -3.185 -3.542 -4.667 1.00 50.00 O ATOM 832 CB ILE A 51 -4.205 -1.078 -2.975 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.155 -0.454 -1.906 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.565 0.030 -3.856 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.409 0.212 -2.471 1.00 50.00 C ATOM 0 H ILE A 51 -4.639 -3.796 -2.540 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.841 -1.688 -4.268 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.390 -1.589 -2.462 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.459 -1.236 -1.210 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.596 0.285 -1.331 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.057 0.754 -3.218 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.845 -0.419 -4.540 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.343 0.534 -4.429 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -7.006 0.616 -1.653 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.120 1.020 -3.143 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.996 -0.524 -3.020 1.00 50.00 H new ATOM 847 N HIS A 52 -4.226 -2.228 -6.194 1.00 10.00 N ATOM 848 CA HIS A 52 -3.341 -2.596 -7.314 1.00 10.00 C ATOM 849 C HIS A 52 -1.923 -2.058 -7.015 1.00 10.00 C ATOM 850 O HIS A 52 -1.758 -0.860 -6.749 1.00 50.00 O ATOM 851 CB HIS A 52 -3.889 -2.033 -8.656 1.00 50.00 C ATOM 852 CG HIS A 52 -3.177 -2.566 -9.875 1.00 50.00 C ATOM 853 ND1 HIS A 52 -1.992 -2.043 -10.352 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.492 -3.580 -10.719 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.608 -2.730 -11.405 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.498 -3.659 -11.654 1.00 50.00 N ATOM 0 H HIS A 52 -4.977 -1.587 -6.450 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.301 -3.680 -7.416 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -4.950 -2.271 -8.733 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -3.806 -0.946 -8.644 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.368 -4.210 -10.663 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -0.706 -2.557 -11.973 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.456 -4.331 -12.420 1.00 50.00 H new ATOM 865 N ALA A 53 -0.925 -2.967 -7.108 1.00 10.00 N ATOM 866 CA ALA A 53 0.447 -2.795 -6.554 1.00 10.00 C ATOM 867 C ALA A 53 1.180 -1.518 -7.020 1.00 10.00 C ATOM 868 O ALA A 53 2.097 -1.057 -6.331 1.00 50.00 O ATOM 869 CB ALA A 53 1.301 -4.056 -6.851 1.00 50.00 C ATOM 0 H ALA A 53 -1.050 -3.862 -7.580 1.00 10.00 H new ATOM 0 HA ALA A 53 0.318 -2.669 -5.479 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.303 -3.922 -6.442 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.835 -4.927 -6.391 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.366 -4.206 -7.929 1.00 50.00 H new ATOM 875 N ALA A 54 0.777 -0.960 -8.176 1.00 10.00 N ATOM 876 CA ALA A 54 1.372 0.282 -8.731 1.00 10.00 C ATOM 877 C ALA A 54 1.215 1.478 -7.767 1.00 10.00 C ATOM 878 O ALA A 54 2.138 2.287 -7.608 1.00 50.00 O ATOM 879 CB ALA A 54 0.748 0.599 -10.095 1.00 50.00 C ATOM 0 H ALA A 54 0.033 -1.351 -8.754 1.00 10.00 H new ATOM 0 HA ALA A 54 2.441 0.112 -8.858 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.191 1.512 -10.494 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.936 -0.226 -10.782 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.327 0.737 -9.980 1.00 50.00 H new ATOM 885 N HIS A 55 0.046 1.546 -7.097 1.00 10.00 N ATOM 886 CA HIS A 55 -0.278 2.618 -6.125 1.00 10.00 C ATOM 887 C HIS A 55 0.408 2.410 -4.765 1.00 10.00 C ATOM 888 O HIS A 55 0.195 3.195 -3.852 1.00 50.00 O ATOM 889 CB HIS A 55 -1.819 2.715 -5.921 1.00 50.00 C ATOM 890 CG HIS A 55 -2.560 3.279 -7.102 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.589 4.627 -7.391 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.296 2.679 -8.061 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.298 4.825 -8.479 1.00 50.00 C ATOM 894 NE2 HIS A 55 -3.741 3.663 -8.907 1.00 50.00 N ATOM 0 H HIS A 55 -0.701 0.861 -7.212 1.00 10.00 H new ATOM 0 HA HIS A 55 0.102 3.549 -6.546 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.209 1.721 -5.702 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.021 3.336 -5.048 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.131 5.357 -6.845 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.497 1.621 -8.146 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.486 5.782 -8.944 1.00 50.00 H new ATOM 903 N VAL A 56 1.221 1.356 -4.629 1.00 10.00 N ATOM 904 CA VAL A 56 1.937 1.055 -3.378 1.00 10.00 C ATOM 905 C VAL A 56 3.461 1.062 -3.641 1.00 10.00 C ATOM 906 O VAL A 56 3.920 0.512 -4.648 1.00 50.00 O ATOM 907 CB VAL A 56 1.488 -0.338 -2.785 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.207 -0.650 -1.457 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.050 -0.416 -2.605 1.00 50.00 C ATOM 0 H VAL A 56 1.403 0.688 -5.378 1.00 10.00 H new ATOM 0 HA VAL A 56 1.692 1.822 -2.644 1.00 10.00 H new ATOM 0 HB VAL A 56 1.779 -1.097 -3.511 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.872 -1.616 -1.080 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.284 -0.679 -1.624 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.974 0.125 -0.727 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.319 -1.389 -2.195 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.377 0.368 -1.922 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.537 -0.282 -3.571 1.00 50.00 H new ATOM 919 N LYS A 57 4.239 1.695 -2.741 1.00 10.00 N ATOM 920 CA LYS A 57 5.716 1.698 -2.788 1.00 10.00 C ATOM 921 C LYS A 57 6.256 1.239 -1.429 1.00 10.00 C ATOM 922 O LYS A 57 5.691 1.603 -0.404 1.00 50.00 O ATOM 923 CB LYS A 57 6.279 3.116 -3.082 1.00 50.00 C ATOM 924 CG LYS A 57 5.906 3.719 -4.455 1.00 50.00 C ATOM 925 CD LYS A 57 6.717 5.006 -4.764 1.00 50.00 C ATOM 926 CE LYS A 57 8.235 4.738 -4.850 1.00 50.00 C ATOM 927 NZ LYS A 57 9.033 5.978 -5.072 1.00 75.00 N ATOM 0 H LYS A 57 3.858 2.222 -1.955 1.00 10.00 H new ATOM 0 HA LYS A 57 6.029 1.027 -3.588 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.930 3.793 -2.303 1.00 50.00 H new ATOM 0 HB3 LYS A 57 7.366 3.077 -3.007 1.00 50.00 H new ATOM 0 HG2 LYS A 57 6.086 2.981 -5.236 1.00 50.00 H new ATOM 0 HG3 LYS A 57 4.841 3.949 -4.473 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.372 5.432 -5.706 1.00 50.00 H new ATOM 0 HD3 LYS A 57 6.525 5.748 -3.989 1.00 50.00 H new ATOM 0 HE2 LYS A 57 8.567 4.259 -3.929 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.429 4.037 -5.662 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 10.043 5.736 -5.121 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 8.740 6.424 -5.964 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.873 6.639 -4.285 1.00 75.00 H new ATOM 941 N ALA A 58 7.366 0.477 -1.435 1.00 10.00 N ATOM 942 CA ALA A 58 8.060 0.052 -0.203 1.00 10.00 C ATOM 943 C ALA A 58 8.652 1.271 0.536 1.00 10.00 C ATOM 944 O ALA A 58 9.430 2.027 -0.049 1.00 50.00 O ATOM 945 CB ALA A 58 9.172 -0.956 -0.548 1.00 50.00 C ATOM 0 H ALA A 58 7.806 0.139 -2.291 1.00 10.00 H new ATOM 0 HA ALA A 58 7.337 -0.429 0.456 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.679 -1.265 0.366 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.734 -1.829 -1.033 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.890 -0.489 -1.222 1.00 50.00 H new ATOM 951 N ALA A 59 8.256 1.471 1.805 1.00 10.00 N ATOM 952 CA ALA A 59 8.788 2.552 2.667 1.00 10.00 C ATOM 953 C ALA A 59 9.677 1.962 3.781 1.00 10.00 C ATOM 954 O ALA A 59 9.559 0.779 4.130 1.00 50.00 O ATOM 955 CB ALA A 59 7.633 3.369 3.266 1.00 50.00 C ATOM 0 H ALA A 59 7.557 0.889 2.267 1.00 10.00 H new ATOM 0 HA ALA A 59 9.401 3.217 2.059 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.036 4.160 3.898 1.00 50.00 H new ATOM 0 HB2 ALA A 59 7.045 3.811 2.462 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.997 2.716 3.864 1.00 50.00 H new ATOM 961 N ASP A 60 10.576 2.804 4.307 1.00 10.00 N ATOM 962 CA ASP A 60 11.547 2.435 5.357 1.00 10.00 C ATOM 963 C ASP A 60 10.974 2.796 6.752 1.00 50.00 C ATOM 964 O ASP A 60 10.738 3.979 7.021 1.00 50.00 O ATOM 965 CB ASP A 60 12.896 3.180 5.086 1.00 50.00 C ATOM 966 CG ASP A 60 14.095 2.781 5.988 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.976 1.873 6.849 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.172 3.404 5.846 1.00 75.00 O ATOM 0 H ASP A 60 10.654 3.778 4.013 1.00 10.00 H new ATOM 0 HA ASP A 60 11.732 1.361 5.340 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.178 3.010 4.047 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.724 4.250 5.199 1.00 50.00 H new ATOM 973 N PRO A 61 10.719 1.783 7.655 1.00 50.00 N ATOM 974 CA PRO A 61 10.265 2.037 9.047 1.00 50.00 C ATOM 975 C PRO A 61 11.421 2.343 10.024 1.00 50.00 C ATOM 976 O PRO A 61 11.170 2.769 11.158 1.00 75.00 O ATOM 977 CB PRO A 61 9.579 0.705 9.415 1.00 75.00 C ATOM 978 CG PRO A 61 10.366 -0.339 8.679 1.00 75.00 C ATOM 979 CD PRO A 61 10.814 0.310 7.379 1.00 50.00 C ATOM 0 HA PRO A 61 9.624 2.916 9.116 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.599 0.532 10.491 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.532 0.700 9.111 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.223 -0.667 9.267 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.757 -1.221 8.484 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.831 0.018 7.117 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.174 0.018 6.546 1.00 50.00 H new ATOM 987 N GLY A 62 12.673 2.115 9.574 1.00 50.00 N ATOM 988 CA GLY A 62 13.847 2.151 10.448 1.00 50.00 C ATOM 989 C GLY A 62 13.966 0.866 11.255 1.00 75.00 C ATOM 990 O GLY A 62 14.869 0.065 11.039 1.00 75.00 O ATOM 0 H GLY A 62 12.889 1.903 8.600 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.746 2.293 9.849 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.776 3.004 11.123 1.00 50.00 H new ATOM 994 N GLY A 63 13.025 0.669 12.167 1.00 75.00 N ATOM 995 CA GLY A 63 12.897 -0.565 12.926 1.00 75.00 C ATOM 996 C GLY A 63 11.461 -0.722 13.384 1.00 75.00 C ATOM 997 O GLY A 63 10.583 -0.984 12.559 1.00 75.00 O ATOM 0 H GLY A 63 12.322 1.369 12.403 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.190 -1.416 12.311 1.00 75.00 H new ATOM 0 HA3 GLY A 63 13.566 -0.548 13.786 1.00 75.00 H new ATOM 1001 N GLY A 64 11.224 -0.491 14.687 1.00 75.00 N ATOM 1002 CA GLY A 64 9.882 -0.515 15.283 1.00 75.00 C ATOM 1003 C GLY A 64 9.194 -1.889 15.270 1.00 75.00 C ATOM 1004 O GLY A 64 8.142 -2.033 14.632 1.00 75.00 O ATOM 0 H GLY A 64 11.964 -0.282 15.357 1.00 75.00 H new ATOM 0 HA2 GLY A 64 9.952 -0.169 16.314 1.00 75.00 H new ATOM 0 HA3 GLY A 64 9.251 0.196 14.751 1.00 75.00 H new ATOM 1008 N PRO A 65 9.756 -2.942 15.951 1.00 75.00 N ATOM 1009 CA PRO A 65 9.067 -4.228 16.124 1.00 75.00 C ATOM 1010 C PRO A 65 8.152 -4.174 17.370 1.00 75.00 C ATOM 1011 O PRO A 65 8.632 -4.191 18.513 1.00 75.00 O ATOM 1012 CB PRO A 65 10.240 -5.249 16.275 1.00 75.00 C ATOM 1013 CG PRO A 65 11.505 -4.432 16.472 1.00 75.00 C ATOM 1014 CD PRO A 65 11.088 -2.980 16.611 1.00 75.00 C ATOM 0 HA PRO A 65 8.407 -4.498 15.300 1.00 75.00 H new ATOM 0 HB2 PRO A 65 10.070 -5.911 17.124 1.00 75.00 H new ATOM 0 HB3 PRO A 65 10.320 -5.880 15.390 1.00 75.00 H new ATOM 0 HG2 PRO A 65 12.042 -4.764 17.360 1.00 75.00 H new ATOM 0 HG3 PRO A 65 12.180 -4.559 15.625 1.00 75.00 H new ATOM 0 HD2 PRO A 65 11.028 -2.677 17.656 1.00 75.00 H new ATOM 0 HD3 PRO A 65 11.797 -2.310 16.125 1.00 75.00 H new ATOM 1022 N SER A 66 6.835 -4.076 17.140 1.00 75.00 N ATOM 1023 CA SER A 66 5.850 -3.901 18.221 1.00 75.00 C ATOM 1024 C SER A 66 4.511 -4.583 17.861 1.00 75.00 C ATOM 1025 O SER A 66 4.280 -5.738 18.244 1.00 75.00 O ATOM 1026 CB SER A 66 5.691 -2.389 18.545 1.00 75.00 C ATOM 1027 OG SER A 66 5.404 -1.620 17.380 1.00 75.00 O ATOM 0 H SER A 66 6.423 -4.115 16.208 1.00 75.00 H new ATOM 0 HA SER A 66 6.208 -4.393 19.125 1.00 75.00 H new ATOM 0 HB2 SER A 66 4.891 -2.257 19.273 1.00 75.00 H new ATOM 0 HB3 SER A 66 6.606 -2.019 19.007 1.00 75.00 H new ATOM 0 HG SER A 66 5.310 -0.676 17.626 1.00 75.00 H new ATOM 1033 N SER A 67 3.657 -3.892 17.081 1.00 75.00 N ATOM 1034 CA SER A 67 2.337 -4.415 16.660 1.00 75.00 C ATOM 1035 C SER A 67 2.494 -5.561 15.632 1.00 75.00 C ATOM 1036 O SER A 67 1.617 -6.423 15.499 1.00 75.00 O ATOM 1037 CB SER A 67 1.475 -3.265 16.087 1.00 75.00 C ATOM 1038 OG SER A 67 0.177 -3.712 15.715 1.00 75.00 O ATOM 0 H SER A 67 3.859 -2.958 16.725 1.00 75.00 H new ATOM 0 HA SER A 67 1.831 -4.829 17.532 1.00 75.00 H new ATOM 0 HB2 SER A 67 1.387 -2.472 16.830 1.00 75.00 H new ATOM 0 HB3 SER A 67 1.974 -2.835 15.219 1.00 75.00 H new ATOM 0 HG SER A 67 -0.339 -2.959 15.359 1.00 75.00 H new ATOM 1044 N ARG A 68 3.637 -5.546 14.921 1.00 75.00 N ATOM 1045 CA ARG A 68 3.988 -6.549 13.901 1.00 75.00 C ATOM 1046 C ARG A 68 4.383 -7.899 14.516 1.00 75.00 C ATOM 1047 O ARG A 68 4.220 -8.923 13.864 1.00 75.00 O ATOM 1048 CB ARG A 68 5.127 -6.004 13.001 1.00 75.00 C ATOM 1049 CG ARG A 68 4.679 -4.835 12.103 1.00 75.00 C ATOM 1050 CD ARG A 68 5.782 -4.325 11.154 1.00 75.00 C ATOM 1051 NE ARG A 68 6.671 -3.333 11.789 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.328 -2.366 11.124 1.00 75.00 C ATOM 1053 NH1 ARG A 68 7.214 -2.250 9.801 1.00 75.00 N ATOM 1054 NH2 ARG A 68 8.068 -1.507 11.798 1.00 75.00 N ATOM 0 H ARG A 68 4.351 -4.827 15.041 1.00 75.00 H new ATOM 0 HA ARG A 68 3.099 -6.729 13.296 1.00 75.00 H new ATOM 0 HB2 ARG A 68 5.954 -5.675 13.630 1.00 75.00 H new ATOM 0 HB3 ARG A 68 5.505 -6.812 12.374 1.00 75.00 H new ATOM 0 HG2 ARG A 68 3.820 -5.152 11.511 1.00 75.00 H new ATOM 0 HG3 ARG A 68 4.345 -4.011 12.734 1.00 75.00 H new ATOM 0 HD2 ARG A 68 6.377 -5.170 10.809 1.00 75.00 H new ATOM 0 HD3 ARG A 68 5.319 -3.880 10.273 1.00 75.00 H new ATOM 0 HE ARG A 68 6.796 -3.384 12.800 1.00 75.00 H new ATOM 0 HH11 ARG A 68 6.623 -2.899 9.281 1.00 75.00 H new ATOM 0 HH12 ARG A 68 7.718 -1.512 9.308 1.00 75.00 H new ATOM 0 HH21 ARG A 68 8.138 -1.580 12.813 1.00 75.00 H new ATOM 0 HH22 ARG A 68 8.571 -0.770 11.304 1.00 75.00 H new ATOM 1068 N LEU A 69 4.851 -7.887 15.785 1.00 75.00 N ATOM 1069 CA LEU A 69 5.306 -9.109 16.501 1.00 75.00 C ATOM 1070 C LEU A 69 4.172 -10.153 16.676 1.00 75.00 C ATOM 1071 O LEU A 69 4.450 -11.325 16.956 1.00 75.00 O ATOM 1072 CB LEU A 69 5.897 -8.726 17.884 1.00 75.00 C ATOM 1073 CG LEU A 69 7.152 -7.793 17.867 1.00 75.00 C ATOM 1074 CD1 LEU A 69 7.578 -7.411 19.301 1.00 75.00 C ATOM 1075 CD2 LEU A 69 8.322 -8.433 17.090 1.00 75.00 C ATOM 0 H LEU A 69 4.925 -7.036 16.342 1.00 75.00 H new ATOM 0 HA LEU A 69 6.077 -9.574 15.887 1.00 75.00 H new ATOM 0 HB2 LEU A 69 5.116 -8.238 18.467 1.00 75.00 H new ATOM 0 HB3 LEU A 69 6.160 -9.644 18.410 1.00 75.00 H new ATOM 0 HG LEU A 69 6.875 -6.878 17.344 1.00 75.00 H new ATOM 0 HD11 LEU A 69 8.453 -6.762 19.260 1.00 75.00 H new ATOM 0 HD12 LEU A 69 6.760 -6.887 19.796 1.00 75.00 H new ATOM 0 HD13 LEU A 69 7.822 -8.314 19.861 1.00 75.00 H new ATOM 0 HD21 LEU A 69 9.177 -7.757 17.098 1.00 75.00 H new ATOM 0 HD22 LEU A 69 8.600 -9.376 17.562 1.00 75.00 H new ATOM 0 HD23 LEU A 69 8.017 -8.619 16.060 1.00 75.00 H new ATOM 1087 N THR A 70 2.913 -9.695 16.525 1.00 75.00 N ATOM 1088 CA THR A 70 1.707 -10.536 16.581 1.00 75.00 C ATOM 1089 C THR A 70 1.777 -11.699 15.551 1.00 75.00 C ATOM 1090 O THR A 70 1.579 -12.868 15.916 1.00 75.00 O ATOM 1091 CB THR A 70 0.435 -9.648 16.329 1.00 75.00 C ATOM 1092 OG1 THR A 70 0.417 -8.557 17.267 1.00 75.00 O ATOM 1093 CG2 THR A 70 -0.874 -10.441 16.455 1.00 75.00 C ATOM 0 H THR A 70 2.705 -8.711 16.358 1.00 75.00 H new ATOM 0 HA THR A 70 1.643 -10.984 17.573 1.00 75.00 H new ATOM 0 HB THR A 70 0.499 -9.278 15.306 1.00 75.00 H new ATOM 0 HG1 THR A 70 0.773 -7.751 16.838 1.00 75.00 H new ATOM 0 HG21 THR A 70 -1.720 -9.779 16.271 1.00 75.00 H new ATOM 0 HG22 THR A 70 -0.881 -11.250 15.724 1.00 75.00 H new ATOM 0 HG23 THR A 70 -0.951 -10.858 17.459 1.00 75.00 H new ATOM 1101 N TRP A 71 2.060 -11.341 14.272 1.00 75.00 N ATOM 1102 CA TRP A 71 2.291 -12.290 13.150 1.00 75.00 C ATOM 1103 C TRP A 71 1.216 -13.397 12.999 1.00 75.00 C ATOM 1104 O TRP A 71 1.508 -14.450 12.437 1.00 75.00 O ATOM 1105 CB TRP A 71 3.722 -12.913 13.252 1.00 75.00 C ATOM 1106 CG TRP A 71 4.856 -11.958 12.914 1.00 75.00 C ATOM 1107 CD1 TRP A 71 4.930 -11.105 11.841 1.00 75.00 C ATOM 1108 CD2 TRP A 71 6.100 -11.803 13.622 1.00 75.00 C ATOM 1109 NE1 TRP A 71 6.111 -10.411 11.866 1.00 75.00 N ATOM 1110 CE2 TRP A 71 6.850 -10.825 12.941 1.00 75.00 C ATOM 1111 CE3 TRP A 71 6.645 -12.387 14.768 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 8.115 -10.420 13.368 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 7.899 -11.987 15.192 1.00 75.00 C ATOM 1114 CH2 TRP A 71 8.622 -11.013 14.493 1.00 75.00 C ATOM 0 H TRP A 71 2.136 -10.365 13.985 1.00 75.00 H new ATOM 0 HA TRP A 71 2.208 -11.693 12.242 1.00 75.00 H new ATOM 0 HB2 TRP A 71 3.870 -13.287 14.265 1.00 75.00 H new ATOM 0 HB3 TRP A 71 3.778 -13.773 12.584 1.00 75.00 H new ATOM 0 HD1 TRP A 71 4.166 -10.996 11.085 1.00 75.00 H new ATOM 0 HE1 TRP A 71 6.394 -9.700 11.192 1.00 75.00 H new ATOM 0 HE3 TRP A 71 6.095 -13.139 15.314 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 8.673 -9.667 12.831 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 8.328 -12.433 16.077 1.00 75.00 H new ATOM 0 HH2 TRP A 71 9.600 -10.723 14.849 1.00 75.00 H new ATOM 1125 N ARG A 72 -0.033 -13.127 13.425 1.00 75.00 N ATOM 1126 CA ARG A 72 -1.121 -14.144 13.440 1.00 75.00 C ATOM 1127 C ARG A 72 -1.506 -14.664 12.025 1.00 75.00 C ATOM 1128 O ARG A 72 -1.947 -15.812 11.885 1.00 75.00 O ATOM 1129 CB ARG A 72 -2.358 -13.592 14.190 1.00 75.00 C ATOM 1130 CG ARG A 72 -2.932 -12.278 13.613 1.00 75.00 C ATOM 1131 CD ARG A 72 -4.102 -11.705 14.441 1.00 75.00 C ATOM 1132 NE ARG A 72 -4.502 -10.367 13.968 1.00 75.00 N ATOM 1133 CZ ARG A 72 -4.409 -9.228 14.681 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -3.933 -9.234 15.922 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -4.781 -8.084 14.140 1.00 75.00 N ATOM 0 H ARG A 72 -0.322 -12.210 13.766 1.00 75.00 H new ATOM 0 HA ARG A 72 -0.733 -15.011 13.975 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -3.141 -14.350 14.178 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -2.089 -13.427 15.233 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -2.136 -11.535 13.560 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -3.271 -12.456 12.593 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -4.955 -12.381 14.382 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -3.812 -11.648 15.490 1.00 75.00 H new ATOM 0 HE ARG A 72 -4.880 -10.298 13.023 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -3.631 -10.110 16.348 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -3.869 -8.362 16.448 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -5.138 -8.064 13.185 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -4.712 -7.220 14.677 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.324 -13.826 10.987 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.552 -14.234 9.576 1.00 75.00 C ATOM 1151 C VAL A 73 -0.345 -15.059 9.067 1.00 75.00 C ATOM 1152 O VAL A 73 -0.481 -15.927 8.197 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.790 -12.983 8.647 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.195 -13.387 7.208 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.826 -12.022 9.267 1.00 50.00 C ATOM 0 H VAL A 73 -1.019 -12.858 11.093 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.451 -14.849 9.540 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.838 -12.457 8.572 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.347 -12.490 6.608 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.404 -13.991 6.763 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.119 -13.964 7.239 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.971 -11.168 8.606 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.774 -12.544 9.399 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.466 -11.674 10.235 1.00 50.00 H new ATOM 1165 N GLN A 74 0.834 -14.780 9.649 1.00 75.00 N ATOM 1166 CA GLN A 74 2.087 -15.496 9.342 1.00 75.00 C ATOM 1167 C GLN A 74 2.160 -16.831 10.128 1.00 75.00 C ATOM 1168 O GLN A 74 3.024 -17.663 9.847 1.00 75.00 O ATOM 1169 CB GLN A 74 3.307 -14.591 9.686 1.00 75.00 C ATOM 1170 CG GLN A 74 3.261 -13.151 9.117 1.00 75.00 C ATOM 1171 CD GLN A 74 3.260 -13.067 7.586 1.00 75.00 C ATOM 1172 OE1 GLN A 74 4.316 -13.040 6.960 1.00 75.00 O ATOM 1173 NE2 GLN A 74 2.083 -12.984 6.979 1.00 75.00 N ATOM 0 H GLN A 74 0.946 -14.047 10.350 1.00 75.00 H new ATOM 0 HA GLN A 74 2.108 -15.730 8.278 1.00 75.00 H new ATOM 0 HB2 GLN A 74 3.395 -14.530 10.771 1.00 75.00 H new ATOM 0 HB3 GLN A 74 4.211 -15.077 9.319 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.368 -12.654 9.495 1.00 75.00 H new ATOM 0 HG3 GLN A 74 4.119 -12.597 9.497 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.223 -13.009 7.527 1.00 75.00 H new ATOM 0 HE22 GLN A 74 2.038 -12.895 5.964 1.00 75.00 H new ATOM 1182 N ARG A 75 1.248 -17.022 11.126 1.00 75.00 N ATOM 1183 CA ARG A 75 1.136 -18.283 11.903 1.00 75.00 C ATOM 1184 C ARG A 75 0.305 -19.324 11.112 1.00 75.00 C ATOM 1185 O ARG A 75 -0.806 -19.691 11.515 1.00 75.00 O ATOM 1186 CB ARG A 75 0.501 -18.028 13.312 1.00 75.00 C ATOM 1187 CG ARG A 75 1.226 -17.029 14.244 1.00 75.00 C ATOM 1188 CD ARG A 75 2.662 -17.430 14.638 1.00 75.00 C ATOM 1189 NE ARG A 75 3.630 -17.281 13.540 1.00 75.00 N ATOM 1190 CZ ARG A 75 4.960 -17.423 13.658 1.00 75.00 C ATOM 1191 NH1 ARG A 75 5.540 -17.705 14.825 1.00 75.00 N ATOM 1192 NH2 ARG A 75 5.711 -17.316 12.586 1.00 75.00 N ATOM 0 H ARG A 75 0.577 -16.308 11.409 1.00 75.00 H new ATOM 0 HA ARG A 75 2.140 -18.677 12.059 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -0.519 -17.672 13.164 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.433 -18.985 13.830 1.00 75.00 H new ATOM 0 HG2 ARG A 75 1.258 -16.056 13.754 1.00 75.00 H new ATOM 0 HG3 ARG A 75 0.636 -16.909 15.153 1.00 75.00 H new ATOM 0 HD2 ARG A 75 2.984 -16.820 15.482 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.663 -18.466 14.976 1.00 75.00 H new ATOM 0 HE ARG A 75 3.262 -17.052 12.617 1.00 75.00 H new ATOM 0 HH11 ARG A 75 4.970 -17.820 15.663 1.00 75.00 H new ATOM 0 HH12 ARG A 75 6.553 -17.806 14.880 1.00 75.00 H new ATOM 0 HH21 ARG A 75 5.282 -17.127 11.680 1.00 75.00 H new ATOM 0 HH22 ARG A 75 6.723 -17.421 12.660 1.00 75.00 H new ATOM 1206 N SER A 76 0.867 -19.777 9.975 1.00 75.00 N ATOM 1207 CA SER A 76 0.239 -20.760 9.070 1.00 75.00 C ATOM 1208 C SER A 76 1.343 -21.438 8.225 1.00 75.00 C ATOM 1209 O SER A 76 1.745 -22.573 8.500 1.00 75.00 O ATOM 1210 CB SER A 76 -0.822 -20.078 8.155 1.00 75.00 C ATOM 1211 OG SER A 76 -1.900 -19.536 8.904 1.00 75.00 O ATOM 0 H SER A 76 1.784 -19.466 9.654 1.00 75.00 H new ATOM 0 HA SER A 76 -0.281 -21.515 9.660 1.00 75.00 H new ATOM 0 HB2 SER A 76 -0.347 -19.285 7.577 1.00 75.00 H new ATOM 0 HB3 SER A 76 -1.207 -20.806 7.441 1.00 75.00 H new ATOM 0 HG SER A 76 -1.727 -19.656 9.861 1.00 75.00 H new ATOM 1217 N GLN A 77 1.845 -20.708 7.206 1.00 75.00 N ATOM 1218 CA GLN A 77 2.918 -21.180 6.303 1.00 75.00 C ATOM 1219 C GLN A 77 4.285 -20.647 6.782 1.00 75.00 C ATOM 1220 O GLN A 77 5.319 -21.282 6.540 1.00 75.00 O ATOM 1221 CB GLN A 77 2.584 -20.727 4.842 1.00 75.00 C ATOM 1222 CG GLN A 77 3.600 -21.149 3.733 1.00 75.00 C ATOM 1223 CD GLN A 77 4.722 -20.126 3.466 1.00 75.00 C ATOM 1224 OE1 GLN A 77 4.519 -18.925 3.590 1.00 75.00 O ATOM 1225 NE2 GLN A 77 5.901 -20.594 3.097 1.00 75.00 N ATOM 0 H GLN A 77 1.515 -19.768 6.985 1.00 75.00 H new ATOM 0 HA GLN A 77 2.978 -22.268 6.317 1.00 75.00 H new ATOM 0 HB2 GLN A 77 1.604 -21.125 4.577 1.00 75.00 H new ATOM 0 HB3 GLN A 77 2.500 -19.640 4.832 1.00 75.00 H new ATOM 0 HG2 GLN A 77 4.053 -22.099 4.016 1.00 75.00 H new ATOM 0 HG3 GLN A 77 3.054 -21.320 2.805 1.00 75.00 H new ATOM 0 HE21 GLN A 77 6.043 -21.599 3.001 1.00 75.00 H new ATOM 0 HE22 GLN A 77 6.669 -19.950 2.908 1.00 75.00 H new ATOM 1234 N ASN A 78 4.244 -19.506 7.503 1.00 75.00 N ATOM 1235 CA ASN A 78 5.428 -18.748 7.957 1.00 75.00 C ATOM 1236 C ASN A 78 6.278 -18.275 6.753 1.00 75.00 C ATOM 1237 O ASN A 78 7.225 -18.959 6.344 1.00 75.00 O ATOM 1238 CB ASN A 78 6.281 -19.532 9.009 1.00 75.00 C ATOM 1239 CG ASN A 78 7.466 -18.714 9.558 1.00 75.00 C ATOM 1240 OD1 ASN A 78 7.342 -17.994 10.543 1.00 75.00 O ATOM 1241 ND2 ASN A 78 8.618 -18.822 8.924 1.00 75.00 N ATOM 0 H ASN A 78 3.365 -19.077 7.792 1.00 75.00 H new ATOM 0 HA ASN A 78 5.061 -17.861 8.474 1.00 75.00 H new ATOM 0 HB2 ASN A 78 5.639 -19.831 9.838 1.00 75.00 H new ATOM 0 HB3 ASN A 78 6.659 -20.446 8.552 1.00 75.00 H new ATOM 0 HD21 ASN A 78 9.431 -18.300 9.251 1.00 75.00 H new ATOM 0 HD22 ASN A 78 8.696 -19.428 8.107 1.00 75.00 H new ATOM 1248 N PRO A 79 5.909 -17.111 6.126 1.00 75.00 N ATOM 1249 CA PRO A 79 6.778 -16.410 5.148 1.00 75.00 C ATOM 1250 C PRO A 79 7.897 -15.591 5.845 1.00 75.00 C ATOM 1251 O PRO A 79 8.662 -14.887 5.177 1.00 75.00 O ATOM 1252 CB PRO A 79 5.777 -15.502 4.355 1.00 75.00 C ATOM 1253 CG PRO A 79 4.398 -15.860 4.866 1.00 75.00 C ATOM 1254 CD PRO A 79 4.608 -16.408 6.256 1.00 75.00 C ATOM 0 HA PRO A 79 7.322 -17.096 4.498 1.00 75.00 H new ATOM 0 HB2 PRO A 79 5.993 -14.446 4.520 1.00 75.00 H new ATOM 0 HB3 PRO A 79 5.854 -15.680 3.282 1.00 75.00 H new ATOM 0 HG2 PRO A 79 3.748 -14.985 4.884 1.00 75.00 H new ATOM 0 HG3 PRO A 79 3.921 -16.599 4.222 1.00 75.00 H new ATOM 0 HD2 PRO A 79 4.647 -15.616 7.004 1.00 75.00 H new ATOM 0 HD3 PRO A 79 3.807 -17.086 6.551 1.00 75.00 H new ATOM 1262 N LEU A 80 7.977 -15.701 7.197 1.00 75.00 N ATOM 1263 CA LEU A 80 8.997 -15.037 8.016 1.00 75.00 C ATOM 1264 C LEU A 80 10.344 -15.764 7.872 1.00 75.00 C ATOM 1265 O LEU A 80 10.684 -16.657 8.667 1.00 75.00 O ATOM 1266 CB LEU A 80 8.551 -14.995 9.504 1.00 75.00 C ATOM 1267 CG LEU A 80 7.167 -14.346 9.790 1.00 75.00 C ATOM 1268 CD1 LEU A 80 6.786 -14.516 11.273 1.00 75.00 C ATOM 1269 CD2 LEU A 80 7.137 -12.858 9.361 1.00 75.00 C ATOM 0 H LEU A 80 7.323 -16.261 7.744 1.00 75.00 H new ATOM 0 HA LEU A 80 9.118 -14.011 7.667 1.00 75.00 H new ATOM 0 HB2 LEU A 80 8.536 -16.016 9.886 1.00 75.00 H new ATOM 0 HB3 LEU A 80 9.307 -14.454 10.073 1.00 75.00 H new ATOM 0 HG LEU A 80 6.420 -14.865 9.189 1.00 75.00 H new ATOM 0 HD11 LEU A 80 5.815 -14.056 11.454 1.00 75.00 H new ATOM 0 HD12 LEU A 80 6.736 -15.577 11.516 1.00 75.00 H new ATOM 0 HD13 LEU A 80 7.538 -14.035 11.899 1.00 75.00 H new ATOM 0 HD21 LEU A 80 6.155 -12.437 9.576 1.00 75.00 H new ATOM 0 HD22 LEU A 80 7.897 -12.305 9.913 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.338 -12.783 8.292 1.00 75.00 H new ATOM 1281 N LYS A 81 11.075 -15.410 6.817 1.00 75.00 N ATOM 1282 CA LYS A 81 12.405 -15.950 6.551 1.00 75.00 C ATOM 1283 C LYS A 81 13.433 -15.140 7.340 1.00 75.00 C ATOM 1284 O LYS A 81 13.465 -13.908 7.227 1.00 75.00 O ATOM 1285 CB LYS A 81 12.687 -15.910 5.033 1.00 75.00 C ATOM 1286 CG LYS A 81 11.646 -16.699 4.206 1.00 75.00 C ATOM 1287 CD LYS A 81 11.895 -16.619 2.684 1.00 75.00 C ATOM 1288 CE LYS A 81 10.826 -17.370 1.880 1.00 75.00 C ATOM 1289 NZ LYS A 81 11.105 -17.347 0.419 1.00 75.00 N ATOM 0 H LYS A 81 10.759 -14.737 6.119 1.00 75.00 H new ATOM 0 HA LYS A 81 12.468 -16.990 6.870 1.00 75.00 H new ATOM 0 HB2 LYS A 81 12.699 -14.873 4.698 1.00 75.00 H new ATOM 0 HB3 LYS A 81 13.680 -16.318 4.842 1.00 75.00 H new ATOM 0 HG2 LYS A 81 11.661 -17.744 4.516 1.00 75.00 H new ATOM 0 HG3 LYS A 81 10.650 -16.315 4.426 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.912 -15.574 2.375 1.00 75.00 H new ATOM 0 HD3 LYS A 81 12.877 -17.034 2.456 1.00 75.00 H new ATOM 0 HE2 LYS A 81 10.775 -18.404 2.223 1.00 75.00 H new ATOM 0 HE3 LYS A 81 9.850 -16.923 2.069 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 10.358 -17.866 -0.085 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 11.128 -16.362 0.085 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 12.024 -17.797 0.234 1.00 75.00 H new ATOM 1303 N ILE A 82 14.245 -15.842 8.156 1.00 75.00 N ATOM 1304 CA ILE A 82 15.235 -15.225 9.047 1.00 75.00 C ATOM 1305 C ILE A 82 16.261 -14.389 8.252 1.00 75.00 C ATOM 1306 O ILE A 82 16.919 -14.876 7.320 1.00 75.00 O ATOM 1307 CB ILE A 82 15.974 -16.297 9.949 1.00 75.00 C ATOM 1308 CG1 ILE A 82 16.668 -17.404 9.083 1.00 75.00 C ATOM 1309 CG2 ILE A 82 14.992 -16.918 10.975 1.00 75.00 C ATOM 1310 CD1 ILE A 82 17.478 -18.430 9.865 1.00 75.00 C ATOM 0 H ILE A 82 14.228 -16.860 8.212 1.00 75.00 H new ATOM 0 HA ILE A 82 14.686 -14.557 9.711 1.00 75.00 H new ATOM 0 HB ILE A 82 16.761 -15.782 10.500 1.00 75.00 H new ATOM 0 HG12 ILE A 82 15.902 -17.929 8.512 1.00 75.00 H new ATOM 0 HG13 ILE A 82 17.326 -16.919 8.362 1.00 75.00 H new ATOM 0 HG21 ILE A 82 15.519 -17.652 11.585 1.00 75.00 H new ATOM 0 HG22 ILE A 82 14.592 -16.133 11.617 1.00 75.00 H new ATOM 0 HG23 ILE A 82 14.174 -17.406 10.446 1.00 75.00 H new ATOM 0 HD11 ILE A 82 17.916 -19.150 9.174 1.00 75.00 H new ATOM 0 HD12 ILE A 82 18.272 -17.924 10.414 1.00 75.00 H new ATOM 0 HD13 ILE A 82 16.826 -18.950 10.567 1.00 75.00 H new ATOM 1322 N ARG A 83 16.331 -13.105 8.598 1.00 75.00 N ATOM 1323 CA ARG A 83 17.274 -12.142 8.030 1.00 75.00 C ATOM 1324 C ARG A 83 18.189 -11.646 9.137 1.00 75.00 C ATOM 1325 O ARG A 83 17.722 -11.371 10.251 1.00 75.00 O ATOM 1326 CB ARG A 83 16.517 -10.952 7.408 1.00 75.00 C ATOM 1327 CG ARG A 83 15.678 -11.305 6.162 1.00 75.00 C ATOM 1328 CD ARG A 83 15.004 -10.066 5.560 1.00 75.00 C ATOM 1329 NE ARG A 83 15.977 -8.984 5.319 1.00 75.00 N ATOM 1330 CZ ARG A 83 15.679 -7.742 4.918 1.00 75.00 C ATOM 1331 NH1 ARG A 83 14.416 -7.370 4.688 1.00 75.00 N ATOM 1332 NH2 ARG A 83 16.657 -6.859 4.787 1.00 75.00 N ATOM 0 H ARG A 83 15.716 -12.694 9.301 1.00 75.00 H new ATOM 0 HA ARG A 83 17.859 -12.625 7.247 1.00 75.00 H new ATOM 0 HB2 ARG A 83 15.859 -10.522 8.163 1.00 75.00 H new ATOM 0 HB3 ARG A 83 17.238 -10.181 7.138 1.00 75.00 H new ATOM 0 HG2 ARG A 83 16.318 -11.771 5.413 1.00 75.00 H new ATOM 0 HG3 ARG A 83 14.917 -12.038 6.432 1.00 75.00 H new ATOM 0 HD2 ARG A 83 14.518 -10.335 4.622 1.00 75.00 H new ATOM 0 HD3 ARG A 83 14.224 -9.712 6.234 1.00 75.00 H new ATOM 0 HE ARG A 83 16.962 -9.201 5.471 1.00 75.00 H new ATOM 0 HH11 ARG A 83 13.656 -8.038 4.817 1.00 75.00 H new ATOM 0 HH12 ARG A 83 14.212 -6.418 4.383 1.00 75.00 H new ATOM 0 HH21 ARG A 83 17.619 -7.130 4.991 1.00 75.00 H new ATOM 0 HH22 ARG A 83 16.448 -5.908 4.482 1.00 75.00 H new ATOM 1346 N LEU A 84 19.491 -11.537 8.833 1.00 75.00 N ATOM 1347 CA LEU A 84 20.478 -10.980 9.759 1.00 75.00 C ATOM 1348 C LEU A 84 20.274 -9.459 9.834 1.00 75.00 C ATOM 1349 O LEU A 84 20.876 -8.685 9.086 1.00 75.00 O ATOM 1350 CB LEU A 84 21.925 -11.382 9.331 1.00 75.00 C ATOM 1351 CG LEU A 84 22.194 -12.924 9.204 1.00 75.00 C ATOM 1352 CD1 LEU A 84 23.644 -13.210 8.747 1.00 75.00 C ATOM 1353 CD2 LEU A 84 21.853 -13.673 10.517 1.00 75.00 C ATOM 0 H LEU A 84 19.885 -11.833 7.940 1.00 75.00 H new ATOM 0 HA LEU A 84 20.339 -11.390 10.759 1.00 75.00 H new ATOM 0 HB2 LEU A 84 22.144 -10.913 8.371 1.00 75.00 H new ATOM 0 HB3 LEU A 84 22.627 -10.968 10.055 1.00 75.00 H new ATOM 0 HG LEU A 84 21.527 -13.307 8.431 1.00 75.00 H new ATOM 0 HD11 LEU A 84 23.795 -14.287 8.670 1.00 75.00 H new ATOM 0 HD12 LEU A 84 23.817 -12.748 7.775 1.00 75.00 H new ATOM 0 HD13 LEU A 84 24.343 -12.797 9.474 1.00 75.00 H new ATOM 0 HD21 LEU A 84 22.052 -14.737 10.391 1.00 75.00 H new ATOM 0 HD22 LEU A 84 22.467 -13.283 11.329 1.00 75.00 H new ATOM 0 HD23 LEU A 84 20.800 -13.527 10.756 1.00 75.00 H new ATOM 1365 N THR A 85 19.309 -9.081 10.671 1.00 75.00 N ATOM 1366 CA THR A 85 18.980 -7.692 10.980 1.00 75.00 C ATOM 1367 C THR A 85 19.880 -7.244 12.138 1.00 75.00 C ATOM 1368 O THR A 85 20.124 -8.034 13.064 1.00 75.00 O ATOM 1369 CB THR A 85 17.463 -7.580 11.362 1.00 75.00 C ATOM 1370 OG1 THR A 85 16.663 -8.080 10.280 1.00 75.00 O ATOM 1371 CG2 THR A 85 17.017 -6.144 11.695 1.00 75.00 C ATOM 0 H THR A 85 18.719 -9.751 11.165 1.00 75.00 H new ATOM 0 HA THR A 85 19.150 -7.048 10.117 1.00 75.00 H new ATOM 0 HB THR A 85 17.324 -8.173 12.266 1.00 75.00 H new ATOM 0 HG1 THR A 85 15.714 -8.013 10.516 1.00 75.00 H new ATOM 0 HG21 THR A 85 15.957 -6.142 11.950 1.00 75.00 H new ATOM 0 HG22 THR A 85 17.594 -5.771 12.541 1.00 75.00 H new ATOM 0 HG23 THR A 85 17.183 -5.502 10.830 1.00 75.00 H new ATOM 1379 N ARG A 86 20.412 -6.008 12.065 1.00 75.00 N ATOM 1380 CA ARG A 86 21.312 -5.469 13.099 1.00 75.00 C ATOM 1381 C ARG A 86 20.544 -5.238 14.418 1.00 75.00 C ATOM 1382 O ARG A 86 20.025 -4.140 14.670 1.00 75.00 O ATOM 1383 CB ARG A 86 22.009 -4.160 12.625 1.00 75.00 C ATOM 1384 CG ARG A 86 22.922 -4.318 11.395 1.00 75.00 C ATOM 1385 CD ARG A 86 23.686 -3.020 11.055 1.00 75.00 C ATOM 1386 NE ARG A 86 24.575 -3.166 9.885 1.00 75.00 N ATOM 1387 CZ ARG A 86 25.857 -2.745 9.816 1.00 75.00 C ATOM 1388 NH1 ARG A 86 26.437 -2.144 10.860 1.00 75.00 N ATOM 1389 NH2 ARG A 86 26.556 -2.940 8.699 1.00 75.00 N ATOM 0 H ARG A 86 20.232 -5.363 11.296 1.00 75.00 H new ATOM 0 HA ARG A 86 22.093 -6.207 13.279 1.00 75.00 H new ATOM 0 HB2 ARG A 86 21.242 -3.420 12.397 1.00 75.00 H new ATOM 0 HB3 ARG A 86 22.601 -3.762 13.449 1.00 75.00 H new ATOM 0 HG2 ARG A 86 23.638 -5.120 11.578 1.00 75.00 H new ATOM 0 HG3 ARG A 86 22.321 -4.617 10.536 1.00 75.00 H new ATOM 0 HD2 ARG A 86 22.969 -2.222 10.863 1.00 75.00 H new ATOM 0 HD3 ARG A 86 24.277 -2.716 11.919 1.00 75.00 H new ATOM 0 HE ARG A 86 24.189 -3.623 9.059 1.00 75.00 H new ATOM 0 HH11 ARG A 86 25.911 -1.999 11.722 1.00 75.00 H new ATOM 0 HH12 ARG A 86 27.406 -1.831 10.795 1.00 75.00 H new ATOM 0 HH21 ARG A 86 26.123 -3.405 7.901 1.00 75.00 H new ATOM 0 HH22 ARG A 86 27.524 -2.624 8.642 1.00 75.00 H new ATOM 1403 N GLU A 87 20.426 -6.311 15.210 1.00 75.00 N ATOM 1404 CA GLU A 87 19.823 -6.266 16.544 1.00 75.00 C ATOM 1405 C GLU A 87 20.858 -5.691 17.520 1.00 75.00 C ATOM 1406 O GLU A 87 21.866 -6.346 17.821 1.00 75.00 O ATOM 1407 CB GLU A 87 19.365 -7.680 16.995 1.00 75.00 C ATOM 1408 CG GLU A 87 18.309 -8.342 16.086 1.00 75.00 C ATOM 1409 CD GLU A 87 17.850 -9.713 16.616 1.00 75.00 C ATOM 1410 OE1 GLU A 87 18.487 -10.742 16.280 1.00 75.00 O ATOM 1411 OE2 GLU A 87 16.862 -9.765 17.388 1.00 75.00 O ATOM 0 H GLU A 87 20.749 -7.240 14.940 1.00 75.00 H new ATOM 0 HA GLU A 87 18.937 -5.632 16.526 1.00 75.00 H new ATOM 0 HB2 GLU A 87 20.239 -8.330 17.045 1.00 75.00 H new ATOM 0 HB3 GLU A 87 18.961 -7.610 18.005 1.00 75.00 H new ATOM 0 HG2 GLU A 87 17.446 -7.683 15.998 1.00 75.00 H new ATOM 0 HG3 GLU A 87 18.721 -8.463 15.084 1.00 75.00 H new ATOM 1418 N ALA A 88 20.632 -4.449 17.971 1.00 75.00 N ATOM 1419 CA ALA A 88 21.525 -3.751 18.906 1.00 75.00 C ATOM 1420 C ALA A 88 20.744 -3.407 20.194 1.00 75.00 C ATOM 1421 O ALA A 88 20.243 -2.287 20.322 1.00 75.00 O ATOM 1422 CB ALA A 88 22.099 -2.497 18.221 1.00 75.00 C ATOM 0 H ALA A 88 19.819 -3.897 17.695 1.00 75.00 H new ATOM 0 HA ALA A 88 22.364 -4.388 19.187 1.00 75.00 H new ATOM 0 HB1 ALA A 88 22.762 -1.976 18.912 1.00 75.00 H new ATOM 0 HB2 ALA A 88 22.659 -2.791 17.333 1.00 75.00 H new ATOM 0 HB3 ALA A 88 21.283 -1.834 17.932 1.00 75.00 H new ATOM 1428 N PRO A 89 20.573 -4.390 21.143 1.00 75.00 N ATOM 1429 CA PRO A 89 19.797 -4.179 22.393 1.00 75.00 C ATOM 1430 C PRO A 89 20.462 -3.124 23.324 1.00 75.00 C ATOM 1431 O PRO A 89 20.017 -1.952 23.337 1.00 75.00 O ATOM 1432 CB PRO A 89 19.755 -5.601 23.037 1.00 75.00 C ATOM 1433 CG PRO A 89 20.115 -6.541 21.923 1.00 75.00 C ATOM 1434 CD PRO A 89 21.100 -5.783 21.077 1.00 75.00 C ATOM 1435 OXT PRO A 89 21.480 -3.453 23.981 1.00 75.00 O ATOM 0 HA PRO A 89 18.801 -3.775 22.210 1.00 75.00 H new ATOM 0 HB2 PRO A 89 20.460 -5.681 23.864 1.00 75.00 H new ATOM 0 HB3 PRO A 89 18.766 -5.824 23.438 1.00 75.00 H new ATOM 0 HG2 PRO A 89 20.553 -7.461 22.309 1.00 75.00 H new ATOM 0 HG3 PRO A 89 19.235 -6.824 21.346 1.00 75.00 H new ATOM 0 HD2 PRO A 89 22.113 -5.853 21.472 1.00 75.00 H new ATOM 0 HD3 PRO A 89 21.130 -6.158 20.054 1.00 75.00 H new TER 1443 PRO A 89