USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 837 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 41 CYS SG : rot 180:sc= -0.235 USER MOD Set 1.2: A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.102 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.173 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 162:sc= -0.0177 (180deg=-0.21) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.18) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 169:sc= 0 (180deg=-0.134) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0416) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 57 THR OG1 : rot -82:sc= 0.539 USER MOD Single : A 64 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.65) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.661 K(o=0.66,f=-0.025) USER MOD Single : A 73 CYS SG : rot 41:sc= -0.174 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot -35:sc= 0.147 USER MOD Single : A 91 MET CE :methyl 179:sc= -0.133 (180deg=-0.135) USER MOD Single : A 92 CYS SG : rot 44:sc= -1.58 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0804 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.904 14.125 -30.192 1.00 0.00 N ATOM 2 CA GLY A 1 16.045 14.023 -31.083 1.00 0.00 C ATOM 3 C GLY A 1 17.035 12.965 -30.638 1.00 0.00 C ATOM 4 O GLY A 1 17.154 11.913 -31.266 1.00 0.00 O ATOM 0 H1 GLY A 1 14.257 14.861 -30.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.405 13.213 -30.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.231 14.374 -29.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.697 13.790 -32.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.549 14.988 -31.136 1.00 0.00 H new ATOM 8 N SER A 2 17.749 13.245 -29.553 1.00 0.00 N ATOM 9 CA SER A 2 18.738 12.311 -29.027 1.00 0.00 C ATOM 10 C SER A 2 19.206 12.739 -27.640 1.00 0.00 C ATOM 11 O SER A 2 19.289 11.924 -26.722 1.00 0.00 O ATOM 12 CB SER A 2 19.936 12.217 -29.975 1.00 0.00 C ATOM 13 OG SER A 2 20.250 10.867 -30.268 1.00 0.00 O ATOM 0 H SER A 2 17.661 14.111 -29.021 1.00 0.00 H new ATOM 0 HA SER A 2 18.269 11.331 -28.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.715 12.751 -30.899 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.800 12.705 -29.524 1.00 0.00 H new ATOM 0 HG SER A 2 21.017 10.834 -30.877 1.00 0.00 H new ATOM 19 N SER A 3 19.511 14.025 -27.495 1.00 0.00 N ATOM 20 CA SER A 3 19.974 14.562 -26.221 1.00 0.00 C ATOM 21 C SER A 3 18.866 14.510 -25.174 1.00 0.00 C ATOM 22 O SER A 3 17.681 14.536 -25.506 1.00 0.00 O ATOM 23 CB SER A 3 20.457 16.003 -26.397 1.00 0.00 C ATOM 24 OG SER A 3 20.597 16.331 -27.769 1.00 0.00 O ATOM 0 H SER A 3 19.446 14.714 -28.244 1.00 0.00 H new ATOM 0 HA SER A 3 20.805 13.947 -25.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.750 16.687 -25.927 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.413 16.134 -25.889 1.00 0.00 H new ATOM 0 HG SER A 3 20.905 17.257 -27.854 1.00 0.00 H new ATOM 30 N GLY A 4 19.260 14.436 -23.907 1.00 0.00 N ATOM 31 CA GLY A 4 18.290 14.381 -22.830 1.00 0.00 C ATOM 32 C GLY A 4 17.613 15.716 -22.590 1.00 0.00 C ATOM 33 O GLY A 4 17.591 16.575 -23.471 1.00 0.00 O ATOM 0 H GLY A 4 20.235 14.413 -23.607 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.534 13.631 -23.064 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.786 14.059 -21.914 1.00 0.00 H new ATOM 37 N SER A 5 17.057 15.890 -21.395 1.00 0.00 N ATOM 38 CA SER A 5 16.372 17.129 -21.044 1.00 0.00 C ATOM 39 C SER A 5 17.181 17.929 -20.029 1.00 0.00 C ATOM 40 O SER A 5 17.245 19.156 -20.098 1.00 0.00 O ATOM 41 CB SER A 5 14.982 16.825 -20.480 1.00 0.00 C ATOM 42 OG SER A 5 14.643 15.462 -20.669 1.00 0.00 O ATOM 0 H SER A 5 17.067 15.189 -20.654 1.00 0.00 H new ATOM 0 HA SER A 5 16.267 17.726 -21.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.957 17.066 -19.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.241 17.458 -20.968 1.00 0.00 H new ATOM 0 HG SER A 5 13.752 15.292 -20.299 1.00 0.00 H new ATOM 48 N SER A 6 17.798 17.224 -19.085 1.00 0.00 N ATOM 49 CA SER A 6 18.601 17.868 -18.052 1.00 0.00 C ATOM 50 C SER A 6 17.783 18.916 -17.304 1.00 0.00 C ATOM 51 O SER A 6 16.576 19.038 -17.504 1.00 0.00 O ATOM 52 CB SER A 6 19.840 18.517 -18.670 1.00 0.00 C ATOM 53 OG SER A 6 20.079 18.021 -19.976 1.00 0.00 O ATOM 0 H SER A 6 17.757 16.207 -19.015 1.00 0.00 H new ATOM 0 HA SER A 6 18.917 17.104 -17.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.708 19.598 -18.707 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.708 18.324 -18.040 1.00 0.00 H new ATOM 0 HG SER A 6 20.875 18.453 -20.349 1.00 0.00 H new ATOM 59 N GLY A 7 18.453 19.673 -16.439 1.00 0.00 N ATOM 60 CA GLY A 7 17.774 20.701 -15.672 1.00 0.00 C ATOM 61 C GLY A 7 17.902 22.074 -16.303 1.00 0.00 C ATOM 62 O GLY A 7 18.477 22.986 -15.709 1.00 0.00 O ATOM 0 H GLY A 7 19.453 19.592 -16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.719 20.444 -15.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.185 20.728 -14.663 1.00 0.00 H new ATOM 66 N ARG A 8 17.366 22.221 -17.510 1.00 0.00 N ATOM 67 CA ARG A 8 17.426 23.491 -18.223 1.00 0.00 C ATOM 68 C ARG A 8 16.695 24.584 -17.448 1.00 0.00 C ATOM 69 O ARG A 8 15.486 24.504 -17.231 1.00 0.00 O ATOM 70 CB ARG A 8 16.816 23.347 -19.619 1.00 0.00 C ATOM 71 CG ARG A 8 17.849 23.312 -20.734 1.00 0.00 C ATOM 72 CD ARG A 8 18.862 22.199 -20.520 1.00 0.00 C ATOM 73 NE ARG A 8 19.123 21.453 -21.748 1.00 0.00 N ATOM 74 CZ ARG A 8 19.916 21.892 -22.720 1.00 0.00 C ATOM 75 NH1 ARG A 8 20.522 23.066 -22.607 1.00 0.00 N ATOM 76 NH2 ARG A 8 20.104 21.155 -23.808 1.00 0.00 N ATOM 0 H ARG A 8 16.885 21.476 -18.015 1.00 0.00 H new ATOM 0 HA ARG A 8 18.474 23.775 -18.320 1.00 0.00 H new ATOM 0 HB2 ARG A 8 16.224 22.433 -19.655 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.132 24.177 -19.795 1.00 0.00 H new ATOM 0 HG2 ARG A 8 17.348 23.170 -21.691 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.365 24.271 -20.783 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.795 22.624 -20.149 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.495 21.517 -19.753 1.00 0.00 H new ATOM 0 HE ARG A 8 18.672 20.546 -21.866 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.380 23.635 -21.772 1.00 0.00 H new ATOM 0 HH12 ARG A 8 21.130 23.400 -23.355 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.640 20.251 -23.898 1.00 0.00 H new ATOM 0 HH22 ARG A 8 20.713 21.492 -24.554 1.00 0.00 H new ATOM 90 N THR A 9 17.438 25.606 -17.034 1.00 0.00 N ATOM 91 CA THR A 9 16.862 26.714 -16.282 1.00 0.00 C ATOM 92 C THR A 9 16.284 26.236 -14.955 1.00 0.00 C ATOM 93 O THR A 9 16.107 25.037 -14.740 1.00 0.00 O ATOM 94 CB THR A 9 15.756 27.424 -17.086 1.00 0.00 C ATOM 95 OG1 THR A 9 15.917 27.155 -18.483 1.00 0.00 O ATOM 96 CG2 THR A 9 15.792 28.925 -16.846 1.00 0.00 C ATOM 0 H THR A 9 18.440 25.689 -17.207 1.00 0.00 H new ATOM 0 HA THR A 9 17.670 27.420 -16.090 1.00 0.00 H new ATOM 0 HB THR A 9 14.792 27.042 -16.752 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.209 27.608 -18.987 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.002 29.405 -17.424 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.640 29.128 -15.786 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.760 29.320 -17.156 1.00 0.00 H new ATOM 104 N SER A 10 15.990 27.182 -14.068 1.00 0.00 N ATOM 105 CA SER A 10 15.434 26.857 -12.760 1.00 0.00 C ATOM 106 C SER A 10 14.299 27.811 -12.400 1.00 0.00 C ATOM 107 O SER A 10 14.348 28.999 -12.717 1.00 0.00 O ATOM 108 CB SER A 10 16.525 26.917 -11.689 1.00 0.00 C ATOM 109 OG SER A 10 15.984 27.278 -10.430 1.00 0.00 O ATOM 0 H SER A 10 16.128 28.179 -14.232 1.00 0.00 H new ATOM 0 HA SER A 10 15.034 25.844 -12.804 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.017 25.948 -11.612 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.287 27.639 -11.982 1.00 0.00 H new ATOM 0 HG SER A 10 16.701 27.308 -9.762 1.00 0.00 H new ATOM 115 N ALA A 11 13.277 27.280 -11.736 1.00 0.00 N ATOM 116 CA ALA A 11 12.130 28.084 -11.331 1.00 0.00 C ATOM 117 C ALA A 11 12.051 28.201 -9.813 1.00 0.00 C ATOM 118 O ALA A 11 12.863 27.621 -9.093 1.00 0.00 O ATOM 119 CB ALA A 11 10.845 27.486 -11.884 1.00 0.00 C ATOM 0 H ALA A 11 13.220 26.298 -11.467 1.00 0.00 H new ATOM 0 HA ALA A 11 12.257 29.086 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.997 28.096 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.895 27.460 -12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.722 26.473 -11.502 1.00 0.00 H new ATOM 125 N MET A 12 11.068 28.955 -9.332 1.00 0.00 N ATOM 126 CA MET A 12 10.883 29.147 -7.899 1.00 0.00 C ATOM 127 C MET A 12 10.620 27.817 -7.201 1.00 0.00 C ATOM 128 O MET A 12 10.311 26.815 -7.848 1.00 0.00 O ATOM 129 CB MET A 12 9.725 30.112 -7.637 1.00 0.00 C ATOM 130 CG MET A 12 10.007 31.114 -6.529 1.00 0.00 C ATOM 131 SD MET A 12 10.698 32.659 -7.150 1.00 0.00 S ATOM 132 CE MET A 12 9.252 33.397 -7.908 1.00 0.00 C ATOM 0 H MET A 12 10.387 29.443 -9.914 1.00 0.00 H new ATOM 0 HA MET A 12 11.801 29.574 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 12 9.499 30.653 -8.556 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.836 29.537 -7.378 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.083 31.324 -5.991 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.700 30.672 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.421 34.464 -8.050 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.068 32.927 -8.874 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.387 33.249 -7.262 1.00 0.00 H new ATOM 142 N LEU A 13 10.744 27.812 -5.878 1.00 0.00 N ATOM 143 CA LEU A 13 10.520 26.604 -5.093 1.00 0.00 C ATOM 144 C LEU A 13 9.132 26.616 -4.460 1.00 0.00 C ATOM 145 O LEU A 13 8.968 27.011 -3.305 1.00 0.00 O ATOM 146 CB LEU A 13 11.588 26.473 -4.006 1.00 0.00 C ATOM 147 CG LEU A 13 13.030 26.721 -4.448 1.00 0.00 C ATOM 148 CD1 LEU A 13 13.951 26.812 -3.241 1.00 0.00 C ATOM 149 CD2 LEU A 13 13.494 25.623 -5.394 1.00 0.00 C ATOM 0 H LEU A 13 10.999 28.632 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 13 10.586 25.747 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.350 27.172 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.526 25.470 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 13 13.068 27.672 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.973 26.989 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.632 27.634 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.909 25.878 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.523 25.816 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.440 24.659 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.852 25.606 -6.275 1.00 0.00 H new ATOM 161 N THR A 14 8.135 26.178 -5.223 1.00 0.00 N ATOM 162 CA THR A 14 6.762 26.137 -4.737 1.00 0.00 C ATOM 163 C THR A 14 6.277 27.527 -4.342 1.00 0.00 C ATOM 164 O THR A 14 6.567 28.010 -3.247 1.00 0.00 O ATOM 165 CB THR A 14 6.622 25.194 -3.527 1.00 0.00 C ATOM 166 OG1 THR A 14 7.803 24.396 -3.389 1.00 0.00 O ATOM 167 CG2 THR A 14 5.408 24.290 -3.683 1.00 0.00 C ATOM 0 H THR A 14 8.253 25.847 -6.180 1.00 0.00 H new ATOM 0 HA THR A 14 6.148 25.760 -5.555 1.00 0.00 H new ATOM 0 HB THR A 14 6.489 25.803 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.707 23.800 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.330 23.633 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.508 24.900 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.516 23.689 -4.586 1.00 0.00 H new ATOM 175 N VAL A 15 5.535 28.168 -5.240 1.00 0.00 N ATOM 176 CA VAL A 15 5.008 29.503 -4.984 1.00 0.00 C ATOM 177 C VAL A 15 4.033 29.493 -3.812 1.00 0.00 C ATOM 178 O VAL A 15 4.336 30.008 -2.736 1.00 0.00 O ATOM 179 CB VAL A 15 4.296 30.073 -6.226 1.00 0.00 C ATOM 180 CG1 VAL A 15 3.733 31.455 -5.931 1.00 0.00 C ATOM 181 CG2 VAL A 15 5.248 30.117 -7.412 1.00 0.00 C ATOM 0 H VAL A 15 5.285 27.784 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 15 5.859 30.138 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 15 3.465 29.416 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.234 31.842 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.017 31.389 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.545 32.126 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.729 30.522 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.101 30.751 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.597 29.109 -7.636 1.00 0.00 H new ATOM 191 N ARG A 16 2.862 28.905 -4.029 1.00 0.00 N ATOM 192 CA ARG A 16 1.841 28.828 -2.991 1.00 0.00 C ATOM 193 C ARG A 16 1.370 27.390 -2.796 1.00 0.00 C ATOM 194 O ARG A 16 1.793 26.485 -3.514 1.00 0.00 O ATOM 195 CB ARG A 16 0.652 29.722 -3.348 1.00 0.00 C ATOM 196 CG ARG A 16 0.854 31.182 -2.978 1.00 0.00 C ATOM 197 CD ARG A 16 -0.468 31.931 -2.919 1.00 0.00 C ATOM 198 NE ARG A 16 -0.556 32.795 -1.745 1.00 0.00 N ATOM 199 CZ ARG A 16 -1.702 33.246 -1.248 1.00 0.00 C ATOM 200 NH1 ARG A 16 -2.852 32.916 -1.821 1.00 0.00 N ATOM 201 NH2 ARG A 16 -1.701 34.028 -0.177 1.00 0.00 N ATOM 0 H ARG A 16 2.596 28.475 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 16 2.282 29.177 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.463 29.650 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.238 29.348 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.354 31.248 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.509 31.656 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.585 32.532 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.290 31.215 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 16 0.311 33.067 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.857 32.315 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.731 33.263 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.819 34.284 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.582 34.373 0.203 1.00 0.00 H new ATOM 215 N ALA A 17 0.491 27.188 -1.820 1.00 0.00 N ATOM 216 CA ALA A 17 -0.039 25.861 -1.532 1.00 0.00 C ATOM 217 C ALA A 17 -0.712 25.260 -2.761 1.00 0.00 C ATOM 218 O ALA A 17 -1.101 25.979 -3.682 1.00 0.00 O ATOM 219 CB ALA A 17 -1.018 25.925 -0.369 1.00 0.00 C ATOM 0 H ALA A 17 0.131 27.926 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 17 0.795 25.216 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.406 24.927 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.507 26.304 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.843 26.590 -0.624 1.00 0.00 H new ATOM 225 N LEU A 18 -0.846 23.938 -2.769 1.00 0.00 N ATOM 226 CA LEU A 18 -1.473 23.240 -3.886 1.00 0.00 C ATOM 227 C LEU A 18 -1.903 21.835 -3.477 1.00 0.00 C ATOM 228 O LEU A 18 -1.352 21.234 -2.555 1.00 0.00 O ATOM 229 CB LEU A 18 -0.509 23.166 -5.072 1.00 0.00 C ATOM 230 CG LEU A 18 0.483 22.002 -5.059 1.00 0.00 C ATOM 231 CD1 LEU A 18 1.301 21.985 -6.341 1.00 0.00 C ATOM 232 CD2 LEU A 18 1.393 22.091 -3.843 1.00 0.00 C ATOM 0 H LEU A 18 -0.529 23.328 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.360 23.800 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.096 23.107 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.055 24.098 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.079 21.070 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.002 21.150 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.635 21.873 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.854 22.920 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.092 21.255 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.948 23.029 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.791 22.053 -2.935 1.00 0.00 H new ATOM 244 N PRO A 19 -2.911 21.296 -4.180 1.00 0.00 N ATOM 245 CA PRO A 19 -3.435 19.954 -3.911 1.00 0.00 C ATOM 246 C PRO A 19 -2.449 18.858 -4.298 1.00 0.00 C ATOM 247 O PRO A 19 -1.572 19.067 -5.136 1.00 0.00 O ATOM 248 CB PRO A 19 -4.688 19.880 -4.787 1.00 0.00 C ATOM 249 CG PRO A 19 -4.435 20.847 -5.892 1.00 0.00 C ATOM 250 CD PRO A 19 -3.615 21.956 -5.293 1.00 0.00 C ATOM 0 HA PRO A 19 -3.630 19.798 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.844 18.872 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.582 20.148 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.903 20.369 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.372 21.230 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.917 22.376 -6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.242 22.775 -4.942 1.00 0.00 H new ATOM 258 N ILE A 20 -2.599 17.689 -3.683 1.00 0.00 N ATOM 259 CA ILE A 20 -1.722 16.560 -3.965 1.00 0.00 C ATOM 260 C ILE A 20 -2.452 15.483 -4.761 1.00 0.00 C ATOM 261 O ILE A 20 -3.538 15.044 -4.384 1.00 0.00 O ATOM 262 CB ILE A 20 -1.170 15.938 -2.668 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.410 16.989 -1.857 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.270 14.755 -2.990 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.062 16.535 -0.456 1.00 0.00 C ATOM 0 H ILE A 20 -3.320 17.500 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.891 16.945 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.007 15.579 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.508 17.250 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.012 17.896 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.112 14.326 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.841 14.000 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.564 15.090 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.476 17.330 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.977 16.302 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.566 15.646 -0.507 1.00 0.00 H new ATOM 277 N LYS A 21 -1.846 15.059 -5.865 1.00 0.00 N ATOM 278 CA LYS A 21 -2.435 14.031 -6.715 1.00 0.00 C ATOM 279 C LYS A 21 -1.412 12.951 -7.050 1.00 0.00 C ATOM 280 O LYS A 21 -0.280 12.982 -6.567 1.00 0.00 O ATOM 281 CB LYS A 21 -2.975 14.654 -8.004 1.00 0.00 C ATOM 282 CG LYS A 21 -4.157 15.582 -7.783 1.00 0.00 C ATOM 283 CD LYS A 21 -4.916 15.836 -9.074 1.00 0.00 C ATOM 284 CE LYS A 21 -5.780 17.085 -8.977 1.00 0.00 C ATOM 285 NZ LYS A 21 -5.901 17.779 -10.288 1.00 0.00 N ATOM 0 H LYS A 21 -0.947 15.412 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.258 13.570 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.174 15.209 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.272 13.857 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.830 15.146 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.805 16.529 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.210 15.944 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.544 14.975 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.772 16.813 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.351 17.767 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.497 18.624 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.957 18.061 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.334 17.137 -10.982 1.00 0.00 H new ATOM 299 N PHE A 22 -1.817 11.996 -7.881 1.00 0.00 N ATOM 300 CA PHE A 22 -0.935 10.906 -8.281 1.00 0.00 C ATOM 301 C PHE A 22 -0.371 11.147 -9.678 1.00 0.00 C ATOM 302 O PHE A 22 -1.118 11.301 -10.645 1.00 0.00 O ATOM 303 CB PHE A 22 -1.687 9.574 -8.246 1.00 0.00 C ATOM 304 CG PHE A 22 -1.623 8.884 -6.913 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.566 8.043 -6.603 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.619 9.077 -5.970 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.504 7.407 -5.377 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.562 8.445 -4.742 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.504 7.608 -4.446 1.00 0.00 C ATOM 0 H PHE A 22 -2.750 11.955 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.105 10.866 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.731 9.748 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.275 8.913 -9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.219 7.883 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.450 9.729 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.325 6.754 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.344 8.606 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.459 7.111 -3.488 1.00 0.00 H new ATOM 319 N THR A 23 0.955 11.180 -9.777 1.00 0.00 N ATOM 320 CA THR A 23 1.620 11.405 -11.054 1.00 0.00 C ATOM 321 C THR A 23 1.841 10.092 -11.797 1.00 0.00 C ATOM 322 O THR A 23 1.727 10.035 -13.021 1.00 0.00 O ATOM 323 CB THR A 23 2.977 12.109 -10.864 1.00 0.00 C ATOM 324 OG1 THR A 23 3.873 11.259 -10.139 1.00 0.00 O ATOM 325 CG2 THR A 23 2.805 13.424 -10.121 1.00 0.00 C ATOM 0 H THR A 23 1.589 11.054 -8.988 1.00 0.00 H new ATOM 0 HA THR A 23 0.965 12.047 -11.643 1.00 0.00 H new ATOM 0 HB THR A 23 3.393 12.319 -11.849 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.734 11.713 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.777 13.903 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.146 14.080 -10.690 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.369 13.234 -9.141 1.00 0.00 H new ATOM 333 N GLU A 24 2.158 9.040 -11.049 1.00 0.00 N ATOM 334 CA GLU A 24 2.394 7.727 -11.639 1.00 0.00 C ATOM 335 C GLU A 24 1.776 6.626 -10.783 1.00 0.00 C ATOM 336 O GLU A 24 2.481 5.887 -10.098 1.00 0.00 O ATOM 337 CB GLU A 24 3.896 7.480 -11.801 1.00 0.00 C ATOM 338 CG GLU A 24 4.442 7.912 -13.152 1.00 0.00 C ATOM 339 CD GLU A 24 5.890 8.353 -13.081 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.706 7.616 -12.488 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.208 9.435 -13.617 1.00 0.00 O ATOM 0 H GLU A 24 2.257 9.071 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 24 1.921 7.708 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.430 8.014 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.098 6.418 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.352 7.086 -13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.835 8.730 -13.540 1.00 0.00 H new ATOM 348 N GLY A 25 0.451 6.525 -10.826 1.00 0.00 N ATOM 349 CA GLY A 25 -0.242 5.513 -10.050 1.00 0.00 C ATOM 350 C GLY A 25 0.308 4.121 -10.290 1.00 0.00 C ATOM 351 O GLY A 25 1.027 3.888 -11.263 1.00 0.00 O ATOM 0 H GLY A 25 -0.155 7.126 -11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.162 5.754 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.302 5.530 -10.301 1.00 0.00 H new ATOM 355 N LEU A 26 -0.027 3.192 -9.401 1.00 0.00 N ATOM 356 CA LEU A 26 0.440 1.815 -9.520 1.00 0.00 C ATOM 357 C LEU A 26 0.132 1.253 -10.904 1.00 0.00 C ATOM 358 O LEU A 26 -0.704 1.790 -11.631 1.00 0.00 O ATOM 359 CB LEU A 26 -0.211 0.942 -8.446 1.00 0.00 C ATOM 360 CG LEU A 26 0.007 1.384 -6.998 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.097 0.843 -6.103 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.371 0.929 -6.500 1.00 0.00 C ATOM 0 H LEU A 26 -0.620 3.367 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 26 1.521 1.810 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.284 0.906 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.166 -0.075 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.025 2.473 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.925 1.168 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.061 1.219 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.097 -0.246 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.508 1.253 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.433 -0.158 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.151 1.366 -7.124 1.00 0.00 H new ATOM 374 N ARG A 27 0.811 0.168 -11.261 1.00 0.00 N ATOM 375 CA ARG A 27 0.609 -0.467 -12.557 1.00 0.00 C ATOM 376 C ARG A 27 0.558 -1.986 -12.416 1.00 0.00 C ATOM 377 O ARG A 27 1.107 -2.550 -11.471 1.00 0.00 O ATOM 378 CB ARG A 27 1.728 -0.072 -13.523 1.00 0.00 C ATOM 379 CG ARG A 27 3.081 -0.665 -13.163 1.00 0.00 C ATOM 380 CD ARG A 27 4.216 0.087 -13.839 1.00 0.00 C ATOM 381 NE ARG A 27 5.430 0.092 -13.028 1.00 0.00 N ATOM 382 CZ ARG A 27 5.606 0.879 -11.972 1.00 0.00 C ATOM 383 NH1 ARG A 27 4.650 1.720 -11.603 1.00 0.00 N ATOM 384 NH2 ARG A 27 6.739 0.825 -11.284 1.00 0.00 N ATOM 0 H ARG A 27 1.506 -0.289 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.345 -0.123 -12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.457 -0.391 -14.529 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.811 1.015 -13.545 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.216 -0.635 -12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.110 -1.714 -13.459 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.428 -0.370 -14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.906 1.114 -14.033 1.00 0.00 H new ATOM 0 HE ARG A 27 6.185 -0.544 -13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.778 1.764 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.787 2.323 -10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.476 0.179 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.873 1.430 -10.474 1.00 0.00 H new ATOM 398 N ASN A 28 -0.107 -2.641 -13.362 1.00 0.00 N ATOM 399 CA ASN A 28 -0.231 -4.094 -13.343 1.00 0.00 C ATOM 400 C ASN A 28 1.137 -4.755 -13.207 1.00 0.00 C ATOM 401 O ASN A 28 1.945 -4.728 -14.135 1.00 0.00 O ATOM 402 CB ASN A 28 -0.923 -4.585 -14.616 1.00 0.00 C ATOM 403 CG ASN A 28 -2.207 -3.830 -14.904 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.314 -3.125 -15.907 1.00 0.00 O ATOM 405 ND2 ASN A 28 -3.189 -3.975 -14.021 1.00 0.00 N ATOM 0 H ASN A 28 -0.568 -2.189 -14.151 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.836 -4.370 -12.479 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.243 -4.476 -15.461 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.144 -5.648 -14.520 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.076 -3.491 -14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.056 -4.570 -13.203 1.00 0.00 H new ATOM 412 N GLU A 29 1.389 -5.349 -12.045 1.00 0.00 N ATOM 413 CA GLU A 29 2.659 -6.018 -11.789 1.00 0.00 C ATOM 414 C GLU A 29 2.477 -7.532 -11.736 1.00 0.00 C ATOM 415 O GLU A 29 1.418 -8.026 -11.350 1.00 0.00 O ATOM 416 CB GLU A 29 3.267 -5.520 -10.476 1.00 0.00 C ATOM 417 CG GLU A 29 4.607 -4.826 -10.650 1.00 0.00 C ATOM 418 CD GLU A 29 4.476 -3.456 -11.286 1.00 0.00 C ATOM 419 OE1 GLU A 29 4.379 -3.387 -12.530 1.00 0.00 O ATOM 420 OE2 GLU A 29 4.471 -2.453 -10.542 1.00 0.00 O ATOM 0 H GLU A 29 0.731 -5.381 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 29 3.337 -5.780 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.569 -4.830 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.390 -6.365 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.089 -4.726 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.257 -5.448 -11.266 1.00 0.00 H new ATOM 427 N GLU A 30 3.517 -8.261 -12.126 1.00 0.00 N ATOM 428 CA GLU A 30 3.471 -9.719 -12.124 1.00 0.00 C ATOM 429 C GLU A 30 4.705 -10.302 -11.442 1.00 0.00 C ATOM 430 O GLU A 30 5.820 -9.816 -11.631 1.00 0.00 O ATOM 431 CB GLU A 30 3.368 -10.250 -13.556 1.00 0.00 C ATOM 432 CG GLU A 30 3.424 -11.765 -13.648 1.00 0.00 C ATOM 433 CD GLU A 30 4.826 -12.283 -13.908 1.00 0.00 C ATOM 434 OE1 GLU A 30 5.333 -12.082 -15.031 1.00 0.00 O ATOM 435 OE2 GLU A 30 5.415 -12.888 -12.989 1.00 0.00 O ATOM 0 H GLU A 30 4.401 -7.867 -12.447 1.00 0.00 H new ATOM 0 HA GLU A 30 2.588 -10.028 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.434 -9.902 -13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.178 -9.828 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.048 -12.196 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.763 -12.101 -14.446 1.00 0.00 H new ATOM 442 N ALA A 31 4.496 -11.345 -10.646 1.00 0.00 N ATOM 443 CA ALA A 31 5.591 -11.995 -9.935 1.00 0.00 C ATOM 444 C ALA A 31 5.463 -13.513 -10.002 1.00 0.00 C ATOM 445 O ALA A 31 4.450 -14.043 -10.461 1.00 0.00 O ATOM 446 CB ALA A 31 5.630 -11.530 -8.487 1.00 0.00 C ATOM 0 H ALA A 31 3.579 -11.758 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 31 6.525 -11.713 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.452 -12.023 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.777 -10.450 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.689 -11.783 -7.998 1.00 0.00 H new ATOM 452 N THR A 32 6.498 -14.210 -9.543 1.00 0.00 N ATOM 453 CA THR A 32 6.503 -15.668 -9.553 1.00 0.00 C ATOM 454 C THR A 32 6.498 -16.227 -8.135 1.00 0.00 C ATOM 455 O THR A 32 7.048 -15.619 -7.217 1.00 0.00 O ATOM 456 CB THR A 32 7.727 -16.221 -10.306 1.00 0.00 C ATOM 457 OG1 THR A 32 7.805 -15.637 -11.611 1.00 0.00 O ATOM 458 CG2 THR A 32 7.650 -17.735 -10.426 1.00 0.00 C ATOM 0 H THR A 32 7.344 -13.788 -9.160 1.00 0.00 H new ATOM 0 HA THR A 32 5.596 -15.983 -10.069 1.00 0.00 H new ATOM 0 HB THR A 32 8.621 -15.963 -9.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.587 -15.993 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.525 -18.103 -10.962 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.621 -18.178 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.748 -18.011 -10.972 1.00 0.00 H new ATOM 466 N GLU A 33 5.874 -17.388 -7.963 1.00 0.00 N ATOM 467 CA GLU A 33 5.798 -18.028 -6.655 1.00 0.00 C ATOM 468 C GLU A 33 7.192 -18.235 -6.069 1.00 0.00 C ATOM 469 O GLU A 33 8.125 -18.610 -6.777 1.00 0.00 O ATOM 470 CB GLU A 33 5.073 -19.372 -6.762 1.00 0.00 C ATOM 471 CG GLU A 33 3.955 -19.542 -5.747 1.00 0.00 C ATOM 472 CD GLU A 33 3.727 -20.992 -5.368 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.151 -21.737 -6.188 1.00 0.00 O ATOM 474 OE2 GLU A 33 4.125 -21.382 -4.250 1.00 0.00 O ATOM 0 H GLU A 33 5.414 -17.904 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 33 5.237 -17.372 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.660 -19.474 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.796 -20.177 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.193 -18.969 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.033 -19.128 -6.155 1.00 0.00 H new ATOM 481 N GLY A 34 7.324 -17.986 -4.770 1.00 0.00 N ATOM 482 CA GLY A 34 8.606 -18.149 -4.110 1.00 0.00 C ATOM 483 C GLY A 34 9.585 -17.048 -4.464 1.00 0.00 C ATOM 484 O GLY A 34 10.795 -17.211 -4.312 1.00 0.00 O ATOM 0 H GLY A 34 6.566 -17.674 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.456 -18.164 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.033 -19.113 -4.386 1.00 0.00 H new ATOM 488 N ALA A 35 9.061 -15.923 -4.941 1.00 0.00 N ATOM 489 CA ALA A 35 9.897 -14.791 -5.318 1.00 0.00 C ATOM 490 C ALA A 35 9.608 -13.578 -4.439 1.00 0.00 C ATOM 491 O ALA A 35 8.897 -13.678 -3.439 1.00 0.00 O ATOM 492 CB ALA A 35 9.686 -14.444 -6.784 1.00 0.00 C ATOM 0 H ALA A 35 8.061 -15.772 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 35 10.939 -15.075 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.317 -13.596 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.949 -15.302 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.640 -14.185 -6.950 1.00 0.00 H new ATOM 498 N THR A 36 10.165 -12.432 -4.818 1.00 0.00 N ATOM 499 CA THR A 36 9.969 -11.201 -4.064 1.00 0.00 C ATOM 500 C THR A 36 9.336 -10.119 -4.932 1.00 0.00 C ATOM 501 O THR A 36 9.979 -9.576 -5.830 1.00 0.00 O ATOM 502 CB THR A 36 11.299 -10.673 -3.493 1.00 0.00 C ATOM 503 OG1 THR A 36 11.991 -11.725 -2.813 1.00 0.00 O ATOM 504 CG2 THR A 36 11.056 -9.516 -2.536 1.00 0.00 C ATOM 0 H THR A 36 10.756 -12.331 -5.643 1.00 0.00 H new ATOM 0 HA THR A 36 9.298 -11.440 -3.239 1.00 0.00 H new ATOM 0 HB THR A 36 11.909 -10.315 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.836 -11.382 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.010 -9.160 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.555 -8.705 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.429 -9.852 -1.710 1.00 0.00 H new ATOM 512 N ALA A 37 8.073 -9.810 -4.657 1.00 0.00 N ATOM 513 CA ALA A 37 7.355 -8.790 -5.412 1.00 0.00 C ATOM 514 C ALA A 37 7.383 -7.449 -4.687 1.00 0.00 C ATOM 515 O ALA A 37 7.209 -7.387 -3.470 1.00 0.00 O ATOM 516 CB ALA A 37 5.919 -9.230 -5.659 1.00 0.00 C ATOM 0 H ALA A 37 7.526 -10.251 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 37 7.855 -8.664 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.394 -8.459 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.916 -10.161 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.417 -9.386 -4.704 1.00 0.00 H new ATOM 522 N VAL A 38 7.602 -6.378 -5.442 1.00 0.00 N ATOM 523 CA VAL A 38 7.652 -5.037 -4.871 1.00 0.00 C ATOM 524 C VAL A 38 7.114 -4.001 -5.852 1.00 0.00 C ATOM 525 O VAL A 38 7.597 -3.888 -6.980 1.00 0.00 O ATOM 526 CB VAL A 38 9.088 -4.651 -4.470 1.00 0.00 C ATOM 527 CG1 VAL A 38 10.027 -4.775 -5.661 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.121 -3.241 -3.900 1.00 0.00 C ATOM 0 H VAL A 38 7.748 -6.412 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 38 7.025 -5.049 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 38 9.428 -5.339 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.037 -4.498 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.025 -5.804 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.693 -4.112 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.143 -2.985 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.762 -2.537 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.482 -3.190 -3.019 1.00 0.00 H new ATOM 538 N LEU A 39 6.111 -3.247 -5.416 1.00 0.00 N ATOM 539 CA LEU A 39 5.507 -2.218 -6.256 1.00 0.00 C ATOM 540 C LEU A 39 6.158 -0.862 -6.009 1.00 0.00 C ATOM 541 O LEU A 39 6.745 -0.627 -4.953 1.00 0.00 O ATOM 542 CB LEU A 39 4.003 -2.131 -5.987 1.00 0.00 C ATOM 543 CG LEU A 39 3.183 -3.367 -6.358 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.258 -3.757 -5.215 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.385 -3.115 -7.629 1.00 0.00 C ATOM 0 H LEU A 39 5.699 -3.328 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 39 5.669 -2.493 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.855 -1.926 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.605 -1.277 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 39 3.870 -4.194 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.682 -4.639 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.850 -3.979 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.578 -2.933 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.807 -4.005 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.708 -2.275 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.067 -2.884 -8.447 1.00 0.00 H new ATOM 557 N ARG A 40 6.049 0.029 -6.990 1.00 0.00 N ATOM 558 CA ARG A 40 6.627 1.363 -6.879 1.00 0.00 C ATOM 559 C ARG A 40 5.737 2.399 -7.559 1.00 0.00 C ATOM 560 O ARG A 40 5.226 2.169 -8.656 1.00 0.00 O ATOM 561 CB ARG A 40 8.025 1.389 -7.500 1.00 0.00 C ATOM 562 CG ARG A 40 8.897 0.215 -7.088 1.00 0.00 C ATOM 563 CD ARG A 40 10.355 0.450 -7.451 1.00 0.00 C ATOM 564 NE ARG A 40 11.008 -0.773 -7.910 1.00 0.00 N ATOM 565 CZ ARG A 40 12.308 -0.858 -8.171 1.00 0.00 C ATOM 566 NH1 ARG A 40 13.089 0.202 -8.018 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.829 -2.006 -8.585 1.00 0.00 N ATOM 0 H ARG A 40 5.566 -0.149 -7.870 1.00 0.00 H new ATOM 0 HA ARG A 40 6.702 1.613 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.931 1.397 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.522 2.317 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.810 0.055 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.541 -0.693 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.417 1.209 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.886 0.841 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 40 10.435 -1.607 -8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.692 1.086 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.087 0.134 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.231 -2.824 -8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.827 -2.070 -8.785 1.00 0.00 H new ATOM 581 N CYS A 41 5.555 3.538 -6.900 1.00 0.00 N ATOM 582 CA CYS A 41 4.726 4.609 -7.440 1.00 0.00 C ATOM 583 C CYS A 41 5.260 5.975 -7.021 1.00 0.00 C ATOM 584 O CYS A 41 5.919 6.104 -5.990 1.00 0.00 O ATOM 585 CB CYS A 41 3.279 4.449 -6.970 1.00 0.00 C ATOM 586 SG CYS A 41 3.106 4.186 -5.190 1.00 0.00 S ATOM 0 H CYS A 41 5.970 3.743 -5.991 1.00 0.00 H new ATOM 0 HA CYS A 41 4.757 4.545 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.716 5.339 -7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.828 3.608 -7.496 1.00 0.00 H new ATOM 0 HG CYS A 41 1.847 4.065 -4.890 1.00 0.00 H new ATOM 592 N GLU A 42 4.974 6.991 -7.830 1.00 0.00 N ATOM 593 CA GLU A 42 5.429 8.346 -7.543 1.00 0.00 C ATOM 594 C GLU A 42 4.248 9.261 -7.229 1.00 0.00 C ATOM 595 O GLU A 42 3.154 9.088 -7.766 1.00 0.00 O ATOM 596 CB GLU A 42 6.219 8.904 -8.728 1.00 0.00 C ATOM 597 CG GLU A 42 6.886 10.239 -8.441 1.00 0.00 C ATOM 598 CD GLU A 42 7.693 10.752 -9.617 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.998 9.948 -10.523 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.020 11.957 -9.632 1.00 0.00 O ATOM 0 H GLU A 42 4.430 6.901 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 42 6.079 8.306 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.982 8.181 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.548 9.018 -9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.124 10.973 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.539 10.136 -7.574 1.00 0.00 H new ATOM 607 N LEU A 43 4.478 10.234 -6.355 1.00 0.00 N ATOM 608 CA LEU A 43 3.435 11.177 -5.967 1.00 0.00 C ATOM 609 C LEU A 43 3.798 12.596 -6.393 1.00 0.00 C ATOM 610 O LEU A 43 4.897 12.844 -6.890 1.00 0.00 O ATOM 611 CB LEU A 43 3.212 11.128 -4.455 1.00 0.00 C ATOM 612 CG LEU A 43 2.312 10.002 -3.945 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.505 9.799 -2.450 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.853 10.300 -4.261 1.00 0.00 C ATOM 0 H LEU A 43 5.378 10.391 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 43 2.514 10.890 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.183 11.039 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.783 12.079 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 43 2.592 9.080 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.856 8.994 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.544 9.539 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.253 10.719 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.227 9.488 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.560 11.233 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.726 10.393 -5.340 1.00 0.00 H new ATOM 626 N SER A 44 2.868 13.525 -6.194 1.00 0.00 N ATOM 627 CA SER A 44 3.089 14.919 -6.559 1.00 0.00 C ATOM 628 C SER A 44 3.800 15.668 -5.437 1.00 0.00 C ATOM 629 O SER A 44 4.580 16.588 -5.685 1.00 0.00 O ATOM 630 CB SER A 44 1.758 15.601 -6.880 1.00 0.00 C ATOM 631 OG SER A 44 1.940 16.675 -7.786 1.00 0.00 O ATOM 0 H SER A 44 1.954 13.337 -5.782 1.00 0.00 H new ATOM 0 HA SER A 44 3.723 14.941 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.067 14.874 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.304 15.970 -5.960 1.00 0.00 H new ATOM 0 HG SER A 44 1.074 17.093 -7.976 1.00 0.00 H new ATOM 637 N LYS A 45 3.526 15.268 -4.200 1.00 0.00 N ATOM 638 CA LYS A 45 4.139 15.898 -3.037 1.00 0.00 C ATOM 639 C LYS A 45 4.187 14.933 -1.857 1.00 0.00 C ATOM 640 O LYS A 45 3.314 14.079 -1.706 1.00 0.00 O ATOM 641 CB LYS A 45 3.364 17.159 -2.647 1.00 0.00 C ATOM 642 CG LYS A 45 4.250 18.369 -2.410 1.00 0.00 C ATOM 643 CD LYS A 45 3.829 19.134 -1.167 1.00 0.00 C ATOM 644 CE LYS A 45 4.136 18.351 0.100 1.00 0.00 C ATOM 645 NZ LYS A 45 3.547 18.995 1.307 1.00 0.00 N ATOM 0 H LYS A 45 2.882 14.509 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 45 5.160 16.173 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.647 17.393 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.790 16.957 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.286 18.047 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.206 19.029 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.345 20.094 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.761 19.348 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.748 17.337 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.216 18.268 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.779 18.431 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.937 19.953 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.514 19.051 1.201 1.00 0.00 H new ATOM 659 N MET A 46 5.211 15.077 -1.022 1.00 0.00 N ATOM 660 CA MET A 46 5.371 14.219 0.146 1.00 0.00 C ATOM 661 C MET A 46 4.103 14.215 0.995 1.00 0.00 C ATOM 662 O MET A 46 3.571 15.270 1.337 1.00 0.00 O ATOM 663 CB MET A 46 6.560 14.684 0.988 1.00 0.00 C ATOM 664 CG MET A 46 6.713 13.924 2.296 1.00 0.00 C ATOM 665 SD MET A 46 8.106 14.509 3.280 1.00 0.00 S ATOM 666 CE MET A 46 7.463 16.068 3.883 1.00 0.00 C ATOM 0 H MET A 46 5.942 15.780 -1.133 1.00 0.00 H new ATOM 0 HA MET A 46 5.557 13.203 -0.203 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.474 14.573 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.447 15.746 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.796 14.021 2.877 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.844 12.863 2.082 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.122 16.458 4.658 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.408 16.781 3.061 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.467 15.915 4.298 1.00 0.00 H new ATOM 676 N ALA A 47 3.625 13.021 1.330 1.00 0.00 N ATOM 677 CA ALA A 47 2.421 12.881 2.140 1.00 0.00 C ATOM 678 C ALA A 47 2.204 11.429 2.555 1.00 0.00 C ATOM 679 O ALA A 47 2.745 10.500 1.954 1.00 0.00 O ATOM 680 CB ALA A 47 1.210 13.401 1.380 1.00 0.00 C ATOM 0 H ALA A 47 4.053 12.137 1.053 1.00 0.00 H new ATOM 0 HA ALA A 47 2.551 13.475 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.318 13.290 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.356 14.454 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.087 12.832 0.459 1.00 0.00 H new ATOM 686 N PRO A 48 1.396 11.227 3.606 1.00 0.00 N ATOM 687 CA PRO A 48 1.090 9.891 4.124 1.00 0.00 C ATOM 688 C PRO A 48 0.213 9.086 3.170 1.00 0.00 C ATOM 689 O PRO A 48 -0.694 9.628 2.539 1.00 0.00 O ATOM 690 CB PRO A 48 0.339 10.179 5.426 1.00 0.00 C ATOM 691 CG PRO A 48 -0.254 11.531 5.231 1.00 0.00 C ATOM 692 CD PRO A 48 0.718 12.289 4.369 1.00 0.00 C ATOM 0 HA PRO A 48 1.989 9.290 4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.432 9.432 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.012 10.162 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.230 11.463 4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.402 12.034 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.208 12.993 3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.422 12.865 4.969 1.00 0.00 H new ATOM 700 N VAL A 49 0.489 7.790 3.071 1.00 0.00 N ATOM 701 CA VAL A 49 -0.276 6.910 2.195 1.00 0.00 C ATOM 702 C VAL A 49 -0.814 5.706 2.960 1.00 0.00 C ATOM 703 O VAL A 49 -0.373 5.418 4.072 1.00 0.00 O ATOM 704 CB VAL A 49 0.578 6.413 1.014 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.040 7.584 0.159 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.767 5.609 1.517 1.00 0.00 C ATOM 0 H VAL A 49 1.237 7.326 3.587 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.111 7.495 1.809 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.036 5.760 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.642 7.214 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.171 8.114 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.638 8.264 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.359 5.266 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.384 6.236 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.411 4.748 2.083 1.00 0.00 H new ATOM 716 N GLU A 50 -1.770 5.008 2.356 1.00 0.00 N ATOM 717 CA GLU A 50 -2.369 3.834 2.982 1.00 0.00 C ATOM 718 C GLU A 50 -2.573 2.718 1.962 1.00 0.00 C ATOM 719 O GLU A 50 -3.299 2.883 0.981 1.00 0.00 O ATOM 720 CB GLU A 50 -3.708 4.200 3.627 1.00 0.00 C ATOM 721 CG GLU A 50 -3.570 5.087 4.853 1.00 0.00 C ATOM 722 CD GLU A 50 -4.881 5.732 5.257 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.898 5.489 4.574 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.891 6.480 6.257 1.00 0.00 O ATOM 0 H GLU A 50 -2.146 5.234 1.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.687 3.478 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.330 4.707 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.229 3.285 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.190 4.494 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.833 5.865 4.653 1.00 0.00 H new ATOM 731 N TRP A 51 -1.926 1.583 2.200 1.00 0.00 N ATOM 732 CA TRP A 51 -2.035 0.439 1.301 1.00 0.00 C ATOM 733 C TRP A 51 -3.203 -0.457 1.700 1.00 0.00 C ATOM 734 O TRP A 51 -3.202 -1.051 2.778 1.00 0.00 O ATOM 735 CB TRP A 51 -0.734 -0.366 1.307 1.00 0.00 C ATOM 736 CG TRP A 51 0.453 0.421 0.842 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.215 1.273 1.589 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.012 0.429 -0.476 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.215 1.811 0.814 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.113 1.309 -0.456 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.692 -0.221 -1.671 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.891 1.553 -1.584 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.465 0.022 -2.790 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.555 0.902 -2.740 1.00 0.00 C ATOM 0 H TRP A 51 -1.321 1.430 3.007 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.217 0.815 0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.546 -0.731 2.317 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.854 -1.241 0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.056 1.492 2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.919 2.476 1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.145 -0.902 -1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.730 2.232 -1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.225 -0.474 -3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.141 1.070 -3.631 1.00 0.00 H new ATOM 755 N TRP A 52 -4.197 -0.550 0.824 1.00 0.00 N ATOM 756 CA TRP A 52 -5.372 -1.374 1.085 1.00 0.00 C ATOM 757 C TRP A 52 -5.445 -2.542 0.109 1.00 0.00 C ATOM 758 O TRP A 52 -5.096 -2.408 -1.064 1.00 0.00 O ATOM 759 CB TRP A 52 -6.644 -0.530 0.987 1.00 0.00 C ATOM 760 CG TRP A 52 -6.804 0.438 2.120 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.081 1.577 2.333 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.744 0.351 3.196 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.515 2.203 3.476 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.535 1.471 4.024 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.744 -0.564 3.540 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.289 1.698 5.172 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.490 -0.337 4.680 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.261 0.787 5.485 1.00 0.00 C ATOM 0 H TRP A 52 -4.213 -0.065 -0.073 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.287 -1.774 2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.634 0.021 0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.509 -1.192 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.285 1.933 1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.139 3.072 3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.930 -1.432 2.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.113 2.563 5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.264 -1.038 4.956 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.863 0.937 6.369 1.00 0.00 H new ATOM 779 N LYS A 53 -5.902 -3.690 0.599 1.00 0.00 N ATOM 780 CA LYS A 53 -6.023 -4.883 -0.230 1.00 0.00 C ATOM 781 C LYS A 53 -7.328 -5.616 0.059 1.00 0.00 C ATOM 782 O LYS A 53 -7.412 -6.409 0.996 1.00 0.00 O ATOM 783 CB LYS A 53 -4.836 -5.819 0.010 1.00 0.00 C ATOM 784 CG LYS A 53 -4.649 -6.857 -1.083 1.00 0.00 C ATOM 785 CD LYS A 53 -3.714 -7.970 -0.640 1.00 0.00 C ATOM 786 CE LYS A 53 -4.076 -9.295 -1.294 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.299 -9.895 -0.692 1.00 0.00 N ATOM 0 H LYS A 53 -6.195 -3.819 1.568 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.026 -4.570 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.926 -5.224 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.973 -6.329 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.616 -7.280 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.249 -6.378 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.687 -7.706 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.758 -8.074 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.234 -9.142 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.243 -9.990 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.389 -10.884 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.227 -9.862 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.136 -9.358 -0.998 1.00 0.00 H new ATOM 801 N GLY A 54 -8.346 -5.347 -0.754 1.00 0.00 N ATOM 802 CA GLY A 54 -9.633 -5.991 -0.570 1.00 0.00 C ATOM 803 C GLY A 54 -10.355 -5.499 0.669 1.00 0.00 C ATOM 804 O GLY A 54 -10.678 -6.284 1.561 1.00 0.00 O ATOM 0 H GLY A 54 -8.302 -4.694 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.256 -5.809 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.490 -7.069 -0.499 1.00 0.00 H new ATOM 808 N HIS A 55 -10.609 -4.195 0.726 1.00 0.00 N ATOM 809 CA HIS A 55 -11.296 -3.599 1.866 1.00 0.00 C ATOM 810 C HIS A 55 -10.563 -3.911 3.167 1.00 0.00 C ATOM 811 O HIS A 55 -11.172 -3.973 4.234 1.00 0.00 O ATOM 812 CB HIS A 55 -12.736 -4.109 1.943 1.00 0.00 C ATOM 813 CG HIS A 55 -13.568 -3.736 0.755 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.780 -2.431 0.364 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.241 -4.507 -0.131 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.549 -2.415 -0.710 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.842 -3.662 -1.031 1.00 0.00 N ATOM 0 H HIS A 55 -10.349 -3.531 -0.004 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.308 -2.518 1.727 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.723 -5.195 2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.205 -3.713 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.295 -5.586 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.881 -1.532 -1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.421 -3.951 -1.820 1.00 0.00 H new ATOM 825 N GLU A 56 -9.252 -4.107 3.069 1.00 0.00 N ATOM 826 CA GLU A 56 -8.436 -4.415 4.238 1.00 0.00 C ATOM 827 C GLU A 56 -7.188 -3.538 4.277 1.00 0.00 C ATOM 828 O GLU A 56 -6.539 -3.315 3.255 1.00 0.00 O ATOM 829 CB GLU A 56 -8.036 -5.891 4.234 1.00 0.00 C ATOM 830 CG GLU A 56 -7.220 -6.304 5.448 1.00 0.00 C ATOM 831 CD GLU A 56 -7.992 -6.164 6.745 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.110 -6.712 6.833 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.477 -5.505 7.673 1.00 0.00 O ATOM 0 H GLU A 56 -8.732 -4.058 2.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.031 -4.210 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.937 -6.503 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.461 -6.101 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.899 -7.339 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.318 -5.695 5.499 1.00 0.00 H new ATOM 840 N THR A 57 -6.858 -3.041 5.466 1.00 0.00 N ATOM 841 CA THR A 57 -5.690 -2.187 5.639 1.00 0.00 C ATOM 842 C THR A 57 -4.435 -3.016 5.892 1.00 0.00 C ATOM 843 O THR A 57 -4.464 -3.990 6.646 1.00 0.00 O ATOM 844 CB THR A 57 -5.883 -1.201 6.806 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.244 -1.229 7.251 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.511 0.213 6.387 1.00 0.00 C ATOM 0 H THR A 57 -7.384 -3.216 6.323 1.00 0.00 H new ATOM 0 HA THR A 57 -5.570 -1.624 4.713 1.00 0.00 H new ATOM 0 HB THR A 57 -5.228 -1.506 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.790 -0.659 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.656 0.892 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.467 0.238 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.144 0.525 5.556 1.00 0.00 H new ATOM 854 N LEU A 58 -3.336 -2.625 5.258 1.00 0.00 N ATOM 855 CA LEU A 58 -2.069 -3.332 5.415 1.00 0.00 C ATOM 856 C LEU A 58 -1.156 -2.602 6.394 1.00 0.00 C ATOM 857 O LEU A 58 -1.215 -1.379 6.520 1.00 0.00 O ATOM 858 CB LEU A 58 -1.372 -3.477 4.061 1.00 0.00 C ATOM 859 CG LEU A 58 -2.218 -4.062 2.930 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.565 -3.796 1.582 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.427 -5.555 3.138 1.00 0.00 C ATOM 0 H LEU A 58 -3.296 -1.822 4.630 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.282 -4.323 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.016 -2.494 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.493 -4.107 4.193 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.192 -3.574 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.181 -4.220 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.468 -2.721 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.577 -4.257 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.031 -5.955 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.461 -6.059 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.939 -5.722 4.086 1.00 0.00 H new ATOM 873 N ARG A 59 -0.311 -3.360 7.085 1.00 0.00 N ATOM 874 CA ARG A 59 0.616 -2.785 8.052 1.00 0.00 C ATOM 875 C ARG A 59 2.040 -3.270 7.796 1.00 0.00 C ATOM 876 O ARG A 59 2.272 -4.117 6.933 1.00 0.00 O ATOM 877 CB ARG A 59 0.191 -3.150 9.476 1.00 0.00 C ATOM 878 CG ARG A 59 0.188 -4.645 9.748 1.00 0.00 C ATOM 879 CD ARG A 59 -1.181 -5.255 9.492 1.00 0.00 C ATOM 880 NE ARG A 59 -1.344 -6.537 10.173 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.284 -7.422 9.858 1.00 0.00 C ATOM 882 NH1 ARG A 59 -3.139 -7.165 8.878 1.00 0.00 N ATOM 883 NH2 ARG A 59 -2.369 -8.567 10.523 1.00 0.00 N ATOM 0 H ARG A 59 -0.249 -4.374 6.993 1.00 0.00 H new ATOM 0 HA ARG A 59 0.594 -1.701 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.863 -2.662 10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.808 -2.754 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.929 -5.133 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.482 -4.828 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.954 -4.565 9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.322 -5.393 8.420 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.701 -6.765 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.076 -6.286 8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.860 -7.846 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.712 -8.769 11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.091 -9.245 10.280 1.00 0.00 H new ATOM 897 N ASP A 60 2.989 -2.727 8.550 1.00 0.00 N ATOM 898 CA ASP A 60 4.390 -3.104 8.405 1.00 0.00 C ATOM 899 C ASP A 60 4.707 -4.347 9.230 1.00 0.00 C ATOM 900 O ASP A 60 4.463 -4.384 10.435 1.00 0.00 O ATOM 901 CB ASP A 60 5.298 -1.949 8.831 1.00 0.00 C ATOM 902 CG ASP A 60 5.103 -1.566 10.285 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.958 -1.246 10.665 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.096 -1.585 11.042 1.00 0.00 O ATOM 0 H ASP A 60 2.814 -2.024 9.268 1.00 0.00 H new ATOM 0 HA ASP A 60 4.572 -3.331 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.339 -2.230 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.099 -1.083 8.200 1.00 0.00 H new ATOM 909 N GLY A 61 5.251 -5.366 8.571 1.00 0.00 N ATOM 910 CA GLY A 61 5.591 -6.598 9.259 1.00 0.00 C ATOM 911 C GLY A 61 6.873 -7.217 8.741 1.00 0.00 C ATOM 912 O GLY A 61 7.494 -6.692 7.816 1.00 0.00 O ATOM 0 H GLY A 61 5.462 -5.360 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.693 -6.398 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.775 -7.311 9.145 1.00 0.00 H new ATOM 916 N ASP A 62 7.272 -8.335 9.337 1.00 0.00 N ATOM 917 CA ASP A 62 8.490 -9.027 8.930 1.00 0.00 C ATOM 918 C ASP A 62 8.386 -9.505 7.485 1.00 0.00 C ATOM 919 O ASP A 62 9.395 -9.646 6.794 1.00 0.00 O ATOM 920 CB ASP A 62 8.761 -10.214 9.855 1.00 0.00 C ATOM 921 CG ASP A 62 9.201 -9.781 11.239 1.00 0.00 C ATOM 922 OD1 ASP A 62 9.950 -8.787 11.339 1.00 0.00 O ATOM 923 OD2 ASP A 62 8.797 -10.436 12.223 1.00 0.00 O ATOM 0 H ASP A 62 6.770 -8.782 10.104 1.00 0.00 H new ATOM 0 HA ASP A 62 9.320 -8.324 9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.859 -10.820 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.531 -10.846 9.413 1.00 0.00 H new ATOM 928 N ARG A 63 7.160 -9.753 7.036 1.00 0.00 N ATOM 929 CA ARG A 63 6.925 -10.217 5.674 1.00 0.00 C ATOM 930 C ARG A 63 6.733 -9.039 4.723 1.00 0.00 C ATOM 931 O ARG A 63 7.377 -8.962 3.676 1.00 0.00 O ATOM 932 CB ARG A 63 5.698 -11.129 5.628 1.00 0.00 C ATOM 933 CG ARG A 63 5.973 -12.546 6.105 1.00 0.00 C ATOM 934 CD ARG A 63 4.769 -13.450 5.888 1.00 0.00 C ATOM 935 NE ARG A 63 5.163 -14.798 5.490 1.00 0.00 N ATOM 936 CZ ARG A 63 4.354 -15.850 5.556 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.114 -15.709 6.003 1.00 0.00 N ATOM 938 NH2 ARG A 63 4.786 -17.045 5.174 1.00 0.00 N ATOM 0 H ARG A 63 6.314 -9.640 7.595 1.00 0.00 H new ATOM 0 HA ARG A 63 7.801 -10.781 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.910 -10.694 6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.321 -11.166 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.834 -12.950 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.232 -12.531 7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.183 -13.500 6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.125 -13.019 5.121 1.00 0.00 H new ATOM 0 HE ARG A 63 6.111 -14.940 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.779 -14.792 6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.495 -16.518 6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.740 -17.156 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.165 -17.852 5.225 1.00 0.00 H new ATOM 952 N HIS A 64 5.843 -8.125 5.095 1.00 0.00 N ATOM 953 CA HIS A 64 5.566 -6.950 4.275 1.00 0.00 C ATOM 954 C HIS A 64 6.464 -5.784 4.677 1.00 0.00 C ATOM 955 O HIS A 64 6.449 -5.343 5.826 1.00 0.00 O ATOM 956 CB HIS A 64 4.097 -6.546 4.405 1.00 0.00 C ATOM 957 CG HIS A 64 3.144 -7.588 3.906 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.031 -8.839 4.475 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.254 -7.558 2.887 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.114 -9.534 3.826 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.627 -8.780 2.858 1.00 0.00 N ATOM 0 H HIS A 64 5.301 -8.175 5.958 1.00 0.00 H new ATOM 0 HA HIS A 64 5.774 -7.205 3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.878 -6.336 5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.933 -5.621 3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.071 -6.728 2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.814 -10.547 4.049 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.903 -9.059 2.196 1.00 0.00 H new ATOM 969 N SER A 65 7.245 -5.289 3.722 1.00 0.00 N ATOM 970 CA SER A 65 8.153 -4.176 3.977 1.00 0.00 C ATOM 971 C SER A 65 7.668 -2.909 3.281 1.00 0.00 C ATOM 972 O SER A 65 7.716 -2.803 2.054 1.00 0.00 O ATOM 973 CB SER A 65 9.566 -4.524 3.503 1.00 0.00 C ATOM 974 OG SER A 65 10.327 -5.101 4.549 1.00 0.00 O ATOM 0 H SER A 65 7.267 -5.641 2.765 1.00 0.00 H new ATOM 0 HA SER A 65 8.173 -3.994 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.511 -5.218 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.063 -3.624 3.141 1.00 0.00 H new ATOM 0 HG SER A 65 11.225 -5.316 4.220 1.00 0.00 H new ATOM 980 N LEU A 66 7.202 -1.948 4.071 1.00 0.00 N ATOM 981 CA LEU A 66 6.708 -0.686 3.532 1.00 0.00 C ATOM 982 C LEU A 66 7.790 0.388 3.581 1.00 0.00 C ATOM 983 O LEU A 66 8.259 0.762 4.656 1.00 0.00 O ATOM 984 CB LEU A 66 5.478 -0.222 4.314 1.00 0.00 C ATOM 985 CG LEU A 66 4.158 -0.908 3.958 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.183 -2.367 4.385 1.00 0.00 C ATOM 987 CD2 LEU A 66 2.988 -0.181 4.604 1.00 0.00 C ATOM 0 H LEU A 66 7.156 -2.019 5.087 1.00 0.00 H new ATOM 0 HA LEU A 66 6.430 -0.848 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.669 -0.375 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.359 0.851 4.162 1.00 0.00 H new ATOM 0 HG LEU A 66 4.031 -0.870 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.236 -2.839 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.998 -2.881 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.334 -2.428 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.057 -0.683 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.109 -0.187 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.958 0.849 4.248 1.00 0.00 H new ATOM 999 N ARG A 67 8.180 0.880 2.410 1.00 0.00 N ATOM 1000 CA ARG A 67 9.207 1.912 2.319 1.00 0.00 C ATOM 1001 C ARG A 67 8.661 3.162 1.635 1.00 0.00 C ATOM 1002 O ARG A 67 7.957 3.074 0.630 1.00 0.00 O ATOM 1003 CB ARG A 67 10.421 1.387 1.551 1.00 0.00 C ATOM 1004 CG ARG A 67 10.932 0.049 2.060 1.00 0.00 C ATOM 1005 CD ARG A 67 12.270 -0.311 1.435 1.00 0.00 C ATOM 1006 NE ARG A 67 13.233 -0.772 2.431 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.547 -0.780 2.235 1.00 0.00 C ATOM 1008 NH1 ARG A 67 15.052 -0.355 1.085 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.359 -1.215 3.190 1.00 0.00 N ATOM 0 H ARG A 67 7.801 0.581 1.511 1.00 0.00 H new ATOM 0 HA ARG A 67 9.513 2.176 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.159 1.289 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.225 2.121 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.034 0.086 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.203 -0.729 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.123 -1.089 0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.673 0.559 0.916 1.00 0.00 H new ATOM 0 HE ARG A 67 12.877 -1.106 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.431 -0.021 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.061 -0.362 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.975 -1.544 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.368 -1.221 3.038 1.00 0.00 H new ATOM 1023 N GLN A 68 8.991 4.324 2.189 1.00 0.00 N ATOM 1024 CA GLN A 68 8.533 5.592 1.633 1.00 0.00 C ATOM 1025 C GLN A 68 9.671 6.606 1.579 1.00 0.00 C ATOM 1026 O GLN A 68 10.243 6.968 2.607 1.00 0.00 O ATOM 1027 CB GLN A 68 7.377 6.150 2.465 1.00 0.00 C ATOM 1028 CG GLN A 68 6.239 6.709 1.627 1.00 0.00 C ATOM 1029 CD GLN A 68 5.297 7.584 2.432 1.00 0.00 C ATOM 1030 OE1 GLN A 68 4.933 7.250 3.560 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.896 8.710 1.854 1.00 0.00 N ATOM 0 H GLN A 68 9.573 4.414 3.022 1.00 0.00 H new ATOM 0 HA GLN A 68 8.185 5.409 0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.989 5.360 3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.756 6.936 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.652 7.289 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.677 5.885 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.223 8.947 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.261 9.338 2.347 1.00 0.00 H new ATOM 1040 N ASP A 69 9.995 7.060 0.373 1.00 0.00 N ATOM 1041 CA ASP A 69 11.065 8.033 0.184 1.00 0.00 C ATOM 1042 C ASP A 69 10.511 9.356 -0.334 1.00 0.00 C ATOM 1043 O ASP A 69 10.467 9.592 -1.541 1.00 0.00 O ATOM 1044 CB ASP A 69 12.113 7.488 -0.788 1.00 0.00 C ATOM 1045 CG ASP A 69 13.108 6.567 -0.111 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.267 6.670 1.123 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.729 5.743 -0.815 1.00 0.00 O ATOM 0 H ASP A 69 9.532 6.770 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 69 11.536 8.211 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.612 6.949 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.647 8.321 -1.246 1.00 0.00 H new ATOM 1052 N GLY A 70 10.088 10.216 0.587 1.00 0.00 N ATOM 1053 CA GLY A 70 9.541 11.505 0.204 1.00 0.00 C ATOM 1054 C GLY A 70 8.181 11.385 -0.454 1.00 0.00 C ATOM 1055 O GLY A 70 7.156 11.361 0.226 1.00 0.00 O ATOM 0 H GLY A 70 10.114 10.043 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.459 12.138 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.230 12.000 -0.480 1.00 0.00 H new ATOM 1059 N ALA A 71 8.171 11.310 -1.781 1.00 0.00 N ATOM 1060 CA ALA A 71 6.927 11.192 -2.530 1.00 0.00 C ATOM 1061 C ALA A 71 6.770 9.793 -3.116 1.00 0.00 C ATOM 1062 O ALA A 71 5.658 9.275 -3.222 1.00 0.00 O ATOM 1063 CB ALA A 71 6.874 12.237 -3.634 1.00 0.00 C ATOM 0 H ALA A 71 9.011 11.329 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 71 6.100 11.365 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.939 12.137 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.932 13.233 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.713 12.091 -4.314 1.00 0.00 H new ATOM 1069 N ARG A 72 7.889 9.186 -3.496 1.00 0.00 N ATOM 1070 CA ARG A 72 7.875 7.848 -4.074 1.00 0.00 C ATOM 1071 C ARG A 72 7.672 6.791 -2.992 1.00 0.00 C ATOM 1072 O ARG A 72 8.383 6.773 -1.986 1.00 0.00 O ATOM 1073 CB ARG A 72 9.181 7.579 -4.825 1.00 0.00 C ATOM 1074 CG ARG A 72 9.162 8.054 -6.269 1.00 0.00 C ATOM 1075 CD ARG A 72 10.519 7.876 -6.931 1.00 0.00 C ATOM 1076 NE ARG A 72 11.465 8.913 -6.528 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.744 8.919 -6.884 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.229 7.948 -7.646 1.00 0.00 N ATOM 1079 NH2 ARG A 72 13.543 9.897 -6.477 1.00 0.00 N ATOM 0 H ARG A 72 8.818 9.600 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 72 7.042 7.791 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.000 8.071 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.387 6.509 -4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.408 7.498 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.874 9.105 -6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.923 6.897 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.399 7.896 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 72 11.124 9.674 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.619 7.193 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.212 7.956 -7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.175 10.645 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.525 9.900 -6.751 1.00 0.00 H new ATOM 1093 N CYS A 73 6.697 5.914 -3.205 1.00 0.00 N ATOM 1094 CA CYS A 73 6.399 4.855 -2.248 1.00 0.00 C ATOM 1095 C CYS A 73 6.721 3.485 -2.835 1.00 0.00 C ATOM 1096 O CYS A 73 6.664 3.290 -4.049 1.00 0.00 O ATOM 1097 CB CYS A 73 4.928 4.913 -1.834 1.00 0.00 C ATOM 1098 SG CYS A 73 4.381 6.544 -1.279 1.00 0.00 S ATOM 0 H CYS A 73 6.100 5.916 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 73 7.023 5.008 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.312 4.603 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.758 4.193 -1.034 1.00 0.00 H new ATOM 0 HG CYS A 73 4.898 7.459 -2.044 1.00 0.00 H new ATOM 1104 N GLU A 74 7.061 2.539 -1.965 1.00 0.00 N ATOM 1105 CA GLU A 74 7.395 1.187 -2.399 1.00 0.00 C ATOM 1106 C GLU A 74 6.984 0.161 -1.347 1.00 0.00 C ATOM 1107 O GLU A 74 7.324 0.291 -0.170 1.00 0.00 O ATOM 1108 CB GLU A 74 8.895 1.073 -2.679 1.00 0.00 C ATOM 1109 CG GLU A 74 9.340 1.819 -3.926 1.00 0.00 C ATOM 1110 CD GLU A 74 9.937 3.177 -3.613 1.00 0.00 C ATOM 1111 OE1 GLU A 74 10.917 3.231 -2.841 1.00 0.00 O ATOM 1112 OE2 GLU A 74 9.423 4.186 -4.140 1.00 0.00 O ATOM 0 H GLU A 74 7.112 2.683 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 74 6.845 0.982 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.446 1.456 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.158 0.020 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.075 1.218 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.487 1.946 -4.592 1.00 0.00 H new ATOM 1119 N LEU A 75 6.250 -0.859 -1.780 1.00 0.00 N ATOM 1120 CA LEU A 75 5.791 -1.908 -0.876 1.00 0.00 C ATOM 1121 C LEU A 75 6.363 -3.263 -1.280 1.00 0.00 C ATOM 1122 O LEU A 75 5.944 -3.852 -2.275 1.00 0.00 O ATOM 1123 CB LEU A 75 4.262 -1.969 -0.869 1.00 0.00 C ATOM 1124 CG LEU A 75 3.644 -3.223 -0.251 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.043 -3.350 1.211 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.129 -3.195 -0.391 1.00 0.00 C ATOM 0 H LEU A 75 5.960 -0.982 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 75 6.144 -1.669 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.886 -1.099 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.910 -1.884 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 75 4.023 -4.093 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.594 -4.248 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.128 -3.416 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.693 -2.476 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.706 -4.095 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.733 -2.317 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.862 -3.153 -1.447 1.00 0.00 H new ATOM 1138 N GLN A 76 7.322 -3.750 -0.499 1.00 0.00 N ATOM 1139 CA GLN A 76 7.951 -5.037 -0.775 1.00 0.00 C ATOM 1140 C GLN A 76 7.226 -6.164 -0.046 1.00 0.00 C ATOM 1141 O GLN A 76 6.741 -5.983 1.071 1.00 0.00 O ATOM 1142 CB GLN A 76 9.423 -5.009 -0.359 1.00 0.00 C ATOM 1143 CG GLN A 76 10.128 -6.344 -0.528 1.00 0.00 C ATOM 1144 CD GLN A 76 11.633 -6.232 -0.384 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.207 -6.668 0.615 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.282 -5.644 -1.383 1.00 0.00 N ATOM 0 H GLN A 76 7.680 -3.274 0.329 1.00 0.00 H new ATOM 0 HA GLN A 76 7.887 -5.222 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.944 -4.255 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.491 -4.701 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.747 -7.048 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.890 -6.754 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.767 -5.297 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.296 -5.539 -1.341 1.00 0.00 H new ATOM 1155 N ILE A 77 7.157 -7.327 -0.686 1.00 0.00 N ATOM 1156 CA ILE A 77 6.492 -8.483 -0.099 1.00 0.00 C ATOM 1157 C ILE A 77 7.304 -9.755 -0.318 1.00 0.00 C ATOM 1158 O ILE A 77 7.276 -10.343 -1.400 1.00 0.00 O ATOM 1159 CB ILE A 77 5.082 -8.680 -0.685 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.229 -7.431 -0.452 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.418 -9.903 -0.070 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.002 -7.364 -1.334 1.00 0.00 C ATOM 0 H ILE A 77 7.554 -7.493 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 77 6.408 -8.288 0.970 1.00 0.00 H new ATOM 0 HB ILE A 77 5.171 -8.841 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.918 -7.403 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.840 -6.546 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.422 -10.028 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.017 -10.788 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.338 -9.770 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.445 -6.453 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.306 -7.360 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.369 -8.231 -1.143 1.00 0.00 H new ATOM 1174 N ARG A 78 8.027 -10.175 0.715 1.00 0.00 N ATOM 1175 CA ARG A 78 8.847 -11.377 0.635 1.00 0.00 C ATOM 1176 C ARG A 78 8.030 -12.617 0.988 1.00 0.00 C ATOM 1177 O ARG A 78 7.051 -12.538 1.729 1.00 0.00 O ATOM 1178 CB ARG A 78 10.050 -11.263 1.573 1.00 0.00 C ATOM 1179 CG ARG A 78 11.316 -10.781 0.884 1.00 0.00 C ATOM 1180 CD ARG A 78 12.556 -11.425 1.484 1.00 0.00 C ATOM 1181 NE ARG A 78 13.748 -11.172 0.678 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.882 -11.850 0.811 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.978 -12.818 1.712 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.924 -11.561 0.041 1.00 0.00 N ATOM 0 H ARG A 78 8.061 -9.700 1.617 1.00 0.00 H new ATOM 0 HA ARG A 78 9.202 -11.476 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.804 -10.577 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.241 -12.236 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.263 -11.012 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.389 -9.697 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.712 -11.042 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.400 -12.500 1.572 1.00 0.00 H new ATOM 0 HE ARG A 78 13.707 -10.434 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.179 -13.044 2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.850 -13.337 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.854 -10.817 -0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.795 -12.082 0.144 1.00 0.00 H new ATOM 1198 N GLY A 79 8.439 -13.762 0.449 1.00 0.00 N ATOM 1199 CA GLY A 79 7.733 -15.002 0.718 1.00 0.00 C ATOM 1200 C GLY A 79 6.373 -15.050 0.052 1.00 0.00 C ATOM 1201 O GLY A 79 5.357 -15.269 0.713 1.00 0.00 O ATOM 0 H GLY A 79 9.246 -13.853 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.334 -15.842 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.611 -15.121 1.795 1.00 0.00 H new ATOM 1205 N LEU A 80 6.350 -14.844 -1.261 1.00 0.00 N ATOM 1206 CA LEU A 80 5.103 -14.864 -2.017 1.00 0.00 C ATOM 1207 C LEU A 80 4.402 -16.211 -1.877 1.00 0.00 C ATOM 1208 O LEU A 80 4.909 -17.121 -1.219 1.00 0.00 O ATOM 1209 CB LEU A 80 5.375 -14.569 -3.493 1.00 0.00 C ATOM 1210 CG LEU A 80 5.507 -13.093 -3.870 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.988 -12.949 -5.305 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.182 -12.371 -3.674 1.00 0.00 C ATOM 0 H LEU A 80 7.181 -14.661 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 80 4.449 -14.092 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.293 -15.080 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.569 -15.003 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 80 6.247 -12.636 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.076 -11.892 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.961 -13.429 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.273 -13.423 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.295 -11.322 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.421 -12.830 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.879 -12.443 -2.629 1.00 0.00 H new ATOM 1224 N VAL A 81 3.235 -16.333 -2.500 1.00 0.00 N ATOM 1225 CA VAL A 81 2.465 -17.571 -2.448 1.00 0.00 C ATOM 1226 C VAL A 81 1.377 -17.587 -3.515 1.00 0.00 C ATOM 1227 O VAL A 81 1.513 -18.249 -4.544 1.00 0.00 O ATOM 1228 CB VAL A 81 1.816 -17.769 -1.065 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.612 -18.768 -0.240 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.695 -16.439 -0.338 1.00 0.00 C ATOM 0 H VAL A 81 2.801 -15.590 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 81 3.163 -18.387 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 81 0.813 -18.171 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.139 -18.895 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.640 -19.727 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.629 -18.399 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.234 -16.598 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.686 -16.006 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.077 -15.759 -0.924 1.00 0.00 H new ATOM 1240 N ALA A 82 0.298 -16.853 -3.264 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.813 -16.781 -4.205 1.00 0.00 C ATOM 1242 C ALA A 82 -1.920 -15.875 -3.678 1.00 0.00 C ATOM 1243 O ALA A 82 -2.593 -15.191 -4.448 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.357 -18.174 -4.487 1.00 0.00 C ATOM 0 H ALA A 82 0.170 -16.300 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.442 -16.353 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.186 -18.105 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.568 -18.793 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.707 -18.623 -3.557 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.104 -15.877 -2.361 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.132 -15.055 -1.733 1.00 0.00 C ATOM 1252 C GLU A 83 -2.808 -13.571 -1.880 1.00 0.00 C ATOM 1253 O GLU A 83 -3.706 -12.731 -1.938 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.269 -15.415 -0.252 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.380 -16.411 0.032 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.615 -15.757 0.621 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -6.096 -14.764 0.036 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.099 -16.237 1.667 1.00 0.00 O ATOM 0 H GLU A 83 -1.555 -16.438 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.078 -15.253 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.324 -15.827 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.454 -14.505 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.650 -16.921 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.013 -17.172 0.721 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.518 -13.257 -1.937 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.074 -11.875 -2.077 1.00 0.00 C ATOM 1267 C ASP A 84 -1.626 -11.253 -3.356 1.00 0.00 C ATOM 1268 O ASP A 84 -1.819 -10.041 -3.435 1.00 0.00 O ATOM 1269 CB ASP A 84 0.454 -11.806 -2.081 1.00 0.00 C ATOM 1270 CG ASP A 84 1.057 -12.251 -0.763 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.402 -12.060 0.283 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.184 -12.790 -0.777 1.00 0.00 O ATOM 0 H ASP A 84 -0.762 -13.940 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.454 -11.310 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.841 -12.433 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.768 -10.784 -2.294 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.877 -12.093 -4.355 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.408 -11.626 -5.630 1.00 0.00 C ATOM 1279 C ALA A 85 -3.826 -11.088 -5.470 1.00 0.00 C ATOM 1280 O ALA A 85 -4.697 -11.759 -4.918 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.380 -12.749 -6.657 1.00 0.00 C ATOM 0 H ALA A 85 -1.721 -13.100 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.776 -10.811 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.779 -12.386 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.353 -13.085 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.988 -13.582 -6.302 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.051 -9.871 -5.957 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.365 -9.264 -5.857 1.00 0.00 C ATOM 1289 C GLY A 86 -5.379 -7.829 -6.348 1.00 0.00 C ATOM 1290 O GLY A 86 -4.804 -7.518 -7.390 1.00 0.00 O ATOM 0 H GLY A 86 -3.347 -9.295 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.078 -9.850 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.697 -9.293 -4.819 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.040 -6.955 -5.595 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.129 -5.546 -5.962 1.00 0.00 C ATOM 1296 C GLU A 87 -5.587 -4.658 -4.845 1.00 0.00 C ATOM 1297 O GLU A 87 -6.189 -4.550 -3.776 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.578 -5.167 -6.272 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.737 -3.751 -6.800 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.146 -3.464 -7.282 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.439 -3.746 -8.463 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.955 -2.956 -6.478 1.00 0.00 O ATOM 0 H GLU A 87 -6.521 -7.197 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.522 -5.390 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.979 -5.866 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.175 -5.278 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.474 -3.042 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.037 -3.592 -7.620 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.448 -4.026 -5.101 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.822 -3.149 -4.117 1.00 0.00 C ATOM 1311 C TYR A 88 -4.375 -1.731 -4.221 1.00 0.00 C ATOM 1312 O TYR A 88 -5.039 -1.381 -5.198 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.305 -3.133 -4.309 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.621 -4.397 -3.839 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.748 -5.584 -4.550 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.850 -4.405 -2.684 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.126 -6.741 -4.125 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.222 -5.557 -2.252 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.364 -6.723 -2.975 1.00 0.00 C ATOM 1320 OH TYR A 88 0.258 -7.873 -2.547 1.00 0.00 O ATOM 0 H TYR A 88 -3.938 -4.104 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.051 -3.537 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.083 -2.981 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.888 -2.282 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.344 -5.602 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.739 -3.495 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.235 -7.655 -4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.377 -5.545 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.308 -8.646 -2.751 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.096 -0.919 -3.208 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.564 0.463 -3.184 1.00 0.00 C ATOM 1332 C LEU A 89 -3.506 1.386 -2.586 1.00 0.00 C ATOM 1333 O LEU A 89 -2.512 0.924 -2.025 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.862 0.569 -2.382 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.073 1.120 -3.135 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.298 0.255 -2.881 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.343 2.561 -2.730 1.00 0.00 C ATOM 0 H LEU A 89 -3.548 -1.193 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.753 0.775 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.114 -0.422 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.679 1.204 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.853 1.099 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.150 0.662 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.102 -0.762 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.520 0.244 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.208 2.936 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.542 2.607 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.473 3.174 -2.964 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.729 2.689 -2.709 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.796 3.677 -2.179 1.00 0.00 C ATOM 1351 C CYS A 90 -3.469 5.038 -2.033 1.00 0.00 C ATOM 1352 O CYS A 90 -3.375 5.886 -2.920 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.573 3.795 -3.090 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.064 4.309 -2.238 1.00 0.00 S ATOM 0 H CYS A 90 -4.547 3.086 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.475 3.343 -1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.397 2.832 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.792 4.511 -3.883 1.00 0.00 H new ATOM 0 HG CYS A 90 0.914 4.378 -3.091 1.00 0.00 H new ATOM 1360 N MET A 91 -4.150 5.238 -0.910 1.00 0.00 N ATOM 1361 CA MET A 91 -4.840 6.496 -0.649 1.00 0.00 C ATOM 1362 C MET A 91 -3.890 7.521 -0.037 1.00 0.00 C ATOM 1363 O MET A 91 -3.319 7.291 1.030 1.00 0.00 O ATOM 1364 CB MET A 91 -6.031 6.266 0.284 1.00 0.00 C ATOM 1365 CG MET A 91 -6.920 5.109 -0.140 1.00 0.00 C ATOM 1366 SD MET A 91 -8.599 5.251 0.502 1.00 0.00 S ATOM 1367 CE MET A 91 -8.557 4.049 1.829 1.00 0.00 C ATOM 0 H MET A 91 -4.239 4.546 -0.166 1.00 0.00 H new ATOM 0 HA MET A 91 -5.203 6.886 -1.600 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.661 6.079 1.292 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.629 7.176 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.954 5.062 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.481 4.173 0.206 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.522 4.033 2.336 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.346 3.061 1.419 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.778 4.320 2.541 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.725 8.649 -0.718 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.843 9.708 -0.241 1.00 0.00 C ATOM 1379 C CYS A 92 -3.606 11.019 -0.077 1.00 0.00 C ATOM 1380 O CYS A 92 -3.914 11.696 -1.057 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.674 9.901 -1.208 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.461 11.126 -0.664 1.00 0.00 S ATOM 0 H CYS A 92 -4.190 8.854 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.454 9.411 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.171 8.944 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.066 10.200 -2.180 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.204 10.951 0.598 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.909 11.370 1.169 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.635 12.598 1.438 1.00 0.00 C ATOM 1390 C GLY A 93 -6.079 12.528 0.985 1.00 0.00 C ATOM 1391 O GLY A 93 -6.972 12.221 1.775 1.00 0.00 O ATOM 0 H GLY A 93 -3.665 10.826 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.603 12.809 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.139 13.428 0.934 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.312 12.815 -0.292 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.659 12.784 -0.850 1.00 0.00 C ATOM 1397 C LYS A 94 -7.737 11.818 -2.029 1.00 0.00 C ATOM 1398 O LYS A 94 -8.695 11.057 -2.156 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.080 14.186 -1.297 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.140 15.193 -0.162 1.00 0.00 C ATOM 1401 CD LYS A 94 -8.924 16.433 -0.558 1.00 0.00 C ATOM 1402 CE LYS A 94 -8.170 17.264 -1.586 1.00 0.00 C ATOM 1403 NZ LYS A 94 -8.553 18.702 -1.526 1.00 0.00 N ATOM 0 H LYS A 94 -5.585 13.072 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.340 12.437 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.380 14.543 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.059 14.128 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.603 14.732 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.128 15.478 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.891 16.139 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.121 17.038 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.098 17.166 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.371 16.876 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.018 19.234 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.571 18.798 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.338 19.079 -0.581 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.722 11.855 -2.886 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.677 10.982 -4.054 1.00 0.00 C ATOM 1419 C GLU A 95 -6.412 9.537 -3.642 1.00 0.00 C ATOM 1420 O GLU A 95 -6.141 9.252 -2.476 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.597 11.453 -5.029 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.953 12.738 -5.758 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.300 12.661 -6.450 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.414 11.920 -7.449 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.241 13.344 -5.993 1.00 0.00 O ATOM 0 H GLU A 95 -5.920 12.479 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.647 11.028 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.666 11.601 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.414 10.668 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.960 13.565 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.182 12.959 -6.496 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.492 8.628 -4.609 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.262 7.213 -4.348 1.00 0.00 C ATOM 1434 C ARG A 96 -6.097 6.439 -5.653 1.00 0.00 C ATOM 1435 O ARG A 96 -6.745 6.744 -6.655 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.420 6.627 -3.538 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.789 6.927 -4.127 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.887 6.168 -3.400 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.086 6.981 -3.218 1.00 0.00 N ATOM 1440 CZ ARG A 96 -12.100 6.632 -2.433 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -12.058 5.490 -1.761 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -13.157 7.425 -2.320 1.00 0.00 N ATOM 0 H ARG A 96 -6.714 8.847 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.341 7.121 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.293 5.547 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.377 7.020 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.985 7.998 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.798 6.659 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.140 5.270 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.519 5.842 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.149 7.866 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.247 4.878 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.837 5.224 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.192 8.304 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.934 7.156 -1.717 1.00 0.00 H new ATOM 1456 N THR A 97 -5.226 5.435 -5.634 1.00 0.00 N ATOM 1457 CA THR A 97 -4.974 4.619 -6.815 1.00 0.00 C ATOM 1458 C THR A 97 -4.937 3.137 -6.461 1.00 0.00 C ATOM 1459 O THR A 97 -4.582 2.764 -5.342 1.00 0.00 O ATOM 1460 CB THR A 97 -3.647 5.006 -7.493 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.491 4.278 -8.716 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.467 4.724 -6.575 1.00 0.00 C ATOM 0 H THR A 97 -4.683 5.167 -4.813 1.00 0.00 H new ATOM 0 HA THR A 97 -5.795 4.804 -7.508 1.00 0.00 H new ATOM 0 HB THR A 97 -3.673 6.074 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.546 4.275 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.541 5.006 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.574 5.303 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.440 3.662 -6.333 1.00 0.00 H new ATOM 1470 N SER A 98 -5.306 2.294 -7.420 1.00 0.00 N ATOM 1471 CA SER A 98 -5.317 0.852 -7.208 1.00 0.00 C ATOM 1472 C SER A 98 -4.731 0.121 -8.413 1.00 0.00 C ATOM 1473 O SER A 98 -4.783 0.615 -9.538 1.00 0.00 O ATOM 1474 CB SER A 98 -6.744 0.365 -6.947 1.00 0.00 C ATOM 1475 OG SER A 98 -7.689 1.385 -7.217 1.00 0.00 O ATOM 0 H SER A 98 -5.601 2.585 -8.352 1.00 0.00 H new ATOM 0 HA SER A 98 -4.700 0.633 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.955 -0.504 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.838 0.044 -5.910 1.00 0.00 H new ATOM 0 HG SER A 98 -8.593 1.048 -7.044 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.173 -1.060 -8.166 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.579 -1.861 -9.229 1.00 0.00 C ATOM 1483 C ALA A 99 -3.885 -3.342 -9.037 1.00 0.00 C ATOM 1484 O ALA A 99 -4.328 -3.761 -7.968 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.075 -1.633 -9.284 1.00 0.00 C ATOM 0 H ALA A 99 -4.120 -1.483 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.018 -1.546 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.644 -2.237 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.874 -0.579 -9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.629 -1.919 -8.332 1.00 0.00 H new ATOM 1491 N MET A 100 -3.647 -4.131 -10.080 1.00 0.00 N ATOM 1492 CA MET A 100 -3.897 -5.567 -10.025 1.00 0.00 C ATOM 1493 C MET A 100 -2.587 -6.348 -10.034 1.00 0.00 C ATOM 1494 O MET A 100 -1.873 -6.371 -11.038 1.00 0.00 O ATOM 1495 CB MET A 100 -4.770 -6.000 -11.204 1.00 0.00 C ATOM 1496 CG MET A 100 -6.255 -5.759 -10.981 1.00 0.00 C ATOM 1497 SD MET A 100 -7.239 -7.255 -11.184 1.00 0.00 S ATOM 1498 CE MET A 100 -6.819 -8.143 -9.686 1.00 0.00 C ATOM 0 H MET A 100 -3.282 -3.800 -10.973 1.00 0.00 H new ATOM 0 HA MET A 100 -4.422 -5.783 -9.095 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.453 -5.462 -12.097 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.607 -7.060 -11.396 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.408 -5.362 -9.978 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.605 -5.001 -11.681 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.352 -9.094 -9.665 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.745 -8.328 -9.662 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.105 -7.548 -8.818 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.275 -6.986 -8.911 1.00 0.00 N ATOM 1509 CA LEU A 101 -1.050 -7.768 -8.790 1.00 0.00 C ATOM 1510 C LEU A 101 -1.308 -9.237 -9.108 1.00 0.00 C ATOM 1511 O LEU A 101 -2.299 -9.816 -8.661 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.473 -7.634 -7.379 1.00 0.00 C ATOM 1513 CG LEU A 101 0.864 -8.333 -7.132 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.006 -7.527 -7.731 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.085 -8.549 -5.642 1.00 0.00 C ATOM 0 H LEU A 101 -2.854 -6.977 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.329 -7.381 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.353 -6.574 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.202 -8.027 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 101 0.839 -9.307 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.950 -8.040 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.854 -7.424 -8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.034 -6.539 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.041 -9.048 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.090 -7.586 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.283 -9.168 -5.241 1.00 0.00 H new ATOM 1527 N THR A 102 -0.409 -9.837 -9.882 1.00 0.00 N ATOM 1528 CA THR A 102 -0.539 -11.239 -10.260 1.00 0.00 C ATOM 1529 C THR A 102 0.627 -12.062 -9.724 1.00 0.00 C ATOM 1530 O THR A 102 1.776 -11.623 -9.756 1.00 0.00 O ATOM 1531 CB THR A 102 -0.609 -11.404 -11.790 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.685 -10.621 -12.318 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.806 -12.865 -12.167 1.00 0.00 C ATOM 0 H THR A 102 0.417 -9.374 -10.260 1.00 0.00 H new ATOM 0 HA THR A 102 -1.469 -11.601 -9.820 1.00 0.00 H new ATOM 0 HB THR A 102 0.334 -11.059 -12.215 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.722 -10.730 -13.291 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.853 -12.958 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.029 -13.454 -11.788 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.736 -13.231 -11.731 1.00 0.00 H new ATOM 1541 N VAL A 103 0.323 -13.259 -9.233 1.00 0.00 N ATOM 1542 CA VAL A 103 1.346 -14.146 -8.691 1.00 0.00 C ATOM 1543 C VAL A 103 1.296 -15.515 -9.358 1.00 0.00 C ATOM 1544 O VAL A 103 0.389 -16.308 -9.103 1.00 0.00 O ATOM 1545 CB VAL A 103 1.188 -14.322 -7.169 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.249 -15.268 -6.628 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.257 -12.974 -6.467 1.00 0.00 C ATOM 0 H VAL A 103 -0.624 -13.637 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 103 2.310 -13.680 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 103 0.210 -14.760 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.122 -15.380 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.148 -16.241 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.239 -14.862 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.144 -13.117 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.220 -12.506 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.457 -12.331 -6.834 1.00 0.00 H new ATOM 1557 N ARG A 104 2.276 -15.787 -10.214 1.00 0.00 N ATOM 1558 CA ARG A 104 2.343 -17.062 -10.919 1.00 0.00 C ATOM 1559 C ARG A 104 2.768 -18.183 -9.976 1.00 0.00 C ATOM 1560 O ARG A 104 3.140 -17.936 -8.829 1.00 0.00 O ATOM 1561 CB ARG A 104 3.320 -16.969 -12.092 1.00 0.00 C ATOM 1562 CG ARG A 104 2.968 -15.882 -13.094 1.00 0.00 C ATOM 1563 CD ARG A 104 3.510 -16.203 -14.478 1.00 0.00 C ATOM 1564 NE ARG A 104 4.965 -16.323 -14.481 1.00 0.00 N ATOM 1565 CZ ARG A 104 5.698 -16.348 -15.589 1.00 0.00 C ATOM 1566 NH1 ARG A 104 5.114 -16.261 -16.776 1.00 0.00 N ATOM 1567 NH2 ARG A 104 7.018 -16.460 -15.511 1.00 0.00 N ATOM 0 H ARG A 104 3.034 -15.142 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 104 1.348 -17.290 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.322 -16.784 -11.705 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.349 -17.930 -12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.885 -15.768 -13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.373 -14.929 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.069 -17.134 -14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.209 -15.421 -15.175 1.00 0.00 H new ATOM 0 HE ARG A 104 5.445 -16.391 -13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.100 -16.175 -16.840 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.679 -16.280 -17.625 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.471 -16.527 -14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.579 -16.479 -16.362 1.00 0.00 H new ATOM 1581 N ALA A 105 2.711 -19.417 -10.467 1.00 0.00 N ATOM 1582 CA ALA A 105 3.091 -20.575 -9.669 1.00 0.00 C ATOM 1583 C ALA A 105 4.523 -21.005 -9.973 1.00 0.00 C ATOM 1584 O ALA A 105 5.014 -20.816 -11.085 1.00 0.00 O ATOM 1585 CB ALA A 105 2.128 -21.727 -9.918 1.00 0.00 C ATOM 0 H ALA A 105 2.405 -19.640 -11.414 1.00 0.00 H new ATOM 0 HA ALA A 105 3.039 -20.293 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.424 -22.586 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.118 -21.422 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.151 -21.999 -10.973 1.00 0.00 H new ATOM 1591 N MET A 106 5.186 -21.583 -8.977 1.00 0.00 N ATOM 1592 CA MET A 106 6.561 -22.040 -9.139 1.00 0.00 C ATOM 1593 C MET A 106 6.688 -22.965 -10.345 1.00 0.00 C ATOM 1594 O MET A 106 5.707 -23.528 -10.832 1.00 0.00 O ATOM 1595 CB MET A 106 7.034 -22.762 -7.876 1.00 0.00 C ATOM 1596 CG MET A 106 7.974 -21.931 -7.017 1.00 0.00 C ATOM 1597 SD MET A 106 9.403 -22.870 -6.444 1.00 0.00 S ATOM 1598 CE MET A 106 9.889 -21.908 -5.014 1.00 0.00 C ATOM 0 H MET A 106 4.794 -21.746 -8.050 1.00 0.00 H new ATOM 0 HA MET A 106 7.190 -21.166 -9.306 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.165 -23.044 -7.281 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.537 -23.686 -8.162 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.316 -21.069 -7.589 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.428 -21.546 -6.156 1.00 0.00 H new ATOM 0 HE1 MET A 106 10.719 -22.402 -4.508 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.199 -20.913 -5.333 1.00 0.00 H new ATOM 0 HE3 MET A 106 9.045 -21.823 -4.329 1.00 0.00 H new ATOM 1608 N PRO A 107 7.924 -23.128 -10.840 1.00 0.00 N ATOM 1609 CA PRO A 107 8.208 -23.985 -11.995 1.00 0.00 C ATOM 1610 C PRO A 107 8.036 -25.466 -11.674 1.00 0.00 C ATOM 1611 O PRO A 107 8.884 -26.071 -11.019 1.00 0.00 O ATOM 1612 CB PRO A 107 9.672 -23.674 -12.316 1.00 0.00 C ATOM 1613 CG PRO A 107 10.251 -23.204 -11.027 1.00 0.00 C ATOM 1614 CD PRO A 107 9.140 -22.488 -10.310 1.00 0.00 C ATOM 0 HA PRO A 107 7.526 -23.793 -12.823 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.193 -24.558 -12.685 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.754 -22.910 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.620 -24.042 -10.436 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.097 -22.539 -11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.218 -22.606 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.153 -21.418 -10.516 1.00 0.00 H new ATOM 1622 N SER A 108 6.934 -26.043 -12.142 1.00 0.00 N ATOM 1623 CA SER A 108 6.650 -27.453 -11.901 1.00 0.00 C ATOM 1624 C SER A 108 7.720 -28.339 -12.533 1.00 0.00 C ATOM 1625 O SER A 108 8.011 -29.428 -12.040 1.00 0.00 O ATOM 1626 CB SER A 108 5.273 -27.820 -12.460 1.00 0.00 C ATOM 1627 OG SER A 108 4.424 -26.687 -12.507 1.00 0.00 O ATOM 0 H SER A 108 6.224 -25.557 -12.690 1.00 0.00 H new ATOM 0 HA SER A 108 6.654 -27.620 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.383 -28.238 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 108 4.819 -28.593 -11.840 1.00 0.00 H new ATOM 0 HG SER A 108 3.551 -26.947 -12.869 1.00 0.00 H new ATOM 1633 N GLY A 109 8.302 -27.862 -13.629 1.00 0.00 N ATOM 1634 CA GLY A 109 9.333 -28.621 -14.312 1.00 0.00 C ATOM 1635 C GLY A 109 9.837 -27.924 -15.560 1.00 0.00 C ATOM 1636 O GLY A 109 9.352 -26.858 -15.940 1.00 0.00 O ATOM 0 H GLY A 109 8.078 -26.963 -14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.168 -28.788 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.940 -29.601 -14.581 1.00 0.00 H new ATOM 1640 N PRO A 110 10.834 -28.531 -16.220 1.00 0.00 N ATOM 1641 CA PRO A 110 11.427 -27.979 -17.442 1.00 0.00 C ATOM 1642 C PRO A 110 10.472 -28.042 -18.629 1.00 0.00 C ATOM 1643 O PRO A 110 9.913 -29.096 -18.932 1.00 0.00 O ATOM 1644 CB PRO A 110 12.642 -28.877 -17.684 1.00 0.00 C ATOM 1645 CG PRO A 110 12.300 -30.165 -17.019 1.00 0.00 C ATOM 1646 CD PRO A 110 11.461 -29.804 -15.824 1.00 0.00 C ATOM 0 HA PRO A 110 11.676 -26.923 -17.334 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.824 -29.018 -18.749 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.547 -28.441 -17.261 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.753 -30.821 -17.696 1.00 0.00 H new ATOM 0 HG3 PRO A 110 13.201 -30.699 -16.716 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.715 -30.570 -15.610 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.068 -29.691 -14.926 1.00 0.00 H new ATOM 1654 N SER A 111 10.290 -26.908 -19.297 1.00 0.00 N ATOM 1655 CA SER A 111 9.399 -26.834 -20.450 1.00 0.00 C ATOM 1656 C SER A 111 10.011 -25.977 -21.554 1.00 0.00 C ATOM 1657 O SER A 111 10.261 -24.787 -21.365 1.00 0.00 O ATOM 1658 CB SER A 111 8.042 -26.261 -20.037 1.00 0.00 C ATOM 1659 OG SER A 111 6.980 -27.057 -20.534 1.00 0.00 O ATOM 0 H SER A 111 10.747 -26.028 -19.060 1.00 0.00 H new ATOM 0 HA SER A 111 9.257 -27.844 -20.834 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.982 -26.207 -18.950 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.944 -25.243 -20.413 1.00 0.00 H new ATOM 0 HG SER A 111 6.124 -26.671 -20.255 1.00 0.00 H new ATOM 1665 N SER A 112 10.248 -26.592 -22.709 1.00 0.00 N ATOM 1666 CA SER A 112 10.833 -25.888 -23.844 1.00 0.00 C ATOM 1667 C SER A 112 9.753 -25.199 -24.671 1.00 0.00 C ATOM 1668 O SER A 112 8.673 -25.749 -24.885 1.00 0.00 O ATOM 1669 CB SER A 112 11.622 -26.861 -24.722 1.00 0.00 C ATOM 1670 OG SER A 112 12.218 -27.884 -23.943 1.00 0.00 O ATOM 0 H SER A 112 10.044 -27.576 -22.883 1.00 0.00 H new ATOM 0 HA SER A 112 11.511 -25.127 -23.458 1.00 0.00 H new ATOM 0 HB2 SER A 112 10.959 -27.305 -25.465 1.00 0.00 H new ATOM 0 HB3 SER A 112 12.394 -26.319 -25.268 1.00 0.00 H new ATOM 0 HG SER A 112 12.715 -28.493 -24.528 1.00 0.00 H new ATOM 1676 N GLY A 113 10.053 -23.990 -25.135 1.00 0.00 N ATOM 1677 CA GLY A 113 9.098 -23.244 -25.934 1.00 0.00 C ATOM 1678 C GLY A 113 9.439 -21.769 -26.019 1.00 0.00 C ATOM 1679 O GLY A 113 9.009 -21.078 -26.942 1.00 0.00 O ATOM 0 H GLY A 113 10.940 -23.514 -24.972 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.063 -23.664 -26.939 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.102 -23.359 -25.506 1.00 0.00 H new TER 1683 GLY A 113