USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : 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 35:sc= 0.879 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -120:sc= -0.702 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 21 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0069) USER MOD Single : A 28 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.1!) USER MOD Single : A 29 ASN : amide:sc= -0.647 K(o=-0.65,f=0.35) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.31) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.03 K(o=-3,f=-6.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.98! K(o=-4!,f=-1.6) USER MOD Single : A 62 SER OG : rot 19:sc= 0.0861 USER MOD Single : A 67 GLN : amide:sc= -0.143 K(o=-0.14,f=0.89) USER MOD Single : A 68 HIS : no HE2:sc= -4.08! K(o=-4.1!,f=-2.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 81 SER OG : rot -19:sc= -0.159 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.161 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.087 -6.768 -26.718 1.00 0.00 N ATOM 2 CA GLY A 1 -8.235 -8.212 -26.737 1.00 0.00 C ATOM 3 C GLY A 1 -8.103 -8.826 -25.358 1.00 0.00 C ATOM 4 O GLY A 1 -8.973 -9.579 -24.919 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.185 -6.396 -27.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.821 -6.352 -26.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.148 -6.520 -26.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.209 -8.469 -27.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.482 -8.643 -27.397 1.00 0.00 H new ATOM 8 N SER A 2 -7.010 -8.507 -24.672 1.00 0.00 N ATOM 9 CA SER A 2 -6.763 -9.038 -23.336 1.00 0.00 C ATOM 10 C SER A 2 -6.054 -8.006 -22.464 1.00 0.00 C ATOM 11 O SER A 2 -5.042 -7.431 -22.862 1.00 0.00 O ATOM 12 CB SER A 2 -5.925 -10.315 -23.419 1.00 0.00 C ATOM 13 OG SER A 2 -5.671 -10.842 -22.128 1.00 0.00 O ATOM 0 H SER A 2 -6.281 -7.883 -25.019 1.00 0.00 H new ATOM 0 HA SER A 2 -7.725 -9.273 -22.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.447 -11.058 -24.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.981 -10.103 -23.921 1.00 0.00 H new ATOM 0 HG SER A 2 -5.135 -11.659 -22.208 1.00 0.00 H new ATOM 19 N SER A 3 -6.595 -7.777 -21.271 1.00 0.00 N ATOM 20 CA SER A 3 -6.018 -6.812 -20.343 1.00 0.00 C ATOM 21 C SER A 3 -6.535 -7.045 -18.927 1.00 0.00 C ATOM 22 O SER A 3 -7.410 -7.880 -18.702 1.00 0.00 O ATOM 23 CB SER A 3 -6.343 -5.386 -20.789 1.00 0.00 C ATOM 24 OG SER A 3 -5.376 -4.905 -21.707 1.00 0.00 O ATOM 0 H SER A 3 -7.432 -8.247 -20.925 1.00 0.00 H new ATOM 0 HA SER A 3 -4.936 -6.947 -20.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.330 -5.362 -21.250 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.382 -4.730 -19.920 1.00 0.00 H new ATOM 0 HG SER A 3 -5.068 -5.643 -22.274 1.00 0.00 H new ATOM 30 N GLY A 4 -5.986 -6.298 -17.973 1.00 0.00 N ATOM 31 CA GLY A 4 -6.403 -6.437 -16.590 1.00 0.00 C ATOM 32 C GLY A 4 -5.421 -5.809 -15.622 1.00 0.00 C ATOM 33 O GLY A 4 -4.260 -6.214 -15.554 1.00 0.00 O ATOM 0 H GLY A 4 -5.260 -5.600 -18.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.382 -5.975 -16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.516 -7.495 -16.353 1.00 0.00 H new ATOM 37 N SER A 5 -5.885 -4.815 -14.871 1.00 0.00 N ATOM 38 CA SER A 5 -5.037 -4.125 -13.906 1.00 0.00 C ATOM 39 C SER A 5 -5.460 -4.456 -12.478 1.00 0.00 C ATOM 40 O SER A 5 -6.545 -4.077 -12.037 1.00 0.00 O ATOM 41 CB SER A 5 -5.098 -2.613 -14.131 1.00 0.00 C ATOM 42 OG SER A 5 -4.085 -1.947 -13.397 1.00 0.00 O ATOM 0 H SER A 5 -6.844 -4.470 -14.912 1.00 0.00 H new ATOM 0 HA SER A 5 -4.012 -4.465 -14.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.985 -2.395 -15.193 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.076 -2.237 -13.831 1.00 0.00 H new ATOM 0 HG SER A 5 -4.144 -0.982 -13.559 1.00 0.00 H new ATOM 48 N SER A 6 -4.594 -5.164 -11.760 1.00 0.00 N ATOM 49 CA SER A 6 -4.878 -5.550 -10.383 1.00 0.00 C ATOM 50 C SER A 6 -5.555 -4.410 -9.628 1.00 0.00 C ATOM 51 O SER A 6 -6.626 -4.585 -9.047 1.00 0.00 O ATOM 52 CB SER A 6 -3.587 -5.954 -9.668 1.00 0.00 C ATOM 53 OG SER A 6 -2.626 -4.913 -9.723 1.00 0.00 O ATOM 0 H SER A 6 -3.690 -5.482 -12.109 1.00 0.00 H new ATOM 0 HA SER A 6 -5.556 -6.403 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.805 -6.198 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.179 -6.854 -10.128 1.00 0.00 H new ATOM 0 HG SER A 6 -1.821 -5.235 -10.181 1.00 0.00 H new ATOM 59 N GLY A 7 -4.923 -3.241 -9.642 1.00 0.00 N ATOM 60 CA GLY A 7 -5.478 -2.088 -8.956 1.00 0.00 C ATOM 61 C GLY A 7 -4.405 -1.161 -8.420 1.00 0.00 C ATOM 62 O GLY A 7 -4.004 -1.268 -7.261 1.00 0.00 O ATOM 0 H GLY A 7 -4.036 -3.071 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.121 -1.536 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.106 -2.427 -8.132 1.00 0.00 H new ATOM 66 N VAL A 8 -3.939 -0.247 -9.266 1.00 0.00 N ATOM 67 CA VAL A 8 -2.906 0.703 -8.871 1.00 0.00 C ATOM 68 C VAL A 8 -3.506 1.889 -8.125 1.00 0.00 C ATOM 69 O VAL A 8 -4.536 2.432 -8.527 1.00 0.00 O ATOM 70 CB VAL A 8 -2.123 1.221 -10.092 1.00 0.00 C ATOM 71 CG1 VAL A 8 -3.074 1.802 -11.128 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.092 2.254 -9.664 1.00 0.00 C ATOM 0 H VAL A 8 -4.261 -0.145 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.222 0.170 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.596 0.382 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.503 2.163 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.770 1.030 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.630 2.629 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.548 2.609 -10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.595 3.093 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.393 1.801 -8.961 1.00 0.00 H new ATOM 82 N VAL A 9 -2.856 2.288 -7.036 1.00 0.00 N ATOM 83 CA VAL A 9 -3.325 3.412 -6.234 1.00 0.00 C ATOM 84 C VAL A 9 -2.265 4.504 -6.146 1.00 0.00 C ATOM 85 O VAL A 9 -1.304 4.390 -5.386 1.00 0.00 O ATOM 86 CB VAL A 9 -3.705 2.965 -4.810 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.145 4.158 -3.976 1.00 0.00 C ATOM 88 CG2 VAL A 9 -4.796 1.906 -4.858 1.00 0.00 C ATOM 0 H VAL A 9 -2.003 1.849 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.210 3.808 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.826 2.527 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.410 3.823 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.330 4.879 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.011 4.628 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.052 1.601 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.679 2.316 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.439 1.041 -5.417 1.00 0.00 H new ATOM 98 N GLU A 10 -2.447 5.562 -6.930 1.00 0.00 N ATOM 99 CA GLU A 10 -1.505 6.676 -6.940 1.00 0.00 C ATOM 100 C GLU A 10 -1.938 7.764 -5.962 1.00 0.00 C ATOM 101 O GLU A 10 -2.892 8.500 -6.217 1.00 0.00 O ATOM 102 CB GLU A 10 -1.387 7.259 -8.350 1.00 0.00 C ATOM 103 CG GLU A 10 -0.397 8.407 -8.452 1.00 0.00 C ATOM 104 CD GLU A 10 -0.985 9.728 -7.993 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.652 10.396 -8.810 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.778 10.092 -6.817 1.00 0.00 O ATOM 0 H GLU A 10 -3.237 5.671 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.531 6.298 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.086 6.468 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.368 7.606 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.483 8.177 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.062 8.502 -9.485 1.00 0.00 H new ATOM 113 N LEU A 11 -1.231 7.859 -4.841 1.00 0.00 N ATOM 114 CA LEU A 11 -1.542 8.856 -3.823 1.00 0.00 C ATOM 115 C LEU A 11 -0.431 9.896 -3.723 1.00 0.00 C ATOM 116 O LEU A 11 0.723 9.643 -4.070 1.00 0.00 O ATOM 117 CB LEU A 11 -1.748 8.181 -2.466 1.00 0.00 C ATOM 118 CG LEU A 11 -3.045 7.389 -2.300 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.909 6.371 -1.179 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.213 8.327 -2.033 1.00 0.00 C ATOM 0 H LEU A 11 -0.439 7.258 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.463 9.361 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.910 7.508 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.713 8.948 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.242 6.852 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.842 5.817 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.100 5.679 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.688 6.886 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.128 7.745 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.025 8.892 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.325 9.016 -2.870 1.00 0.00 H new ATOM 132 N PRO A 12 -0.784 11.095 -3.235 1.00 0.00 N ATOM 133 CA PRO A 12 0.170 12.196 -3.075 1.00 0.00 C ATOM 134 C PRO A 12 1.180 11.932 -1.964 1.00 0.00 C ATOM 135 O PRO A 12 0.811 11.544 -0.855 1.00 0.00 O ATOM 136 CB PRO A 12 -0.721 13.388 -2.715 1.00 0.00 C ATOM 137 CG PRO A 12 -1.935 12.781 -2.101 1.00 0.00 C ATOM 138 CD PRO A 12 -2.141 11.466 -2.801 1.00 0.00 C ATOM 0 HA PRO A 12 0.769 12.349 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.220 14.061 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.975 13.974 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.799 12.635 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.802 13.430 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.568 10.718 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.821 11.563 -3.647 1.00 0.00 H new ATOM 146 N LYS A 13 2.456 12.145 -2.267 1.00 0.00 N ATOM 147 CA LYS A 13 3.520 11.932 -1.293 1.00 0.00 C ATOM 148 C LYS A 13 3.907 13.242 -0.615 1.00 0.00 C ATOM 149 O LYS A 13 4.477 14.134 -1.243 1.00 0.00 O ATOM 150 CB LYS A 13 4.745 11.316 -1.973 1.00 0.00 C ATOM 151 CG LYS A 13 5.992 11.328 -1.106 1.00 0.00 C ATOM 152 CD LYS A 13 5.975 10.199 -0.089 1.00 0.00 C ATOM 153 CE LYS A 13 5.317 10.631 1.212 1.00 0.00 C ATOM 154 NZ LYS A 13 6.240 11.435 2.060 1.00 0.00 N ATOM 0 H LYS A 13 2.779 12.465 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 13 3.150 11.245 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.516 10.287 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.949 11.859 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.876 11.237 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.067 12.284 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.440 9.344 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.995 9.871 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.425 11.216 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.991 9.750 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.754 11.710 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.080 10.868 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.531 12.289 1.543 1.00 0.00 H new ATOM 168 N THR A 14 3.596 13.351 0.673 1.00 0.00 N ATOM 169 CA THR A 14 3.911 14.551 1.437 1.00 0.00 C ATOM 170 C THR A 14 3.765 14.304 2.934 1.00 0.00 C ATOM 171 O THR A 14 3.077 13.374 3.355 1.00 0.00 O ATOM 172 CB THR A 14 3.005 15.729 1.031 1.00 0.00 C ATOM 173 OG1 THR A 14 3.350 16.895 1.787 1.00 0.00 O ATOM 174 CG2 THR A 14 1.540 15.388 1.257 1.00 0.00 C ATOM 0 H THR A 14 3.126 12.622 1.209 1.00 0.00 H new ATOM 0 HA THR A 14 4.947 14.805 1.213 1.00 0.00 H new ATOM 0 HB THR A 14 3.156 15.926 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.771 17.640 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.920 16.235 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.273 14.517 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.376 15.167 2.312 1.00 0.00 H new ATOM 182 N ASP A 15 4.415 15.143 3.733 1.00 0.00 N ATOM 183 CA ASP A 15 4.356 15.016 5.185 1.00 0.00 C ATOM 184 C ASP A 15 2.954 14.622 5.639 1.00 0.00 C ATOM 185 O ASP A 15 2.792 13.834 6.570 1.00 0.00 O ATOM 186 CB ASP A 15 4.771 16.330 5.850 1.00 0.00 C ATOM 187 CG ASP A 15 3.619 17.308 5.968 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.099 17.743 4.919 1.00 0.00 O ATOM 189 OD2 ASP A 15 3.236 17.638 7.110 1.00 0.00 O ATOM 0 H ASP A 15 4.989 15.918 3.400 1.00 0.00 H new ATOM 0 HA ASP A 15 5.050 14.231 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.170 16.121 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.575 16.788 5.273 1.00 0.00 H new ATOM 194 N GLU A 16 1.944 15.178 4.976 1.00 0.00 N ATOM 195 CA GLU A 16 0.557 14.886 5.315 1.00 0.00 C ATOM 196 C GLU A 16 0.376 13.406 5.638 1.00 0.00 C ATOM 197 O GLU A 16 -0.289 13.048 6.610 1.00 0.00 O ATOM 198 CB GLU A 16 -0.367 15.284 4.161 1.00 0.00 C ATOM 199 CG GLU A 16 -0.518 16.786 3.993 1.00 0.00 C ATOM 200 CD GLU A 16 -1.437 17.155 2.844 1.00 0.00 C ATOM 201 OE1 GLU A 16 -1.142 16.758 1.697 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.451 17.841 3.092 1.00 0.00 O ATOM 0 H GLU A 16 2.061 15.832 4.202 1.00 0.00 H new ATOM 0 HA GLU A 16 0.295 15.468 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.020 14.860 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.351 14.845 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.908 17.214 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.463 17.230 3.825 1.00 0.00 H new ATOM 209 N GLY A 17 0.972 12.548 4.815 1.00 0.00 N ATOM 210 CA GLY A 17 0.865 11.117 5.030 1.00 0.00 C ATOM 211 C GLY A 17 -0.191 10.477 4.150 1.00 0.00 C ATOM 212 O GLY A 17 -0.942 11.171 3.464 1.00 0.00 O ATOM 0 H GLY A 17 1.527 12.819 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.830 10.650 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.626 10.927 6.076 1.00 0.00 H new ATOM 216 N LEU A 18 -0.248 9.150 4.168 1.00 0.00 N ATOM 217 CA LEU A 18 -1.218 8.415 3.365 1.00 0.00 C ATOM 218 C LEU A 18 -2.435 8.028 4.200 1.00 0.00 C ATOM 219 O LEU A 18 -3.575 8.211 3.776 1.00 0.00 O ATOM 220 CB LEU A 18 -0.574 7.161 2.771 1.00 0.00 C ATOM 221 CG LEU A 18 0.398 7.390 1.613 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.351 7.845 0.370 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.460 8.409 2.001 1.00 0.00 C ATOM 0 H LEU A 18 0.366 8.561 4.730 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.548 9.065 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.043 6.638 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.367 6.497 2.427 1.00 0.00 H new ATOM 0 HG LEU A 18 0.894 6.446 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.357 8.003 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.073 7.081 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.875 8.777 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.143 8.559 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.981 9.355 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.017 8.043 2.863 1.00 0.00 H new ATOM 235 N GLY A 19 -2.183 7.494 5.391 1.00 0.00 N ATOM 236 CA GLY A 19 -3.268 7.092 6.268 1.00 0.00 C ATOM 237 C GLY A 19 -3.533 5.600 6.215 1.00 0.00 C ATOM 238 O GLY A 19 -4.683 5.164 6.276 1.00 0.00 O ATOM 0 H GLY A 19 -1.248 7.333 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.029 7.379 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.175 7.629 5.989 1.00 0.00 H new ATOM 242 N PHE A 20 -2.467 4.815 6.101 1.00 0.00 N ATOM 243 CA PHE A 20 -2.590 3.363 6.037 1.00 0.00 C ATOM 244 C PHE A 20 -1.437 2.687 6.773 1.00 0.00 C ATOM 245 O PHE A 20 -0.313 3.186 6.779 1.00 0.00 O ATOM 246 CB PHE A 20 -2.625 2.896 4.580 1.00 0.00 C ATOM 247 CG PHE A 20 -1.273 2.875 3.926 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.641 4.057 3.573 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.634 1.674 3.663 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.603 4.041 2.970 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.610 1.652 3.061 1.00 0.00 C ATOM 252 CZ PHE A 20 1.228 2.837 2.713 1.00 0.00 C ATOM 0 H PHE A 20 -1.508 5.160 6.051 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.524 3.080 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.056 1.896 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.285 3.552 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.126 5.001 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.114 0.744 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.085 4.969 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.098 0.709 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.199 2.822 2.240 1.00 0.00 H new ATOM 262 N ASN A 21 -1.726 1.547 7.392 1.00 0.00 N ATOM 263 CA ASN A 21 -0.714 0.801 8.132 1.00 0.00 C ATOM 264 C ASN A 21 -0.510 -0.585 7.529 1.00 0.00 C ATOM 265 O ASN A 21 -1.473 -1.268 7.178 1.00 0.00 O ATOM 266 CB ASN A 21 -1.117 0.676 9.603 1.00 0.00 C ATOM 267 CG ASN A 21 -0.942 1.976 10.364 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.303 2.910 9.879 1.00 0.00 O ATOM 269 ND2 ASN A 21 -1.509 2.041 11.562 1.00 0.00 N ATOM 0 H ASN A 21 -2.652 1.120 7.396 1.00 0.00 H new ATOM 0 HA ASN A 21 0.226 1.348 8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.158 0.359 9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.518 -0.102 10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.424 2.890 12.121 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.029 1.242 11.924 1.00 0.00 H new ATOM 276 N ILE A 22 0.749 -0.994 7.413 1.00 0.00 N ATOM 277 CA ILE A 22 1.079 -2.299 6.854 1.00 0.00 C ATOM 278 C ILE A 22 1.892 -3.130 7.841 1.00 0.00 C ATOM 279 O ILE A 22 2.704 -2.596 8.596 1.00 0.00 O ATOM 280 CB ILE A 22 1.869 -2.165 5.539 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.177 -1.410 5.780 1.00 0.00 C ATOM 282 CG2 ILE A 22 1.029 -1.459 4.486 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.217 -1.645 4.707 1.00 0.00 C ATOM 0 H ILE A 22 1.557 -0.441 7.699 1.00 0.00 H new ATOM 0 HA ILE A 22 0.134 -2.803 6.650 1.00 0.00 H new ATOM 0 HB ILE A 22 2.110 -3.163 5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.965 -0.343 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.588 -1.709 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.601 -1.372 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.122 -2.034 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.761 -0.464 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.118 -1.079 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.458 -2.707 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.826 -1.319 3.743 1.00 0.00 H new ATOM 295 N MET A 23 1.670 -4.440 7.827 1.00 0.00 N ATOM 296 CA MET A 23 2.385 -5.346 8.719 1.00 0.00 C ATOM 297 C MET A 23 2.861 -6.585 7.969 1.00 0.00 C ATOM 298 O MET A 23 2.195 -7.059 7.049 1.00 0.00 O ATOM 299 CB MET A 23 1.489 -5.756 9.890 1.00 0.00 C ATOM 300 CG MET A 23 0.271 -6.562 9.469 1.00 0.00 C ATOM 301 SD MET A 23 0.595 -8.336 9.422 1.00 0.00 S ATOM 302 CE MET A 23 -0.595 -8.929 10.621 1.00 0.00 C ATOM 0 H MET A 23 1.001 -4.898 7.208 1.00 0.00 H new ATOM 0 HA MET A 23 3.258 -4.820 9.106 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.075 -6.342 10.598 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.158 -4.860 10.415 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.548 -6.364 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.057 -6.230 8.484 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.518 -10.013 10.705 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.392 -8.474 11.591 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.601 -8.661 10.298 1.00 0.00 H new ATOM 312 N GLY A 24 4.017 -7.106 8.367 1.00 0.00 N ATOM 313 CA GLY A 24 4.562 -8.285 7.721 1.00 0.00 C ATOM 314 C GLY A 24 5.693 -7.954 6.768 1.00 0.00 C ATOM 315 O GLY A 24 5.836 -6.811 6.336 1.00 0.00 O ATOM 0 H GLY A 24 4.586 -6.732 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.923 -8.978 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.769 -8.796 7.175 1.00 0.00 H new ATOM 319 N GLY A 25 6.502 -8.957 6.440 1.00 0.00 N ATOM 320 CA GLY A 25 7.618 -8.746 5.536 1.00 0.00 C ATOM 321 C GLY A 25 8.433 -10.005 5.317 1.00 0.00 C ATOM 322 O GLY A 25 7.913 -11.017 4.847 1.00 0.00 O ATOM 0 H GLY A 25 6.404 -9.912 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.242 -8.389 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.263 -7.964 5.937 1.00 0.00 H new ATOM 326 N LYS A 26 9.716 -9.943 5.657 1.00 0.00 N ATOM 327 CA LYS A 26 10.607 -11.086 5.496 1.00 0.00 C ATOM 328 C LYS A 26 10.652 -11.926 6.769 1.00 0.00 C ATOM 329 O LYS A 26 10.182 -13.063 6.789 1.00 0.00 O ATOM 330 CB LYS A 26 12.016 -10.614 5.134 1.00 0.00 C ATOM 331 CG LYS A 26 12.935 -11.734 4.677 1.00 0.00 C ATOM 332 CD LYS A 26 14.063 -11.209 3.805 1.00 0.00 C ATOM 333 CE LYS A 26 15.290 -12.104 3.881 1.00 0.00 C ATOM 334 NZ LYS A 26 16.055 -11.891 5.140 1.00 0.00 N ATOM 0 H LYS A 26 10.162 -9.112 6.046 1.00 0.00 H new ATOM 0 HA LYS A 26 10.219 -11.705 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.948 -9.866 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.459 -10.123 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.352 -12.241 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.359 -12.475 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.724 -11.142 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.328 -10.200 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.983 -13.148 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.936 -11.907 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.936 -12.443 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.283 -10.881 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.482 -12.200 5.951 1.00 0.00 H new ATOM 348 N GLU A 27 11.218 -11.356 7.828 1.00 0.00 N ATOM 349 CA GLU A 27 11.323 -12.053 9.104 1.00 0.00 C ATOM 350 C GLU A 27 10.002 -12.725 9.467 1.00 0.00 C ATOM 351 O GLU A 27 9.982 -13.857 9.950 1.00 0.00 O ATOM 352 CB GLU A 27 11.733 -11.079 10.211 1.00 0.00 C ATOM 353 CG GLU A 27 13.139 -10.526 10.045 1.00 0.00 C ATOM 354 CD GLU A 27 13.222 -9.454 8.976 1.00 0.00 C ATOM 355 OE1 GLU A 27 12.464 -8.465 9.066 1.00 0.00 O ATOM 356 OE2 GLU A 27 14.045 -9.604 8.049 1.00 0.00 O ATOM 0 H GLU A 27 11.610 -10.415 7.827 1.00 0.00 H new ATOM 0 HA GLU A 27 12.088 -12.823 9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.026 -10.250 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.662 -11.585 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.477 -10.113 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.818 -11.340 9.791 1.00 0.00 H new ATOM 363 N GLN A 28 8.901 -12.019 9.232 1.00 0.00 N ATOM 364 CA GLN A 28 7.576 -12.546 9.535 1.00 0.00 C ATOM 365 C GLN A 28 7.211 -13.681 8.584 1.00 0.00 C ATOM 366 O GLN A 28 6.415 -14.556 8.922 1.00 0.00 O ATOM 367 CB GLN A 28 6.529 -11.435 9.446 1.00 0.00 C ATOM 368 CG GLN A 28 6.654 -10.392 10.546 1.00 0.00 C ATOM 369 CD GLN A 28 6.241 -10.924 11.904 1.00 0.00 C ATOM 370 OE1 GLN A 28 6.899 -11.798 12.468 1.00 0.00 O ATOM 371 NE2 GLN A 28 5.145 -10.397 12.438 1.00 0.00 N ATOM 0 H GLN A 28 8.900 -11.080 8.833 1.00 0.00 H new ATOM 0 HA GLN A 28 7.593 -12.939 10.552 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.616 -10.942 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.535 -11.880 9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.685 -10.043 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.037 -9.529 10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.630 -9.674 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.819 -10.715 13.351 1.00 0.00 H new ATOM 380 N ASN A 29 7.800 -13.660 7.392 1.00 0.00 N ATOM 381 CA ASN A 29 7.535 -14.688 6.391 1.00 0.00 C ATOM 382 C ASN A 29 6.072 -14.666 5.962 1.00 0.00 C ATOM 383 O ASN A 29 5.483 -15.707 5.672 1.00 0.00 O ATOM 384 CB ASN A 29 7.897 -16.069 6.941 1.00 0.00 C ATOM 385 CG ASN A 29 8.166 -17.077 5.840 1.00 0.00 C ATOM 386 OD1 ASN A 29 7.395 -17.193 4.887 1.00 0.00 O ATOM 387 ND2 ASN A 29 9.264 -17.812 5.967 1.00 0.00 N ATOM 0 H ASN A 29 8.463 -12.944 7.096 1.00 0.00 H new ATOM 0 HA ASN A 29 8.153 -14.478 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.779 -15.985 7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.084 -16.431 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.497 -18.507 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.874 -17.682 6.774 1.00 0.00 H new ATOM 394 N SER A 30 5.490 -13.471 5.924 1.00 0.00 N ATOM 395 CA SER A 30 4.094 -13.313 5.534 1.00 0.00 C ATOM 396 C SER A 30 3.950 -12.253 4.447 1.00 0.00 C ATOM 397 O SER A 30 4.796 -11.372 4.288 1.00 0.00 O ATOM 398 CB SER A 30 3.242 -12.934 6.747 1.00 0.00 C ATOM 399 OG SER A 30 3.924 -12.012 7.580 1.00 0.00 O ATOM 0 H SER A 30 5.964 -12.599 6.159 1.00 0.00 H new ATOM 0 HA SER A 30 3.744 -14.266 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.300 -12.499 6.412 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.995 -13.830 7.316 1.00 0.00 H new ATOM 0 HG SER A 30 3.358 -11.784 8.347 1.00 0.00 H new ATOM 405 N PRO A 31 2.854 -12.338 3.679 1.00 0.00 N ATOM 406 CA PRO A 31 2.572 -11.394 2.593 1.00 0.00 C ATOM 407 C PRO A 31 2.221 -10.003 3.110 1.00 0.00 C ATOM 408 O PRO A 31 1.478 -9.862 4.082 1.00 0.00 O ATOM 409 CB PRO A 31 1.370 -12.020 1.882 1.00 0.00 C ATOM 410 CG PRO A 31 0.703 -12.850 2.924 1.00 0.00 C ATOM 411 CD PRO A 31 1.804 -13.362 3.812 1.00 0.00 C ATOM 0 HA PRO A 31 3.437 -11.246 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.697 -11.255 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.684 -12.628 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.015 -12.259 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.151 -13.674 2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.472 -13.465 4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.156 -14.342 3.491 1.00 0.00 H new ATOM 419 N ILE A 32 2.760 -8.980 2.456 1.00 0.00 N ATOM 420 CA ILE A 32 2.501 -7.601 2.849 1.00 0.00 C ATOM 421 C ILE A 32 1.088 -7.175 2.465 1.00 0.00 C ATOM 422 O ILE A 32 0.680 -7.311 1.312 1.00 0.00 O ATOM 423 CB ILE A 32 3.510 -6.633 2.204 1.00 0.00 C ATOM 424 CG1 ILE A 32 4.943 -7.071 2.517 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.267 -5.212 2.690 1.00 0.00 C ATOM 426 CD1 ILE A 32 5.975 -6.469 1.590 1.00 0.00 C ATOM 0 H ILE A 32 3.379 -9.080 1.651 1.00 0.00 H new ATOM 0 HA ILE A 32 2.609 -7.557 3.933 1.00 0.00 H new ATOM 0 HB ILE A 32 3.371 -6.655 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.183 -6.794 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.003 -8.158 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.988 -4.540 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.257 -4.903 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.381 -5.173 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.967 -6.823 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.760 -6.767 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.943 -5.382 1.666 1.00 0.00 H new ATOM 438 N TYR A 33 0.347 -6.658 3.439 1.00 0.00 N ATOM 439 CA TYR A 33 -1.021 -6.212 3.203 1.00 0.00 C ATOM 440 C TYR A 33 -1.422 -5.133 4.204 1.00 0.00 C ATOM 441 O TYR A 33 -0.774 -4.956 5.236 1.00 0.00 O ATOM 442 CB TYR A 33 -1.988 -7.394 3.295 1.00 0.00 C ATOM 443 CG TYR A 33 -1.787 -8.246 4.528 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.169 -7.788 5.783 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.215 -9.509 4.437 1.00 0.00 C ATOM 446 CE1 TYR A 33 -1.987 -8.563 6.912 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.030 -10.292 5.561 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.417 -9.814 6.796 1.00 0.00 C ATOM 449 OH TYR A 33 -1.235 -10.590 7.918 1.00 0.00 O ATOM 0 H TYR A 33 0.671 -6.538 4.399 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.070 -5.788 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.011 -7.017 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.871 -8.018 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.616 -6.809 5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.910 -9.885 3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.289 -8.192 7.880 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.585 -11.272 5.473 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.823 -11.442 7.663 1.00 0.00 H new ATOM 459 N ILE A 34 -2.496 -4.415 3.892 1.00 0.00 N ATOM 460 CA ILE A 34 -2.986 -3.355 4.764 1.00 0.00 C ATOM 461 C ILE A 34 -3.580 -3.928 6.046 1.00 0.00 C ATOM 462 O ILE A 34 -4.604 -4.610 6.017 1.00 0.00 O ATOM 463 CB ILE A 34 -4.050 -2.493 4.060 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.523 -1.994 2.713 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.453 -1.322 4.944 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.281 -1.138 2.829 1.00 0.00 C ATOM 0 H ILE A 34 -3.043 -4.548 3.042 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.129 -2.729 5.011 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.932 -3.107 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.305 -2.852 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.305 -1.420 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.206 -0.722 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.864 -1.698 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.578 -0.706 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.964 -0.820 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.499 -0.261 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.484 -1.715 3.297 1.00 0.00 H new ATOM 478 N SER A 35 -2.930 -3.645 7.171 1.00 0.00 N ATOM 479 CA SER A 35 -3.393 -4.134 8.465 1.00 0.00 C ATOM 480 C SER A 35 -4.502 -3.245 9.017 1.00 0.00 C ATOM 481 O SER A 35 -5.505 -3.735 9.536 1.00 0.00 O ATOM 482 CB SER A 35 -2.230 -4.193 9.457 1.00 0.00 C ATOM 483 OG SER A 35 -1.578 -2.939 9.553 1.00 0.00 O ATOM 0 H SER A 35 -2.082 -3.080 7.212 1.00 0.00 H new ATOM 0 HA SER A 35 -3.793 -5.138 8.324 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.600 -4.490 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.517 -4.954 9.141 1.00 0.00 H new ATOM 0 HG SER A 35 -0.840 -3.002 10.194 1.00 0.00 H new ATOM 489 N ARG A 36 -4.315 -1.934 8.900 1.00 0.00 N ATOM 490 CA ARG A 36 -5.299 -0.975 9.387 1.00 0.00 C ATOM 491 C ARG A 36 -5.300 0.286 8.529 1.00 0.00 C ATOM 492 O ARG A 36 -4.247 0.767 8.110 1.00 0.00 O ATOM 493 CB ARG A 36 -5.009 -0.612 10.845 1.00 0.00 C ATOM 494 CG ARG A 36 -6.103 0.219 11.494 1.00 0.00 C ATOM 495 CD ARG A 36 -5.554 1.080 12.622 1.00 0.00 C ATOM 496 NE ARG A 36 -5.049 0.273 13.730 1.00 0.00 N ATOM 497 CZ ARG A 36 -4.897 0.736 14.966 1.00 0.00 C ATOM 498 NH1 ARG A 36 -5.209 1.993 15.250 1.00 0.00 N ATOM 499 NH2 ARG A 36 -4.432 -0.060 15.921 1.00 0.00 N ATOM 0 H ARG A 36 -3.491 -1.512 8.472 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.284 -1.438 9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.872 -1.529 11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.069 -0.062 10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.571 0.856 10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.880 -0.440 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.753 1.712 12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.338 1.745 12.985 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.800 -0.699 13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.567 2.607 14.519 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.091 2.346 16.200 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.191 -1.028 15.706 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.315 0.296 16.870 1.00 0.00 H new ATOM 513 N VAL A 37 -6.491 0.817 8.269 1.00 0.00 N ATOM 514 CA VAL A 37 -6.630 2.023 7.460 1.00 0.00 C ATOM 515 C VAL A 37 -7.219 3.167 8.278 1.00 0.00 C ATOM 516 O VAL A 37 -8.181 2.980 9.022 1.00 0.00 O ATOM 517 CB VAL A 37 -7.522 1.773 6.230 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.703 3.056 5.432 1.00 0.00 C ATOM 519 CG2 VAL A 37 -6.934 0.673 5.360 1.00 0.00 C ATOM 0 H VAL A 37 -7.373 0.431 8.607 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.630 2.297 7.124 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.503 1.446 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.336 2.860 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.172 3.813 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.730 3.416 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.577 0.510 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.941 0.968 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.862 -0.248 5.938 1.00 0.00 H new ATOM 529 N ILE A 38 -6.635 4.352 8.133 1.00 0.00 N ATOM 530 CA ILE A 38 -7.103 5.527 8.856 1.00 0.00 C ATOM 531 C ILE A 38 -8.501 5.933 8.401 1.00 0.00 C ATOM 532 O ILE A 38 -8.752 6.164 7.218 1.00 0.00 O ATOM 533 CB ILE A 38 -6.148 6.721 8.669 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.724 6.332 9.073 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.627 7.915 9.480 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.614 5.844 10.501 1.00 0.00 C ATOM 0 H ILE A 38 -5.837 4.523 7.521 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.131 5.256 9.912 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.143 7.001 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.365 5.552 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.069 7.193 8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.942 8.750 9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.625 8.203 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.659 7.648 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.578 5.586 10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.942 6.630 11.181 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.243 4.964 10.634 1.00 0.00 H new ATOM 548 N PRO A 39 -9.432 6.023 9.361 1.00 0.00 N ATOM 549 CA PRO A 39 -10.821 6.404 9.084 1.00 0.00 C ATOM 550 C PRO A 39 -10.951 7.869 8.683 1.00 0.00 C ATOM 551 O PRO A 39 -12.057 8.376 8.496 1.00 0.00 O ATOM 552 CB PRO A 39 -11.531 6.149 10.415 1.00 0.00 C ATOM 553 CG PRO A 39 -10.461 6.265 11.445 1.00 0.00 C ATOM 554 CD PRO A 39 -9.203 5.762 10.792 1.00 0.00 C ATOM 0 HA PRO A 39 -11.239 5.843 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.325 6.876 10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.993 5.162 10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.345 7.298 11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.705 5.676 12.329 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.322 6.287 11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.046 4.701 10.987 1.00 0.00 H new ATOM 562 N GLY A 40 -9.814 8.546 8.550 1.00 0.00 N ATOM 563 CA GLY A 40 -9.824 9.946 8.172 1.00 0.00 C ATOM 564 C GLY A 40 -8.508 10.392 7.565 1.00 0.00 C ATOM 565 O GLY A 40 -8.028 11.490 7.844 1.00 0.00 O ATOM 0 H GLY A 40 -8.886 8.149 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.628 10.120 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.041 10.555 9.050 1.00 0.00 H new ATOM 569 N GLY A 41 -7.922 9.537 6.733 1.00 0.00 N ATOM 570 CA GLY A 41 -6.658 9.866 6.100 1.00 0.00 C ATOM 571 C GLY A 41 -6.804 10.127 4.614 1.00 0.00 C ATOM 572 O GLY A 41 -7.898 10.423 4.133 1.00 0.00 O ATOM 0 H GLY A 41 -8.300 8.622 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.233 10.747 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.954 9.048 6.255 1.00 0.00 H new ATOM 576 N VAL A 42 -5.699 10.018 3.884 1.00 0.00 N ATOM 577 CA VAL A 42 -5.709 10.245 2.444 1.00 0.00 C ATOM 578 C VAL A 42 -6.171 9.001 1.694 1.00 0.00 C ATOM 579 O VAL A 42 -6.927 9.091 0.727 1.00 0.00 O ATOM 580 CB VAL A 42 -4.315 10.652 1.930 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.334 10.834 0.420 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.842 11.922 2.622 1.00 0.00 C ATOM 0 H VAL A 42 -4.785 9.774 4.266 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.409 11.059 2.258 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.613 9.853 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.341 11.121 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.626 9.898 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.049 11.613 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.856 12.195 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.544 12.730 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.787 11.752 3.697 1.00 0.00 H new ATOM 592 N ALA A 43 -5.712 7.839 2.148 1.00 0.00 N ATOM 593 CA ALA A 43 -6.080 6.575 1.522 1.00 0.00 C ATOM 594 C ALA A 43 -7.583 6.335 1.613 1.00 0.00 C ATOM 595 O ALA A 43 -8.207 5.876 0.656 1.00 0.00 O ATOM 596 CB ALA A 43 -5.320 5.425 2.167 1.00 0.00 C ATOM 0 H ALA A 43 -5.085 7.747 2.947 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.810 6.628 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.605 4.487 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.248 5.583 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.562 5.379 3.229 1.00 0.00 H new ATOM 602 N ASP A 44 -8.158 6.647 2.769 1.00 0.00 N ATOM 603 CA ASP A 44 -9.589 6.466 2.984 1.00 0.00 C ATOM 604 C ASP A 44 -10.398 7.332 2.024 1.00 0.00 C ATOM 605 O ASP A 44 -11.268 6.837 1.308 1.00 0.00 O ATOM 606 CB ASP A 44 -9.956 6.805 4.430 1.00 0.00 C ATOM 607 CG ASP A 44 -11.405 6.493 4.748 1.00 0.00 C ATOM 608 OD1 ASP A 44 -11.763 5.297 4.769 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.181 7.444 4.976 1.00 0.00 O ATOM 0 H ASP A 44 -7.655 7.026 3.571 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.830 5.421 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.310 6.245 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.767 7.863 4.611 1.00 0.00 H new ATOM 614 N ARG A 45 -10.105 8.629 2.015 1.00 0.00 N ATOM 615 CA ARG A 45 -10.806 9.565 1.145 1.00 0.00 C ATOM 616 C ARG A 45 -10.657 9.162 -0.319 1.00 0.00 C ATOM 617 O ARG A 45 -11.633 9.136 -1.070 1.00 0.00 O ATOM 618 CB ARG A 45 -10.273 10.983 1.352 1.00 0.00 C ATOM 619 CG ARG A 45 -10.597 11.563 2.719 1.00 0.00 C ATOM 620 CD ARG A 45 -10.564 13.083 2.702 1.00 0.00 C ATOM 621 NE ARG A 45 -11.233 13.658 3.866 1.00 0.00 N ATOM 622 CZ ARG A 45 -11.484 14.956 4.002 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.124 15.808 3.052 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.097 15.403 5.091 1.00 0.00 N ATOM 0 H ARG A 45 -9.387 9.055 2.601 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.864 9.541 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.192 10.979 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.689 11.634 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.583 11.223 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.881 11.191 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.529 13.423 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.043 13.446 1.793 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.523 13.029 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.653 15.468 2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.318 16.804 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.376 14.750 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.290 16.399 5.195 1.00 0.00 H new ATOM 638 N HIS A 46 -9.428 8.848 -0.719 1.00 0.00 N ATOM 639 CA HIS A 46 -9.151 8.447 -2.094 1.00 0.00 C ATOM 640 C HIS A 46 -10.075 7.312 -2.525 1.00 0.00 C ATOM 641 O HIS A 46 -10.790 7.424 -3.519 1.00 0.00 O ATOM 642 CB HIS A 46 -7.691 8.014 -2.236 1.00 0.00 C ATOM 643 CG HIS A 46 -7.267 7.797 -3.656 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.465 6.609 -4.328 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.653 8.625 -4.533 1.00 0.00 C ATOM 646 CE1 HIS A 46 -6.990 6.715 -5.556 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.492 7.929 -5.706 1.00 0.00 N ATOM 0 H HIS A 46 -8.609 8.864 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.332 9.305 -2.741 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.050 8.772 -1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.537 7.092 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.347 9.643 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.006 5.941 -6.309 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.058 8.291 -6.555 1.00 0.00 H new ATOM 655 N GLY A 47 -10.053 6.218 -1.769 1.00 0.00 N ATOM 656 CA GLY A 47 -10.892 5.078 -2.090 1.00 0.00 C ATOM 657 C GLY A 47 -10.173 4.051 -2.943 1.00 0.00 C ATOM 658 O GLY A 47 -10.661 3.663 -4.003 1.00 0.00 O ATOM 0 H GLY A 47 -9.469 6.101 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.229 4.607 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.783 5.423 -2.615 1.00 0.00 H new ATOM 662 N GLY A 48 -9.008 3.610 -2.479 1.00 0.00 N ATOM 663 CA GLY A 48 -8.238 2.627 -3.219 1.00 0.00 C ATOM 664 C GLY A 48 -7.539 1.635 -2.312 1.00 0.00 C ATOM 665 O GLY A 48 -7.373 0.467 -2.667 1.00 0.00 O ATOM 0 H GLY A 48 -8.583 3.916 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.899 2.090 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.496 3.138 -3.833 1.00 0.00 H new ATOM 669 N LEU A 49 -7.126 2.099 -1.137 1.00 0.00 N ATOM 670 CA LEU A 49 -6.438 1.244 -0.176 1.00 0.00 C ATOM 671 C LEU A 49 -7.378 0.825 0.950 1.00 0.00 C ATOM 672 O LEU A 49 -7.968 1.667 1.628 1.00 0.00 O ATOM 673 CB LEU A 49 -5.222 1.969 0.403 1.00 0.00 C ATOM 674 CG LEU A 49 -3.942 1.902 -0.430 1.00 0.00 C ATOM 675 CD1 LEU A 49 -2.924 2.914 0.073 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.359 0.497 -0.400 1.00 0.00 C ATOM 0 H LEU A 49 -7.256 3.062 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.104 0.348 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.484 3.017 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.012 1.554 1.389 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.190 2.149 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.019 2.852 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.342 3.918 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.680 2.699 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.448 0.468 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.126 0.222 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.084 -0.207 -0.809 1.00 0.00 H new ATOM 688 N LYS A 50 -7.513 -0.483 1.146 1.00 0.00 N ATOM 689 CA LYS A 50 -8.378 -1.015 2.192 1.00 0.00 C ATOM 690 C LYS A 50 -7.669 -2.115 2.977 1.00 0.00 C ATOM 691 O LYS A 50 -6.712 -2.718 2.492 1.00 0.00 O ATOM 692 CB LYS A 50 -9.671 -1.561 1.583 1.00 0.00 C ATOM 693 CG LYS A 50 -10.677 -0.481 1.224 1.00 0.00 C ATOM 694 CD LYS A 50 -11.796 -1.029 0.354 1.00 0.00 C ATOM 695 CE LYS A 50 -11.330 -1.254 -1.077 1.00 0.00 C ATOM 696 NZ LYS A 50 -11.452 -0.019 -1.900 1.00 0.00 N ATOM 0 H LYS A 50 -7.034 -1.194 0.593 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.621 -0.203 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.428 -2.132 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.130 -2.254 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.098 -0.057 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.171 0.329 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.157 -1.969 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.636 -0.334 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.292 -1.587 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.919 -2.052 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.125 -0.213 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.446 0.285 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.870 0.735 -1.483 1.00 0.00 H new ATOM 710 N ARG A 51 -8.146 -2.370 4.191 1.00 0.00 N ATOM 711 CA ARG A 51 -7.558 -3.398 5.042 1.00 0.00 C ATOM 712 C ARG A 51 -7.712 -4.779 4.412 1.00 0.00 C ATOM 713 O ARG A 51 -8.826 -5.232 4.150 1.00 0.00 O ATOM 714 CB ARG A 51 -8.212 -3.380 6.425 1.00 0.00 C ATOM 715 CG ARG A 51 -7.777 -4.530 7.319 1.00 0.00 C ATOM 716 CD ARG A 51 -8.774 -4.769 8.442 1.00 0.00 C ATOM 717 NE ARG A 51 -8.746 -3.700 9.436 1.00 0.00 N ATOM 718 CZ ARG A 51 -9.271 -3.812 10.651 1.00 0.00 C ATOM 719 NH1 ARG A 51 -9.861 -4.940 11.021 1.00 0.00 N ATOM 720 NH2 ARG A 51 -9.206 -2.793 11.499 1.00 0.00 N ATOM 0 H ARG A 51 -8.937 -1.879 4.607 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.495 -3.183 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.974 -2.437 6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.295 -3.413 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.674 -5.437 6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.796 -4.313 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.778 -4.849 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.553 -5.720 8.926 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.299 -2.819 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.913 -5.725 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.263 -5.023 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.753 -1.924 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.609 -2.879 12.432 1.00 0.00 H new ATOM 734 N GLY A 52 -6.586 -5.444 4.173 1.00 0.00 N ATOM 735 CA GLY A 52 -6.618 -6.766 3.576 1.00 0.00 C ATOM 736 C GLY A 52 -5.850 -6.832 2.270 1.00 0.00 C ATOM 737 O GLY A 52 -5.220 -7.844 1.963 1.00 0.00 O ATOM 0 H GLY A 52 -5.652 -5.091 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.199 -7.488 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.654 -7.057 3.400 1.00 0.00 H new ATOM 741 N ASP A 53 -5.903 -5.751 1.500 1.00 0.00 N ATOM 742 CA ASP A 53 -5.208 -5.690 0.220 1.00 0.00 C ATOM 743 C ASP A 53 -3.739 -6.071 0.380 1.00 0.00 C ATOM 744 O ASP A 53 -3.073 -5.630 1.316 1.00 0.00 O ATOM 745 CB ASP A 53 -5.320 -4.287 -0.380 1.00 0.00 C ATOM 746 CG ASP A 53 -6.760 -3.862 -0.591 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.534 -4.656 -1.165 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.113 -2.735 -0.184 1.00 0.00 O ATOM 0 H ASP A 53 -6.420 -4.905 1.740 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.679 -6.404 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.826 -3.573 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.792 -4.259 -1.333 1.00 0.00 H new ATOM 753 N GLN A 54 -3.243 -6.894 -0.538 1.00 0.00 N ATOM 754 CA GLN A 54 -1.854 -7.335 -0.496 1.00 0.00 C ATOM 755 C GLN A 54 -0.980 -6.471 -1.399 1.00 0.00 C ATOM 756 O GLN A 54 -1.180 -6.425 -2.614 1.00 0.00 O ATOM 757 CB GLN A 54 -1.750 -8.802 -0.919 1.00 0.00 C ATOM 758 CG GLN A 54 -0.533 -9.514 -0.350 1.00 0.00 C ATOM 759 CD GLN A 54 0.755 -9.106 -1.036 1.00 0.00 C ATOM 760 OE1 GLN A 54 0.736 -8.482 -2.098 1.00 0.00 O ATOM 761 NE2 GLN A 54 1.885 -9.456 -0.432 1.00 0.00 N ATOM 0 H GLN A 54 -3.782 -7.269 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.498 -7.233 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.650 -9.328 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.717 -8.856 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.456 -9.299 0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.668 -10.591 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.855 -9.973 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.783 -9.208 -0.847 1.00 0.00 H new ATOM 770 N LEU A 55 -0.013 -5.787 -0.799 1.00 0.00 N ATOM 771 CA LEU A 55 0.892 -4.923 -1.549 1.00 0.00 C ATOM 772 C LEU A 55 1.743 -5.737 -2.519 1.00 0.00 C ATOM 773 O LEU A 55 2.545 -6.575 -2.106 1.00 0.00 O ATOM 774 CB LEU A 55 1.795 -4.143 -0.592 1.00 0.00 C ATOM 775 CG LEU A 55 2.594 -2.995 -1.209 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.680 -1.825 -1.539 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.708 -2.555 -0.270 1.00 0.00 C ATOM 0 H LEU A 55 0.165 -5.814 0.205 1.00 0.00 H new ATOM 0 HA LEU A 55 0.290 -4.220 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.178 -3.739 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.495 -4.842 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 55 3.046 -3.349 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.266 -1.017 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.919 -2.147 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.199 -1.471 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.266 -1.737 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.277 -2.219 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.379 -3.393 -0.084 1.00 0.00 H new ATOM 789 N LEU A 56 1.565 -5.482 -3.811 1.00 0.00 N ATOM 790 CA LEU A 56 2.318 -6.189 -4.841 1.00 0.00 C ATOM 791 C LEU A 56 3.619 -5.461 -5.161 1.00 0.00 C ATOM 792 O LEU A 56 4.709 -5.985 -4.927 1.00 0.00 O ATOM 793 CB LEU A 56 1.475 -6.332 -6.110 1.00 0.00 C ATOM 794 CG LEU A 56 0.163 -7.102 -5.961 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.604 -7.109 -7.274 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.429 -8.524 -5.489 1.00 0.00 C ATOM 0 H LEU A 56 0.906 -4.791 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 56 2.562 -7.181 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.247 -5.334 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.079 -6.827 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.447 -6.600 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.535 -7.662 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.827 -6.084 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.000 -7.586 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.517 -9.057 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.059 -9.037 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.935 -8.498 -4.524 1.00 0.00 H new ATOM 808 N SER A 57 3.498 -4.250 -5.694 1.00 0.00 N ATOM 809 CA SER A 57 4.665 -3.449 -6.047 1.00 0.00 C ATOM 810 C SER A 57 4.447 -1.983 -5.687 1.00 0.00 C ATOM 811 O SER A 57 3.313 -1.508 -5.628 1.00 0.00 O ATOM 812 CB SER A 57 4.967 -3.580 -7.541 1.00 0.00 C ATOM 813 OG SER A 57 3.954 -2.968 -8.321 1.00 0.00 O ATOM 0 H SER A 57 2.603 -3.801 -5.891 1.00 0.00 H new ATOM 0 HA SER A 57 5.516 -3.822 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.930 -3.119 -7.763 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.049 -4.634 -7.808 1.00 0.00 H new ATOM 0 HG SER A 57 4.171 -3.064 -9.272 1.00 0.00 H new ATOM 819 N VAL A 58 5.543 -1.270 -5.448 1.00 0.00 N ATOM 820 CA VAL A 58 5.474 0.143 -5.095 1.00 0.00 C ATOM 821 C VAL A 58 6.449 0.966 -5.928 1.00 0.00 C ATOM 822 O VAL A 58 7.599 0.575 -6.122 1.00 0.00 O ATOM 823 CB VAL A 58 5.778 0.364 -3.601 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.650 1.836 -3.242 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.857 -0.486 -2.738 1.00 0.00 C ATOM 0 H VAL A 58 6.489 -1.648 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 58 4.456 0.472 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 58 6.806 0.056 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.868 1.973 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.355 2.418 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.635 2.174 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.086 -0.317 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.820 -0.211 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.004 -1.539 -2.977 1.00 0.00 H new ATOM 835 N ASN A 59 5.982 2.109 -6.419 1.00 0.00 N ATOM 836 CA ASN A 59 6.813 2.989 -7.232 1.00 0.00 C ATOM 837 C ASN A 59 7.440 2.224 -8.394 1.00 0.00 C ATOM 838 O ASN A 59 8.548 2.535 -8.830 1.00 0.00 O ATOM 839 CB ASN A 59 7.909 3.625 -6.375 1.00 0.00 C ATOM 840 CG ASN A 59 7.398 4.795 -5.557 1.00 0.00 C ATOM 841 OD1 ASN A 59 6.920 5.789 -6.106 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.496 4.683 -4.238 1.00 0.00 N ATOM 0 H ASN A 59 5.032 2.448 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 59 6.177 3.775 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.326 2.872 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.720 3.963 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.168 5.439 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.899 3.841 -3.826 1.00 0.00 H new ATOM 849 N GLY A 60 6.722 1.222 -8.892 1.00 0.00 N ATOM 850 CA GLY A 60 7.223 0.428 -9.998 1.00 0.00 C ATOM 851 C GLY A 60 8.295 -0.554 -9.569 1.00 0.00 C ATOM 852 O GLY A 60 9.177 -0.903 -10.353 1.00 0.00 O ATOM 0 H GLY A 60 5.802 0.946 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.396 -0.117 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.627 1.091 -10.763 1.00 0.00 H new ATOM 856 N VAL A 61 8.220 -1.000 -8.319 1.00 0.00 N ATOM 857 CA VAL A 61 9.192 -1.948 -7.786 1.00 0.00 C ATOM 858 C VAL A 61 8.498 -3.114 -7.091 1.00 0.00 C ATOM 859 O VAL A 61 7.560 -2.920 -6.318 1.00 0.00 O ATOM 860 CB VAL A 61 10.150 -1.268 -6.790 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.083 -2.293 -6.162 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.941 -0.167 -7.480 1.00 0.00 C ATOM 0 H VAL A 61 7.497 -0.720 -7.657 1.00 0.00 H new ATOM 0 HA VAL A 61 9.766 -2.323 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 61 9.558 -0.815 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.753 -1.794 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.496 -3.043 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.670 -2.777 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.613 0.303 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.524 -0.594 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.254 0.580 -7.877 1.00 0.00 H new ATOM 872 N SER A 62 8.966 -4.326 -7.372 1.00 0.00 N ATOM 873 CA SER A 62 8.388 -5.525 -6.777 1.00 0.00 C ATOM 874 C SER A 62 8.784 -5.647 -5.308 1.00 0.00 C ATOM 875 O SER A 62 9.957 -5.522 -4.957 1.00 0.00 O ATOM 876 CB SER A 62 8.841 -6.769 -7.544 1.00 0.00 C ATOM 877 OG SER A 62 10.239 -6.966 -7.418 1.00 0.00 O ATOM 0 H SER A 62 9.744 -4.503 -8.008 1.00 0.00 H new ATOM 0 HA SER A 62 7.303 -5.444 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.312 -7.645 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.579 -6.666 -8.597 1.00 0.00 H new ATOM 0 HG SER A 62 10.572 -6.461 -6.647 1.00 0.00 H new ATOM 883 N VAL A 63 7.795 -5.893 -4.455 1.00 0.00 N ATOM 884 CA VAL A 63 8.038 -6.033 -3.024 1.00 0.00 C ATOM 885 C VAL A 63 7.658 -7.427 -2.536 1.00 0.00 C ATOM 886 O VAL A 63 8.171 -7.901 -1.523 1.00 0.00 O ATOM 887 CB VAL A 63 7.250 -4.986 -2.215 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.704 -3.580 -2.577 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.755 -5.149 -2.447 1.00 0.00 C ATOM 0 H VAL A 63 6.818 -5.999 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 63 9.105 -5.874 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 63 7.449 -5.145 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.136 -2.853 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.766 -3.472 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.536 -3.406 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.213 -4.401 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.535 -5.017 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.445 -6.146 -2.133 1.00 0.00 H new ATOM 899 N GLU A 64 6.756 -8.077 -3.264 1.00 0.00 N ATOM 900 CA GLU A 64 6.308 -9.417 -2.904 1.00 0.00 C ATOM 901 C GLU A 64 7.469 -10.258 -2.381 1.00 0.00 C ATOM 902 O GLU A 64 7.296 -11.088 -1.490 1.00 0.00 O ATOM 903 CB GLU A 64 5.669 -10.107 -4.112 1.00 0.00 C ATOM 904 CG GLU A 64 4.474 -9.359 -4.678 1.00 0.00 C ATOM 905 CD GLU A 64 4.860 -8.385 -5.775 1.00 0.00 C ATOM 906 OE1 GLU A 64 6.030 -7.948 -5.793 1.00 0.00 O ATOM 907 OE2 GLU A 64 3.994 -8.061 -6.613 1.00 0.00 O ATOM 0 H GLU A 64 6.322 -7.698 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 64 5.565 -9.322 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.420 -10.220 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.356 -11.110 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.754 -10.077 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.976 -8.816 -3.874 1.00 0.00 H new ATOM 914 N GLY A 65 8.653 -10.035 -2.942 1.00 0.00 N ATOM 915 CA GLY A 65 9.826 -10.779 -2.520 1.00 0.00 C ATOM 916 C GLY A 65 10.910 -9.882 -1.957 1.00 0.00 C ATOM 917 O GLY A 65 12.062 -9.947 -2.385 1.00 0.00 O ATOM 0 H GLY A 65 8.821 -9.353 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.536 -11.511 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.224 -11.336 -3.368 1.00 0.00 H new ATOM 921 N GLU A 66 10.541 -9.040 -0.997 1.00 0.00 N ATOM 922 CA GLU A 66 11.492 -8.124 -0.377 1.00 0.00 C ATOM 923 C GLU A 66 11.132 -7.872 1.084 1.00 0.00 C ATOM 924 O GLU A 66 10.046 -8.234 1.537 1.00 0.00 O ATOM 925 CB GLU A 66 11.529 -6.799 -1.141 1.00 0.00 C ATOM 926 CG GLU A 66 12.247 -6.886 -2.477 1.00 0.00 C ATOM 927 CD GLU A 66 13.673 -7.382 -2.342 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.388 -6.896 -1.440 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.075 -8.256 -3.138 1.00 0.00 O ATOM 0 H GLU A 66 9.591 -8.973 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 66 12.479 -8.585 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.508 -6.458 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.019 -6.047 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.695 -7.554 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.251 -5.903 -2.947 1.00 0.00 H new ATOM 936 N GLN A 67 12.051 -7.251 1.815 1.00 0.00 N ATOM 937 CA GLN A 67 11.831 -6.951 3.225 1.00 0.00 C ATOM 938 C GLN A 67 10.838 -5.806 3.390 1.00 0.00 C ATOM 939 O GLN A 67 10.617 -5.024 2.465 1.00 0.00 O ATOM 940 CB GLN A 67 13.155 -6.597 3.905 1.00 0.00 C ATOM 941 CG GLN A 67 13.106 -6.699 5.421 1.00 0.00 C ATOM 942 CD GLN A 67 14.455 -6.451 6.067 1.00 0.00 C ATOM 943 OE1 GLN A 67 15.001 -7.322 6.745 1.00 0.00 O ATOM 944 NE2 GLN A 67 15.001 -5.259 5.858 1.00 0.00 N ATOM 0 H GLN A 67 12.955 -6.946 1.455 1.00 0.00 H new ATOM 0 HA GLN A 67 11.414 -7.839 3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.935 -7.259 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.437 -5.582 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.385 -5.978 5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.749 -7.689 5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.513 -4.567 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.909 -5.035 6.266 1.00 0.00 H new ATOM 953 N HIS A 68 10.241 -5.713 4.574 1.00 0.00 N ATOM 954 CA HIS A 68 9.271 -4.662 4.861 1.00 0.00 C ATOM 955 C HIS A 68 9.906 -3.282 4.714 1.00 0.00 C ATOM 956 O HIS A 68 9.385 -2.422 4.005 1.00 0.00 O ATOM 957 CB HIS A 68 8.707 -4.830 6.272 1.00 0.00 C ATOM 958 CG HIS A 68 7.673 -3.807 6.629 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.513 -4.115 7.308 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.629 -2.474 6.399 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.800 -3.017 7.479 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.456 -2.006 6.937 1.00 0.00 N ATOM 0 H HIS A 68 10.412 -6.353 5.350 1.00 0.00 H new ATOM 0 HA HIS A 68 8.457 -4.746 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.270 -5.824 6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.525 -4.774 6.990 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.247 -5.046 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.378 -1.887 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.844 -2.956 7.977 1.00 0.00 H new ATOM 970 N GLU A 69 11.032 -3.079 5.390 1.00 0.00 N ATOM 971 CA GLU A 69 11.736 -1.803 5.336 1.00 0.00 C ATOM 972 C GLU A 69 11.665 -1.202 3.935 1.00 0.00 C ATOM 973 O GLU A 69 11.393 -0.012 3.770 1.00 0.00 O ATOM 974 CB GLU A 69 13.197 -1.983 5.752 1.00 0.00 C ATOM 975 CG GLU A 69 13.369 -2.406 7.202 1.00 0.00 C ATOM 976 CD GLU A 69 14.771 -2.151 7.721 1.00 0.00 C ATOM 977 OE1 GLU A 69 15.730 -2.689 7.129 1.00 0.00 O ATOM 978 OE2 GLU A 69 14.909 -1.414 8.719 1.00 0.00 O ATOM 0 H GLU A 69 11.476 -3.781 5.981 1.00 0.00 H new ATOM 0 HA GLU A 69 11.250 -1.119 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.660 -2.730 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.730 -1.046 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.652 -1.867 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.138 -3.467 7.297 1.00 0.00 H new ATOM 985 N LYS A 70 11.912 -2.033 2.928 1.00 0.00 N ATOM 986 CA LYS A 70 11.876 -1.586 1.541 1.00 0.00 C ATOM 987 C LYS A 70 10.640 -0.733 1.276 1.00 0.00 C ATOM 988 O LYS A 70 10.745 0.465 1.015 1.00 0.00 O ATOM 989 CB LYS A 70 11.890 -2.789 0.595 1.00 0.00 C ATOM 990 CG LYS A 70 12.499 -2.488 -0.763 1.00 0.00 C ATOM 991 CD LYS A 70 14.005 -2.694 -0.757 1.00 0.00 C ATOM 992 CE LYS A 70 14.675 -1.941 -1.897 1.00 0.00 C ATOM 993 NZ LYS A 70 14.404 -2.577 -3.216 1.00 0.00 N ATOM 0 H LYS A 70 12.139 -3.020 3.047 1.00 0.00 H new ATOM 0 HA LYS A 70 12.762 -0.978 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.447 -3.601 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.868 -3.143 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.046 -3.132 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.273 -1.460 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.416 -2.356 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.228 -3.758 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.319 -0.911 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.751 -1.904 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.877 -2.035 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.766 -3.552 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.379 -2.589 -3.392 1.00 0.00 H new ATOM 1007 N ALA A 71 9.469 -1.357 1.346 1.00 0.00 N ATOM 1008 CA ALA A 71 8.213 -0.654 1.117 1.00 0.00 C ATOM 1009 C ALA A 71 8.219 0.714 1.790 1.00 0.00 C ATOM 1010 O ALA A 71 7.783 1.707 1.206 1.00 0.00 O ATOM 1011 CB ALA A 71 7.043 -1.486 1.620 1.00 0.00 C ATOM 0 H ALA A 71 9.364 -2.349 1.560 1.00 0.00 H new ATOM 0 HA ALA A 71 8.101 -0.502 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.111 -0.949 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.019 -2.438 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.159 -1.668 2.688 1.00 0.00 H new ATOM 1017 N VAL A 72 8.716 0.760 3.022 1.00 0.00 N ATOM 1018 CA VAL A 72 8.780 2.007 3.775 1.00 0.00 C ATOM 1019 C VAL A 72 9.719 3.005 3.107 1.00 0.00 C ATOM 1020 O VAL A 72 9.282 4.035 2.594 1.00 0.00 O ATOM 1021 CB VAL A 72 9.250 1.766 5.222 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.353 3.083 5.976 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.308 0.807 5.934 1.00 0.00 C ATOM 0 H VAL A 72 9.080 -0.052 3.520 1.00 0.00 H new ATOM 0 HA VAL A 72 7.771 2.418 3.793 1.00 0.00 H new ATOM 0 HB VAL A 72 10.241 1.313 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.686 2.893 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.070 3.734 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.377 3.567 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.655 0.648 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.304 1.231 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.290 -0.145 5.404 1.00 0.00 H new ATOM 1033 N GLU A 73 11.011 2.692 3.116 1.00 0.00 N ATOM 1034 CA GLU A 73 12.012 3.562 2.511 1.00 0.00 C ATOM 1035 C GLU A 73 11.563 4.028 1.129 1.00 0.00 C ATOM 1036 O GLU A 73 11.839 5.158 0.722 1.00 0.00 O ATOM 1037 CB GLU A 73 13.355 2.836 2.406 1.00 0.00 C ATOM 1038 CG GLU A 73 13.277 1.518 1.654 1.00 0.00 C ATOM 1039 CD GLU A 73 14.639 1.010 1.225 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.494 1.844 0.857 1.00 0.00 O ATOM 1041 OE2 GLU A 73 14.851 -0.220 1.255 1.00 0.00 O ATOM 0 H GLU A 73 11.389 1.842 3.536 1.00 0.00 H new ATOM 0 HA GLU A 73 12.130 4.437 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.073 3.487 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.737 2.650 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.797 0.771 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.646 1.643 0.774 1.00 0.00 H new ATOM 1048 N LEU A 74 10.871 3.150 0.411 1.00 0.00 N ATOM 1049 CA LEU A 74 10.384 3.470 -0.927 1.00 0.00 C ATOM 1050 C LEU A 74 9.408 4.641 -0.885 1.00 0.00 C ATOM 1051 O LEU A 74 9.595 5.644 -1.575 1.00 0.00 O ATOM 1052 CB LEU A 74 9.707 2.248 -1.550 1.00 0.00 C ATOM 1053 CG LEU A 74 10.638 1.125 -2.008 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.846 -0.140 -2.299 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.429 1.556 -3.235 1.00 0.00 C ATOM 0 H LEU A 74 10.634 2.211 0.733 1.00 0.00 H new ATOM 0 HA LEU A 74 11.239 3.756 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.005 1.837 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.122 2.580 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 74 11.341 0.911 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.525 -0.928 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.325 -0.459 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.119 0.059 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.087 0.745 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.741 1.798 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.027 2.435 -2.992 1.00 0.00 H new ATOM 1067 N LEU A 75 8.367 4.508 -0.070 1.00 0.00 N ATOM 1068 CA LEU A 75 7.362 5.557 0.064 1.00 0.00 C ATOM 1069 C LEU A 75 8.018 6.928 0.193 1.00 0.00 C ATOM 1070 O LEU A 75 7.675 7.863 -0.531 1.00 0.00 O ATOM 1071 CB LEU A 75 6.475 5.287 1.280 1.00 0.00 C ATOM 1072 CG LEU A 75 5.466 4.147 1.136 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.176 3.516 2.489 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.181 4.650 0.494 1.00 0.00 C ATOM 0 H LEU A 75 8.197 3.685 0.508 1.00 0.00 H new ATOM 0 HA LEU A 75 6.747 5.553 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.118 5.070 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.929 6.200 1.516 1.00 0.00 H new ATOM 0 HG LEU A 75 5.899 3.385 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.456 2.707 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.099 3.119 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.764 4.269 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.475 3.825 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.745 5.432 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.402 5.054 -0.494 1.00 0.00 H new ATOM 1086 N LYS A 76 8.966 7.040 1.117 1.00 0.00 N ATOM 1087 CA LYS A 76 9.674 8.294 1.340 1.00 0.00 C ATOM 1088 C LYS A 76 10.560 8.638 0.147 1.00 0.00 C ATOM 1089 O LYS A 76 10.475 9.734 -0.406 1.00 0.00 O ATOM 1090 CB LYS A 76 10.523 8.207 2.610 1.00 0.00 C ATOM 1091 CG LYS A 76 9.704 8.040 3.879 1.00 0.00 C ATOM 1092 CD LYS A 76 10.571 7.610 5.050 1.00 0.00 C ATOM 1093 CE LYS A 76 9.729 7.255 6.266 1.00 0.00 C ATOM 1094 NZ LYS A 76 10.525 7.301 7.524 1.00 0.00 N ATOM 0 H LYS A 76 9.262 6.276 1.724 1.00 0.00 H new ATOM 0 HA LYS A 76 8.932 9.084 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.212 7.368 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.129 9.109 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.207 8.980 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.922 7.299 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.175 6.750 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.262 8.413 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.890 7.947 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.309 6.257 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.916 7.053 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.311 6.623 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.905 8.260 7.660 1.00 0.00 H new ATOM 1108 N ALA A 77 11.409 7.694 -0.246 1.00 0.00 N ATOM 1109 CA ALA A 77 12.307 7.896 -1.376 1.00 0.00 C ATOM 1110 C ALA A 77 11.582 8.557 -2.543 1.00 0.00 C ATOM 1111 O ALA A 77 12.141 9.411 -3.230 1.00 0.00 O ATOM 1112 CB ALA A 77 12.914 6.570 -1.811 1.00 0.00 C ATOM 0 H ALA A 77 11.494 6.781 0.202 1.00 0.00 H new ATOM 0 HA ALA A 77 13.108 8.563 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.583 6.736 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.476 6.138 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.119 5.885 -2.106 1.00 0.00 H new ATOM 1118 N ALA A 78 10.334 8.155 -2.762 1.00 0.00 N ATOM 1119 CA ALA A 78 9.532 8.710 -3.845 1.00 0.00 C ATOM 1120 C ALA A 78 9.369 10.218 -3.691 1.00 0.00 C ATOM 1121 O ALA A 78 9.855 10.808 -2.726 1.00 0.00 O ATOM 1122 CB ALA A 78 8.170 8.032 -3.894 1.00 0.00 C ATOM 0 H ALA A 78 9.857 7.447 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 78 10.054 8.522 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.581 8.456 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.302 6.963 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.650 8.191 -2.949 1.00 0.00 H new ATOM 1128 N GLN A 79 8.684 10.836 -4.648 1.00 0.00 N ATOM 1129 CA GLN A 79 8.459 12.276 -4.618 1.00 0.00 C ATOM 1130 C GLN A 79 7.177 12.642 -5.359 1.00 0.00 C ATOM 1131 O GLN A 79 6.890 12.104 -6.427 1.00 0.00 O ATOM 1132 CB GLN A 79 9.648 13.012 -5.237 1.00 0.00 C ATOM 1133 CG GLN A 79 9.625 13.034 -6.757 1.00 0.00 C ATOM 1134 CD GLN A 79 10.616 14.021 -7.342 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.571 14.427 -6.678 1.00 0.00 O ATOM 1136 NE2 GLN A 79 10.394 14.414 -8.590 1.00 0.00 N ATOM 0 H GLN A 79 8.275 10.362 -5.453 1.00 0.00 H new ATOM 0 HA GLN A 79 8.355 12.581 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.663 14.037 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.571 12.539 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.847 12.036 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.621 13.288 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.590 14.052 -9.103 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.027 15.078 -9.036 1.00 0.00 H new ATOM 1145 N GLY A 80 6.409 13.563 -4.783 1.00 0.00 N ATOM 1146 CA GLY A 80 5.166 13.985 -5.402 1.00 0.00 C ATOM 1147 C GLY A 80 4.036 13.003 -5.163 1.00 0.00 C ATOM 1148 O GLY A 80 2.955 13.388 -4.717 1.00 0.00 O ATOM 0 H GLY A 80 6.626 14.024 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.883 14.962 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.320 14.103 -6.475 1.00 0.00 H new ATOM 1152 N SER A 81 4.286 11.732 -5.461 1.00 0.00 N ATOM 1153 CA SER A 81 3.278 10.693 -5.281 1.00 0.00 C ATOM 1154 C SER A 81 3.913 9.307 -5.330 1.00 0.00 C ATOM 1155 O SER A 81 5.070 9.155 -5.723 1.00 0.00 O ATOM 1156 CB SER A 81 2.197 10.810 -6.357 1.00 0.00 C ATOM 1157 OG SER A 81 1.641 12.113 -6.382 1.00 0.00 O ATOM 0 H SER A 81 5.177 11.397 -5.828 1.00 0.00 H new ATOM 0 HA SER A 81 2.821 10.830 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.623 10.574 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.411 10.079 -6.168 1.00 0.00 H new ATOM 0 HG SER A 81 1.832 12.566 -5.534 1.00 0.00 H new ATOM 1163 N VAL A 82 3.148 8.298 -4.927 1.00 0.00 N ATOM 1164 CA VAL A 82 3.633 6.923 -4.926 1.00 0.00 C ATOM 1165 C VAL A 82 2.607 5.977 -5.539 1.00 0.00 C ATOM 1166 O VAL A 82 1.407 6.099 -5.292 1.00 0.00 O ATOM 1167 CB VAL A 82 3.967 6.447 -3.499 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.344 6.939 -3.080 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.902 6.917 -2.519 1.00 0.00 C ATOM 0 H VAL A 82 2.189 8.407 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 82 4.541 6.907 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 82 3.980 5.357 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.562 6.593 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.095 6.549 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.363 8.029 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.153 6.572 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.855 8.006 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.934 6.510 -2.811 1.00 0.00 H new ATOM 1179 N LYS A 83 3.086 5.032 -6.340 1.00 0.00 N ATOM 1180 CA LYS A 83 2.212 4.061 -6.989 1.00 0.00 C ATOM 1181 C LYS A 83 2.173 2.754 -6.204 1.00 0.00 C ATOM 1182 O LYS A 83 3.148 2.001 -6.185 1.00 0.00 O ATOM 1183 CB LYS A 83 2.683 3.796 -8.420 1.00 0.00 C ATOM 1184 CG LYS A 83 2.212 4.838 -9.419 1.00 0.00 C ATOM 1185 CD LYS A 83 2.940 4.708 -10.746 1.00 0.00 C ATOM 1186 CE LYS A 83 2.387 5.676 -11.782 1.00 0.00 C ATOM 1187 NZ LYS A 83 3.033 5.493 -13.112 1.00 0.00 N ATOM 0 H LYS A 83 4.076 4.917 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 83 1.205 4.477 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.772 3.758 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.326 2.816 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.139 4.731 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.375 5.835 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.003 4.899 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.847 3.686 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.311 5.530 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.541 6.700 -11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.629 6.170 -13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.056 5.657 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.865 4.524 -13.449 1.00 0.00 H new ATOM 1201 N LEU A 84 1.042 2.489 -5.560 1.00 0.00 N ATOM 1202 CA LEU A 84 0.876 1.271 -4.774 1.00 0.00 C ATOM 1203 C LEU A 84 -0.085 0.307 -5.462 1.00 0.00 C ATOM 1204 O LEU A 84 -1.302 0.486 -5.413 1.00 0.00 O ATOM 1205 CB LEU A 84 0.362 1.610 -3.374 1.00 0.00 C ATOM 1206 CG LEU A 84 1.028 2.800 -2.684 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.048 3.492 -1.749 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.267 2.351 -1.924 1.00 0.00 C ATOM 0 H LEU A 84 0.226 3.101 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 84 1.849 0.787 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.708 1.806 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.487 0.732 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 84 1.334 3.514 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.540 4.337 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.809 3.849 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.290 2.787 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.728 3.211 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.985 1.617 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.977 1.902 -2.619 1.00 0.00 H new ATOM 1220 N VAL A 85 0.470 -0.718 -6.101 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.338 -1.714 -6.796 1.00 0.00 C ATOM 1222 C VAL A 85 -0.822 -2.795 -5.837 1.00 0.00 C ATOM 1223 O VAL A 85 -0.027 -3.415 -5.131 1.00 0.00 O ATOM 1224 CB VAL A 85 0.450 -2.375 -7.943 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.389 -3.449 -8.618 1.00 0.00 C ATOM 1226 CG2 VAL A 85 0.902 -1.328 -8.951 1.00 0.00 C ATOM 0 H VAL A 85 1.476 -0.881 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.199 -1.190 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 85 1.337 -2.851 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.184 -3.905 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.658 -4.213 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.295 -3.001 -9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.457 -1.812 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.030 -0.822 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.543 -0.599 -8.456 1.00 0.00 H new ATOM 1236 N VAL A 86 -2.132 -3.018 -5.818 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.723 -4.027 -4.947 1.00 0.00 C ATOM 1238 C VAL A 86 -3.823 -4.799 -5.668 1.00 0.00 C ATOM 1239 O VAL A 86 -4.197 -4.463 -6.791 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.309 -3.393 -3.671 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.198 -2.837 -2.793 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.312 -2.306 -4.028 1.00 0.00 C ATOM 0 H VAL A 86 -2.804 -2.514 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.923 -4.713 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.832 -4.167 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.631 -2.393 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.521 -3.643 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.645 -2.076 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.716 -1.869 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.816 -1.531 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.124 -2.738 -4.613 1.00 0.00 H new ATOM 1252 N ARG A 87 -4.336 -5.836 -5.013 1.00 0.00 N ATOM 1253 CA ARG A 87 -5.393 -6.657 -5.592 1.00 0.00 C ATOM 1254 C ARG A 87 -6.730 -6.383 -4.910 1.00 0.00 C ATOM 1255 O ARG A 87 -6.971 -6.835 -3.790 1.00 0.00 O ATOM 1256 CB ARG A 87 -5.040 -8.140 -5.469 1.00 0.00 C ATOM 1257 CG ARG A 87 -4.357 -8.709 -6.703 1.00 0.00 C ATOM 1258 CD ARG A 87 -4.323 -10.229 -6.670 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.358 -10.775 -7.620 1.00 0.00 N ATOM 1260 CZ ARG A 87 -3.334 -12.050 -7.992 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -4.217 -12.906 -7.496 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -2.425 -12.472 -8.862 1.00 0.00 N ATOM 0 H ARG A 87 -4.037 -6.127 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.484 -6.398 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.388 -8.279 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.951 -8.707 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.883 -8.375 -7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.340 -8.323 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.071 -10.564 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.315 -10.619 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.664 -10.143 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.917 -12.586 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.196 -13.884 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.744 -11.817 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.408 -13.451 -9.147 1.00 0.00 H new ATOM 1276 N SER A 88 -7.595 -5.639 -5.592 1.00 0.00 N ATOM 1277 CA SER A 88 -8.906 -5.301 -5.050 1.00 0.00 C ATOM 1278 C SER A 88 -9.782 -6.544 -4.933 1.00 0.00 C ATOM 1279 O SER A 88 -9.530 -7.559 -5.581 1.00 0.00 O ATOM 1280 CB SER A 88 -9.594 -4.260 -5.935 1.00 0.00 C ATOM 1281 OG SER A 88 -10.969 -4.146 -5.614 1.00 0.00 O ATOM 0 H SER A 88 -7.412 -5.259 -6.521 1.00 0.00 H new ATOM 0 HA SER A 88 -8.763 -4.883 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.107 -3.293 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.484 -4.539 -6.983 1.00 0.00 H new ATOM 0 HG SER A 88 -11.385 -3.473 -6.193 1.00 0.00 H new ATOM 1287 N GLY A 89 -10.815 -6.457 -4.100 1.00 0.00 N ATOM 1288 CA GLY A 89 -11.714 -7.580 -3.911 1.00 0.00 C ATOM 1289 C GLY A 89 -12.915 -7.522 -4.834 1.00 0.00 C ATOM 1290 O GLY A 89 -13.388 -6.448 -5.206 1.00 0.00 O ATOM 0 H GLY A 89 -11.045 -5.628 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.171 -8.509 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.055 -7.598 -2.876 1.00 0.00 H new ATOM 1294 N PRO A 90 -13.427 -8.701 -5.219 1.00 0.00 N ATOM 1295 CA PRO A 90 -14.587 -8.806 -6.110 1.00 0.00 C ATOM 1296 C PRO A 90 -15.878 -8.354 -5.437 1.00 0.00 C ATOM 1297 O PRO A 90 -16.944 -8.359 -6.052 1.00 0.00 O ATOM 1298 CB PRO A 90 -14.649 -10.301 -6.436 1.00 0.00 C ATOM 1299 CG PRO A 90 -13.984 -10.968 -5.281 1.00 0.00 C ATOM 1300 CD PRO A 90 -12.914 -10.020 -4.815 1.00 0.00 C ATOM 0 HA PRO A 90 -14.486 -8.168 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.679 -10.639 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.136 -10.524 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.699 -11.172 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.555 -11.925 -5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.766 -10.080 -3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.953 -10.238 -5.282 1.00 0.00 H new ATOM 1308 N SER A 91 -15.775 -7.964 -4.171 1.00 0.00 N ATOM 1309 CA SER A 91 -16.935 -7.511 -3.413 1.00 0.00 C ATOM 1310 C SER A 91 -17.561 -6.280 -4.060 1.00 0.00 C ATOM 1311 O SER A 91 -16.856 -5.395 -4.547 1.00 0.00 O ATOM 1312 CB SER A 91 -16.538 -7.196 -1.969 1.00 0.00 C ATOM 1313 OG SER A 91 -15.847 -8.285 -1.382 1.00 0.00 O ATOM 0 H SER A 91 -14.899 -7.953 -3.648 1.00 0.00 H new ATOM 0 HA SER A 91 -17.672 -8.314 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.908 -6.307 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.430 -6.969 -1.384 1.00 0.00 H new ATOM 0 HG SER A 91 -15.603 -8.059 -0.460 1.00 0.00 H new ATOM 1319 N SER A 92 -18.889 -6.230 -4.062 1.00 0.00 N ATOM 1320 CA SER A 92 -19.611 -5.109 -4.653 1.00 0.00 C ATOM 1321 C SER A 92 -20.817 -4.729 -3.799 1.00 0.00 C ATOM 1322 O SER A 92 -21.422 -5.578 -3.147 1.00 0.00 O ATOM 1323 CB SER A 92 -20.066 -5.459 -6.071 1.00 0.00 C ATOM 1324 OG SER A 92 -21.123 -6.402 -6.050 1.00 0.00 O ATOM 0 H SER A 92 -19.487 -6.953 -3.661 1.00 0.00 H new ATOM 0 HA SER A 92 -18.935 -4.255 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.392 -4.555 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 92 -19.226 -5.862 -6.637 1.00 0.00 H new ATOM 0 HG SER A 92 -21.396 -6.607 -6.968 1.00 0.00 H new ATOM 1330 N GLY A 93 -21.159 -3.444 -3.809 1.00 0.00 N ATOM 1331 CA GLY A 93 -22.291 -2.972 -3.032 1.00 0.00 C ATOM 1332 C GLY A 93 -22.305 -1.464 -2.885 1.00 0.00 C ATOM 1333 O GLY A 93 -23.336 -0.823 -3.091 1.00 0.00 O ATOM 0 H GLY A 93 -20.673 -2.722 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.216 -3.296 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -22.265 -3.430 -2.043 1.00 0.00 H new TER 1337 GLY A 93