USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 616 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.4 K(o=-1.4,f=-5!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -112:sc= 0.169 (180deg=0) USER MOD Single : A 10 CYS SG : rot 90:sc= 0.535 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0361 USER MOD Single : A 14 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 0.292 (180deg=0.0682) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 15:sc= -2.14! USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -1.1 (180deg=-1.79) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -0.401 (180deg=-2.07!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -140:sc= -1.14 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 160:sc= -1.16 (180deg=-2.6!) USER MOD Single : A 62 GLN : amide:sc= -1.39! C(o=-1.4!,f=-5.7!) USER MOD Single : A 63 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00211 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -6.62! C(o=-7.6!,f=-6.6!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc=-0.00877 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 62.895 -9.861 7.173 1.00 0.00 N ATOM 18 CA GLU A 2 62.340 -8.793 8.052 1.00 0.00 C ATOM 19 C GLU A 2 62.837 -9.004 9.483 1.00 0.00 C ATOM 20 O GLU A 2 62.182 -9.632 10.292 1.00 0.00 O ATOM 21 CB GLU A 2 60.813 -8.856 8.030 1.00 0.00 C ATOM 22 CG GLU A 2 60.240 -7.547 8.577 1.00 0.00 C ATOM 23 CD GLU A 2 58.759 -7.738 8.908 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.951 -7.637 7.999 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.456 -7.984 10.064 1.00 0.00 O ATOM 0 HA GLU A 2 62.668 -7.818 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.460 -9.023 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.464 -9.697 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 2 60.787 -7.243 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.360 -6.750 7.843 1.00 0.00 H new ATOM 32 N GLN A 3 63.990 -8.484 9.801 1.00 0.00 N ATOM 33 CA GLN A 3 64.530 -8.653 11.178 1.00 0.00 C ATOM 34 C GLN A 3 65.893 -7.969 11.274 1.00 0.00 C ATOM 35 O GLN A 3 66.125 -7.134 12.127 1.00 0.00 O ATOM 36 CB GLN A 3 64.676 -10.145 11.498 1.00 0.00 C ATOM 37 CG GLN A 3 65.278 -10.879 10.295 1.00 0.00 C ATOM 38 CD GLN A 3 66.728 -11.258 10.605 1.00 0.00 C ATOM 39 OE1 GLN A 3 67.246 -10.925 11.652 1.00 0.00 O ATOM 40 NE2 GLN A 3 67.410 -11.949 9.730 1.00 0.00 N ATOM 0 H GLN A 3 64.582 -7.949 9.166 1.00 0.00 H new ATOM 0 HA GLN A 3 63.845 -8.201 11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.313 -10.278 12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 3 63.703 -10.570 11.745 1.00 0.00 H new ATOM 0 HG2 GLN A 3 64.696 -11.773 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.238 -10.244 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 3 66.976 -12.229 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 3 68.377 -12.208 9.927 1.00 0.00 H new ATOM 49 N LEU A 4 66.794 -8.313 10.401 1.00 0.00 N ATOM 50 CA LEU A 4 68.143 -7.685 10.431 1.00 0.00 C ATOM 51 C LEU A 4 68.023 -6.212 10.034 1.00 0.00 C ATOM 52 O LEU A 4 68.883 -5.406 10.335 1.00 0.00 O ATOM 53 CB LEU A 4 69.061 -8.407 9.444 1.00 0.00 C ATOM 54 CG LEU A 4 68.448 -8.354 8.043 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.791 -7.017 7.386 1.00 0.00 C ATOM 56 CD2 LEU A 4 69.013 -9.497 7.198 1.00 0.00 C ATOM 0 H LEU A 4 66.655 -9.005 9.664 1.00 0.00 H new ATOM 0 HA LEU A 4 68.560 -7.759 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 4 70.046 -7.940 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.201 -9.443 9.752 1.00 0.00 H new ATOM 0 HG LEU A 4 67.365 -8.455 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.354 -6.979 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.390 -6.202 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.874 -6.915 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 4 68.577 -9.461 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.096 -9.395 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.769 -10.451 7.666 1.00 0.00 H new ATOM 68 N ALA A 5 66.963 -5.854 9.362 1.00 0.00 N ATOM 69 CA ALA A 5 66.786 -4.435 8.947 1.00 0.00 C ATOM 70 C ALA A 5 66.115 -3.655 10.080 1.00 0.00 C ATOM 71 O ALA A 5 66.044 -2.442 10.055 1.00 0.00 O ATOM 72 CB ALA A 5 65.909 -4.376 7.695 1.00 0.00 C ATOM 0 H ALA A 5 66.211 -6.484 9.082 1.00 0.00 H new ATOM 0 HA ALA A 5 67.759 -3.994 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 5 65.779 -3.338 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 5 66.387 -4.933 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.935 -4.815 7.912 1.00 0.00 H new ATOM 78 N LYS A 6 65.624 -4.340 11.078 1.00 0.00 N ATOM 79 CA LYS A 6 64.964 -3.635 12.211 1.00 0.00 C ATOM 80 C LYS A 6 66.030 -3.171 13.205 1.00 0.00 C ATOM 81 O LYS A 6 65.965 -2.082 13.739 1.00 0.00 O ATOM 82 CB LYS A 6 63.993 -4.588 12.910 1.00 0.00 C ATOM 83 CG LYS A 6 62.805 -4.876 11.989 1.00 0.00 C ATOM 84 CD LYS A 6 61.500 -4.647 12.755 1.00 0.00 C ATOM 85 CE LYS A 6 60.399 -5.527 12.162 1.00 0.00 C ATOM 86 NZ LYS A 6 59.340 -4.662 11.568 1.00 0.00 N ATOM 0 H LYS A 6 65.652 -5.357 11.156 1.00 0.00 H new ATOM 0 HA LYS A 6 64.414 -2.772 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.501 -5.518 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.644 -4.147 13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.844 -4.228 11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 62.852 -5.903 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.639 -4.882 13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.212 -3.597 12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 6 60.816 -6.186 11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.972 -6.165 12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.590 -5.259 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.936 -4.051 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.754 -4.072 10.818 1.00 0.00 H new ATOM 100 N GLN A 7 67.015 -3.991 13.456 1.00 0.00 N ATOM 101 CA GLN A 7 68.087 -3.601 14.413 1.00 0.00 C ATOM 102 C GLN A 7 68.697 -2.265 13.983 1.00 0.00 C ATOM 103 O GLN A 7 69.335 -1.584 14.762 1.00 0.00 O ATOM 104 CB GLN A 7 69.175 -4.677 14.425 1.00 0.00 C ATOM 105 CG GLN A 7 68.943 -5.627 15.602 1.00 0.00 C ATOM 106 CD GLN A 7 70.205 -6.456 15.847 1.00 0.00 C ATOM 107 OE1 GLN A 7 71.184 -5.955 16.364 1.00 0.00 O ATOM 108 NE2 GLN A 7 70.223 -7.713 15.496 1.00 0.00 N ATOM 0 H GLN A 7 67.122 -4.915 13.038 1.00 0.00 H new ATOM 0 HA GLN A 7 67.662 -3.501 15.412 1.00 0.00 H new ATOM 0 HB2 GLN A 7 69.161 -5.233 13.488 1.00 0.00 H new ATOM 0 HB3 GLN A 7 70.158 -4.214 14.507 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.689 -5.059 16.497 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.099 -6.284 15.392 1.00 0.00 H new ATOM 0 HE21 GLN A 7 69.401 -8.133 15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 7 71.059 -8.275 15.656 1.00 0.00 H new ATOM 117 N LYS A 8 68.506 -1.882 12.749 1.00 0.00 N ATOM 118 CA LYS A 8 69.079 -0.589 12.275 1.00 0.00 C ATOM 119 C LYS A 8 68.093 0.543 12.573 1.00 0.00 C ATOM 120 O LYS A 8 68.449 1.557 13.139 1.00 0.00 O ATOM 121 CB LYS A 8 69.333 -0.659 10.769 1.00 0.00 C ATOM 122 CG LYS A 8 70.120 -1.929 10.439 1.00 0.00 C ATOM 123 CD LYS A 8 71.496 -1.866 11.104 1.00 0.00 C ATOM 124 CE LYS A 8 72.436 -2.866 10.429 1.00 0.00 C ATOM 125 NZ LYS A 8 73.844 -2.557 10.803 1.00 0.00 N ATOM 0 H LYS A 8 67.980 -2.407 12.051 1.00 0.00 H new ATOM 0 HA LYS A 8 70.020 -0.400 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.386 -0.656 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.889 0.220 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.576 -2.807 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 8 70.231 -2.030 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.903 -0.858 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.409 -2.093 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.183 -3.882 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.318 -2.819 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 74.358 -2.215 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.854 -1.823 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 74.304 -3.417 11.165 1.00 0.00 H new ATOM 139 N GLY A 9 66.854 0.377 12.196 1.00 0.00 N ATOM 140 CA GLY A 9 65.847 1.443 12.459 1.00 0.00 C ATOM 141 C GLY A 9 65.312 1.985 11.133 1.00 0.00 C ATOM 142 O GLY A 9 64.938 3.135 11.027 1.00 0.00 O ATOM 0 H GLY A 9 66.497 -0.450 11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.028 1.043 13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.299 2.249 13.037 1.00 0.00 H new ATOM 146 N CYS A 10 65.268 1.164 10.118 1.00 0.00 N ATOM 147 CA CYS A 10 64.754 1.635 8.802 1.00 0.00 C ATOM 148 C CYS A 10 63.267 1.971 8.926 1.00 0.00 C ATOM 149 O CYS A 10 62.783 2.917 8.338 1.00 0.00 O ATOM 150 CB CYS A 10 64.939 0.534 7.757 1.00 0.00 C ATOM 151 SG CYS A 10 66.629 -0.109 7.848 1.00 0.00 S ATOM 0 H CYS A 10 65.566 0.189 10.144 1.00 0.00 H new ATOM 0 HA CYS A 10 65.305 2.524 8.496 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.223 -0.270 7.930 1.00 0.00 H new ATOM 0 HB3 CYS A 10 64.742 0.928 6.760 1.00 0.00 H new ATOM 0 HG CYS A 10 66.670 -1.105 8.683 1.00 0.00 H new ATOM 156 N MET A 11 62.536 1.202 9.686 1.00 0.00 N ATOM 157 CA MET A 11 61.080 1.476 9.845 1.00 0.00 C ATOM 158 C MET A 11 60.883 2.877 10.429 1.00 0.00 C ATOM 159 O MET A 11 59.798 3.425 10.395 1.00 0.00 O ATOM 160 CB MET A 11 60.464 0.439 10.786 1.00 0.00 C ATOM 161 CG MET A 11 60.428 -0.924 10.094 1.00 0.00 C ATOM 162 SD MET A 11 59.326 -0.844 8.660 1.00 0.00 S ATOM 163 CE MET A 11 59.601 -2.530 8.063 1.00 0.00 C ATOM 0 H MET A 11 62.885 0.395 10.204 1.00 0.00 H new ATOM 0 HA MET A 11 60.593 1.417 8.872 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.046 0.376 11.705 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.455 0.742 11.067 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.431 -1.211 9.779 1.00 0.00 H new ATOM 0 HG3 MET A 11 60.082 -1.688 10.790 1.00 0.00 H new ATOM 0 HE1 MET A 11 59.006 -2.700 7.166 1.00 0.00 H new ATOM 0 HE2 MET A 11 60.657 -2.665 7.829 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.306 -3.242 8.834 1.00 0.00 H new ATOM 173 N ALA A 12 61.920 3.463 10.963 1.00 0.00 N ATOM 174 CA ALA A 12 61.784 4.827 11.544 1.00 0.00 C ATOM 175 C ALA A 12 61.151 5.753 10.507 1.00 0.00 C ATOM 176 O ALA A 12 60.295 6.559 10.815 1.00 0.00 O ATOM 177 CB ALA A 12 63.164 5.359 11.933 1.00 0.00 C ATOM 0 H ALA A 12 62.854 3.056 11.022 1.00 0.00 H new ATOM 0 HA ALA A 12 61.153 4.786 12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.062 6.358 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.615 4.695 12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.799 5.404 11.048 1.00 0.00 H new ATOM 183 N CYS A 13 61.565 5.641 9.277 1.00 0.00 N ATOM 184 CA CYS A 13 60.992 6.506 8.211 1.00 0.00 C ATOM 185 C CYS A 13 60.458 5.625 7.078 1.00 0.00 C ATOM 186 O CYS A 13 60.087 6.109 6.029 1.00 0.00 O ATOM 187 CB CYS A 13 62.084 7.422 7.658 1.00 0.00 C ATOM 188 SG CYS A 13 63.121 8.030 9.012 1.00 0.00 S ATOM 0 H CYS A 13 62.279 4.984 8.963 1.00 0.00 H new ATOM 0 HA CYS A 13 60.183 7.107 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.694 6.880 6.936 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.633 8.261 7.128 1.00 0.00 H new ATOM 0 HG CYS A 13 64.048 8.806 8.534 1.00 0.00 H new ATOM 193 N HIS A 14 60.428 4.336 7.276 1.00 0.00 N ATOM 194 CA HIS A 14 59.929 3.436 6.198 1.00 0.00 C ATOM 195 C HIS A 14 58.754 2.604 6.709 1.00 0.00 C ATOM 196 O HIS A 14 58.285 2.775 7.817 1.00 0.00 O ATOM 197 CB HIS A 14 61.054 2.502 5.752 1.00 0.00 C ATOM 198 CG HIS A 14 61.814 3.140 4.623 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.445 2.972 3.299 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.923 3.951 4.604 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.315 3.665 2.544 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.237 4.281 3.289 1.00 0.00 N ATOM 0 H HIS A 14 60.726 3.869 8.132 1.00 0.00 H new ATOM 0 HA HIS A 14 59.597 4.043 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.724 2.298 6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.642 1.545 5.433 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.656 2.422 2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.468 4.282 5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.274 3.717 1.466 1.00 0.00 H new ATOM 210 N ASP A 15 58.281 1.700 5.898 1.00 0.00 N ATOM 211 CA ASP A 15 57.136 0.843 6.307 1.00 0.00 C ATOM 212 C ASP A 15 56.548 0.178 5.062 1.00 0.00 C ATOM 213 O ASP A 15 56.576 0.732 3.980 1.00 0.00 O ATOM 214 CB ASP A 15 56.068 1.699 6.987 1.00 0.00 C ATOM 215 CG ASP A 15 55.931 3.028 6.244 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.550 3.000 5.086 1.00 0.00 O ATOM 217 OD2 ASP A 15 56.211 4.052 6.846 1.00 0.00 O ATOM 0 H ASP A 15 58.642 1.517 4.962 1.00 0.00 H new ATOM 0 HA ASP A 15 57.477 0.081 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.114 1.173 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 15 56.338 1.878 8.028 1.00 0.00 H new ATOM 222 N LEU A 16 56.030 -1.008 5.199 1.00 0.00 N ATOM 223 CA LEU A 16 55.456 -1.711 4.018 1.00 0.00 C ATOM 224 C LEU A 16 54.262 -0.935 3.466 1.00 0.00 C ATOM 225 O LEU A 16 54.194 -0.641 2.289 1.00 0.00 O ATOM 226 CB LEU A 16 54.992 -3.105 4.429 1.00 0.00 C ATOM 227 CG LEU A 16 56.079 -3.782 5.271 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.781 -5.279 5.388 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.444 -3.587 4.603 1.00 0.00 C ATOM 0 H LEU A 16 55.979 -1.523 6.078 1.00 0.00 H new ATOM 0 HA LEU A 16 56.225 -1.784 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.066 -3.037 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.778 -3.704 3.544 1.00 0.00 H new ATOM 0 HG LEU A 16 56.093 -3.335 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.555 -5.758 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.812 -5.421 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.763 -5.725 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.215 -4.069 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.429 -4.031 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.661 -2.522 4.522 1.00 0.00 H new ATOM 241 N LYS A 17 53.307 -0.617 4.295 1.00 0.00 N ATOM 242 CA LYS A 17 52.118 0.118 3.788 1.00 0.00 C ATOM 243 C LYS A 17 51.819 1.332 4.674 1.00 0.00 C ATOM 244 O LYS A 17 50.685 1.583 5.029 1.00 0.00 O ATOM 245 CB LYS A 17 50.908 -0.817 3.786 1.00 0.00 C ATOM 246 CG LYS A 17 49.887 -0.325 2.760 1.00 0.00 C ATOM 247 CD LYS A 17 48.476 -0.483 3.327 1.00 0.00 C ATOM 248 CE LYS A 17 47.621 0.709 2.901 1.00 0.00 C ATOM 249 NZ LYS A 17 47.758 1.801 3.904 1.00 0.00 N ATOM 0 H LYS A 17 53.299 -0.832 5.292 1.00 0.00 H new ATOM 0 HA LYS A 17 52.324 0.464 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.220 -1.833 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.457 -0.848 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 17 50.077 0.720 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.984 -0.892 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.030 -1.411 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.514 -0.547 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 17 47.934 1.062 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 46.577 0.409 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 47.604 2.719 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 47.053 1.671 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 48.713 1.776 4.316 1.00 0.00 H new ATOM 263 N ALA A 18 52.820 2.091 5.029 1.00 0.00 N ATOM 264 CA ALA A 18 52.573 3.289 5.885 1.00 0.00 C ATOM 265 C ALA A 18 53.451 4.448 5.413 1.00 0.00 C ATOM 266 O ALA A 18 54.204 5.021 6.174 1.00 0.00 O ATOM 267 CB ALA A 18 52.906 2.959 7.338 1.00 0.00 C ATOM 0 H ALA A 18 53.793 1.936 4.766 1.00 0.00 H new ATOM 0 HA ALA A 18 51.524 3.574 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.725 3.835 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.277 2.136 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.954 2.670 7.414 1.00 0.00 H new ATOM 273 N LYS A 19 53.359 4.797 4.162 1.00 0.00 N ATOM 274 CA LYS A 19 54.185 5.919 3.635 1.00 0.00 C ATOM 275 C LYS A 19 54.099 7.117 4.583 1.00 0.00 C ATOM 276 O LYS A 19 53.073 7.757 4.700 1.00 0.00 O ATOM 277 CB LYS A 19 53.671 6.327 2.252 1.00 0.00 C ATOM 278 CG LYS A 19 54.320 7.647 1.835 1.00 0.00 C ATOM 279 CD LYS A 19 54.016 7.924 0.361 1.00 0.00 C ATOM 280 CE LYS A 19 55.318 7.909 -0.442 1.00 0.00 C ATOM 281 NZ LYS A 19 55.184 8.810 -1.622 1.00 0.00 N ATOM 0 H LYS A 19 52.746 4.353 3.479 1.00 0.00 H new ATOM 0 HA LYS A 19 55.223 5.594 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 19 53.901 5.550 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.586 6.433 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 19 53.943 8.461 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.398 7.600 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.329 7.172 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 19 53.523 8.891 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.148 8.234 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.544 6.894 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 56.069 8.800 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.402 8.481 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.987 9.779 -1.299 1.00 0.00 H new ATOM 295 N LYS A 20 55.172 7.429 5.257 1.00 0.00 N ATOM 296 CA LYS A 20 55.157 8.588 6.191 1.00 0.00 C ATOM 297 C LYS A 20 56.253 9.576 5.778 1.00 0.00 C ATOM 298 O LYS A 20 56.035 10.447 4.960 1.00 0.00 O ATOM 299 CB LYS A 20 55.400 8.095 7.620 1.00 0.00 C ATOM 300 CG LYS A 20 55.402 9.288 8.576 1.00 0.00 C ATOM 301 CD LYS A 20 55.612 8.794 10.008 1.00 0.00 C ATOM 302 CE LYS A 20 55.017 9.806 10.987 1.00 0.00 C ATOM 303 NZ LYS A 20 54.256 9.084 12.045 1.00 0.00 N ATOM 0 H LYS A 20 56.060 6.930 5.200 1.00 0.00 H new ATOM 0 HA LYS A 20 54.189 9.087 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 20 54.625 7.385 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.352 7.567 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.193 9.986 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 20 54.459 9.829 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 20 55.139 7.821 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 20 56.676 8.662 10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 20 55.810 10.402 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.360 10.497 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 53.851 9.772 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 53.490 8.533 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 54.895 8.442 12.556 1.00 0.00 H new ATOM 317 N VAL A 21 57.433 9.444 6.321 1.00 0.00 N ATOM 318 CA VAL A 21 58.535 10.371 5.936 1.00 0.00 C ATOM 319 C VAL A 21 59.228 9.822 4.688 1.00 0.00 C ATOM 320 O VAL A 21 59.311 10.479 3.669 1.00 0.00 O ATOM 321 CB VAL A 21 59.547 10.475 7.078 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.623 11.500 6.714 1.00 0.00 C ATOM 323 CG2 VAL A 21 58.835 10.920 8.357 1.00 0.00 C ATOM 0 H VAL A 21 57.681 8.736 7.013 1.00 0.00 H new ATOM 0 HA VAL A 21 58.128 11.361 5.731 1.00 0.00 H new ATOM 0 HB VAL A 21 60.009 9.501 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.345 11.575 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.133 11.184 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.159 12.473 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 21 59.558 10.993 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.371 11.893 8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.068 10.191 8.619 1.00 0.00 H new ATOM 333 N GLY A 22 59.722 8.617 4.764 1.00 0.00 N ATOM 334 CA GLY A 22 60.405 8.009 3.586 1.00 0.00 C ATOM 335 C GLY A 22 59.388 7.208 2.769 1.00 0.00 C ATOM 336 O GLY A 22 58.239 7.101 3.148 1.00 0.00 O ATOM 0 H GLY A 22 59.682 8.025 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.852 8.788 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.216 7.360 3.916 1.00 0.00 H new ATOM 340 N PRO A 23 59.844 6.666 1.670 1.00 0.00 N ATOM 341 CA PRO A 23 58.997 5.864 0.770 1.00 0.00 C ATOM 342 C PRO A 23 58.799 4.453 1.334 1.00 0.00 C ATOM 343 O PRO A 23 59.749 3.747 1.611 1.00 0.00 O ATOM 344 CB PRO A 23 59.797 5.822 -0.533 1.00 0.00 C ATOM 345 CG PRO A 23 61.270 6.100 -0.150 1.00 0.00 C ATOM 346 CD PRO A 23 61.244 6.803 1.221 1.00 0.00 C ATOM 0 HA PRO A 23 57.998 6.280 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.698 4.851 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.431 6.569 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.839 5.172 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.753 6.728 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.935 6.335 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.535 7.850 1.138 1.00 0.00 H new ATOM 354 N ALA A 24 57.574 4.040 1.506 1.00 0.00 N ATOM 355 CA ALA A 24 57.317 2.678 2.050 1.00 0.00 C ATOM 356 C ALA A 24 58.049 1.642 1.196 1.00 0.00 C ATOM 357 O ALA A 24 58.274 1.841 0.019 1.00 0.00 O ATOM 358 CB ALA A 24 55.813 2.395 2.025 1.00 0.00 C ATOM 0 H ALA A 24 56.740 4.587 1.293 1.00 0.00 H new ATOM 0 HA ALA A 24 57.679 2.621 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.624 1.398 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.294 3.134 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.449 2.451 0.999 1.00 0.00 H new ATOM 364 N TYR A 25 58.423 0.536 1.779 1.00 0.00 N ATOM 365 CA TYR A 25 59.141 -0.512 1.007 1.00 0.00 C ATOM 366 C TYR A 25 58.250 -1.021 -0.130 1.00 0.00 C ATOM 367 O TYR A 25 58.674 -1.130 -1.262 1.00 0.00 O ATOM 368 CB TYR A 25 59.485 -1.669 1.943 1.00 0.00 C ATOM 369 CG TYR A 25 60.656 -1.285 2.815 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.848 -0.838 2.231 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.551 -1.378 4.207 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.934 -0.484 3.041 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.636 -1.025 5.017 1.00 0.00 C ATOM 374 CZ TYR A 25 62.828 -0.578 4.434 1.00 0.00 C ATOM 375 OH TYR A 25 63.899 -0.230 5.232 1.00 0.00 O ATOM 0 H TYR A 25 58.260 0.314 2.761 1.00 0.00 H new ATOM 0 HA TYR A 25 60.054 -0.094 0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.623 -1.917 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.727 -2.559 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.930 -0.766 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.632 -1.723 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.853 -0.139 2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.554 -1.097 6.091 1.00 0.00 H new ATOM 0 HH TYR A 25 64.551 0.276 4.703 1.00 0.00 H new ATOM 385 N ALA A 26 57.019 -1.337 0.166 1.00 0.00 N ATOM 386 CA ALA A 26 56.103 -1.845 -0.895 1.00 0.00 C ATOM 387 C ALA A 26 56.175 -0.930 -2.121 1.00 0.00 C ATOM 388 O ALA A 26 56.374 -1.381 -3.231 1.00 0.00 O ATOM 389 CB ALA A 26 54.668 -1.868 -0.362 1.00 0.00 C ATOM 0 H ALA A 26 56.608 -1.265 1.097 1.00 0.00 H new ATOM 0 HA ALA A 26 56.404 -2.853 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.998 -2.239 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.614 -2.522 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.369 -0.859 -0.077 1.00 0.00 H new ATOM 395 N ASP A 27 56.010 0.350 -1.931 1.00 0.00 N ATOM 396 CA ASP A 27 56.065 1.288 -3.083 1.00 0.00 C ATOM 397 C ASP A 27 57.447 1.222 -3.733 1.00 0.00 C ATOM 398 O ASP A 27 57.579 1.284 -4.940 1.00 0.00 O ATOM 399 CB ASP A 27 55.799 2.709 -2.588 1.00 0.00 C ATOM 400 CG ASP A 27 54.290 2.938 -2.480 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.581 2.511 -3.377 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.870 3.535 -1.504 1.00 0.00 O ATOM 0 H ASP A 27 55.839 0.786 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 27 55.309 1.009 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.271 2.862 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.239 3.433 -3.274 1.00 0.00 H new ATOM 407 N VAL A 28 58.480 1.094 -2.946 1.00 0.00 N ATOM 408 CA VAL A 28 59.850 1.022 -3.522 1.00 0.00 C ATOM 409 C VAL A 28 59.909 -0.111 -4.545 1.00 0.00 C ATOM 410 O VAL A 28 60.446 0.041 -5.626 1.00 0.00 O ATOM 411 CB VAL A 28 60.862 0.756 -2.405 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.274 0.703 -2.994 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.784 1.880 -1.371 1.00 0.00 C ATOM 0 H VAL A 28 58.433 1.036 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 28 60.091 1.967 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 28 60.633 -0.197 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.994 0.514 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.331 -0.097 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.505 1.655 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.504 1.692 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.013 2.832 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.779 1.918 -0.950 1.00 0.00 H new ATOM 423 N ALA A 29 59.357 -1.248 -4.217 1.00 0.00 N ATOM 424 CA ALA A 29 59.378 -2.387 -5.174 1.00 0.00 C ATOM 425 C ALA A 29 58.608 -1.996 -6.435 1.00 0.00 C ATOM 426 O ALA A 29 59.038 -2.251 -7.542 1.00 0.00 O ATOM 427 CB ALA A 29 58.721 -3.609 -4.529 1.00 0.00 C ATOM 0 H ALA A 29 58.893 -1.436 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 29 60.408 -2.629 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.737 -4.443 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.269 -3.883 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.689 -3.373 -4.269 1.00 0.00 H new ATOM 433 N LYS A 30 57.474 -1.372 -6.276 1.00 0.00 N ATOM 434 CA LYS A 30 56.678 -0.957 -7.463 1.00 0.00 C ATOM 435 C LYS A 30 57.441 0.131 -8.222 1.00 0.00 C ATOM 436 O LYS A 30 57.132 0.449 -9.352 1.00 0.00 O ATOM 437 CB LYS A 30 55.326 -0.406 -7.003 1.00 0.00 C ATOM 438 CG LYS A 30 54.567 -1.489 -6.234 1.00 0.00 C ATOM 439 CD LYS A 30 53.387 -0.859 -5.491 1.00 0.00 C ATOM 440 CE LYS A 30 52.120 -0.992 -6.339 1.00 0.00 C ATOM 441 NZ LYS A 30 52.377 -0.455 -7.706 1.00 0.00 N ATOM 0 H LYS A 30 57.064 -1.132 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 30 56.515 -1.815 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.475 0.468 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 30 54.742 -0.080 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.209 -2.255 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 30 55.234 -1.982 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 30 53.246 -1.350 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.592 0.192 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.818 -2.038 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.298 -0.449 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 51.484 -0.420 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 52.775 0.503 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 53.051 -1.073 -8.201 1.00 0.00 H new ATOM 455 N LYS A 31 58.438 0.705 -7.605 1.00 0.00 N ATOM 456 CA LYS A 31 59.221 1.771 -8.280 1.00 0.00 C ATOM 457 C LYS A 31 60.291 1.137 -9.174 1.00 0.00 C ATOM 458 O LYS A 31 60.776 1.750 -10.105 1.00 0.00 O ATOM 459 CB LYS A 31 59.892 2.654 -7.227 1.00 0.00 C ATOM 460 CG LYS A 31 59.313 4.069 -7.302 1.00 0.00 C ATOM 461 CD LYS A 31 57.867 4.057 -6.801 1.00 0.00 C ATOM 462 CE LYS A 31 57.353 5.494 -6.694 1.00 0.00 C ATOM 463 NZ LYS A 31 56.723 5.895 -7.984 1.00 0.00 N ATOM 0 H LYS A 31 58.743 0.478 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 31 58.554 2.378 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.733 2.237 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.969 2.681 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 31 59.912 4.751 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 31 59.350 4.435 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 57.239 3.485 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.811 3.566 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 31 56.628 5.573 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 58.175 6.168 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 56.374 6.872 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 57.427 5.835 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 55.928 5.258 -8.195 1.00 0.00 H new ATOM 477 N TYR A 32 60.663 -0.082 -8.898 1.00 0.00 N ATOM 478 CA TYR A 32 61.699 -0.753 -9.733 1.00 0.00 C ATOM 479 C TYR A 32 61.126 -2.053 -10.293 1.00 0.00 C ATOM 480 O TYR A 32 60.501 -2.820 -9.589 1.00 0.00 O ATOM 481 CB TYR A 32 62.928 -1.052 -8.872 1.00 0.00 C ATOM 482 CG TYR A 32 63.384 0.222 -8.205 1.00 0.00 C ATOM 483 CD1 TYR A 32 64.025 1.214 -8.957 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.162 0.416 -6.835 1.00 0.00 C ATOM 485 CE1 TYR A 32 64.444 2.399 -8.340 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.581 1.601 -6.219 1.00 0.00 C ATOM 487 CZ TYR A 32 64.222 2.592 -6.971 1.00 0.00 C ATOM 488 OH TYR A 32 64.634 3.761 -6.364 1.00 0.00 O ATOM 0 H TYR A 32 60.294 -0.643 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 32 61.990 -0.103 -10.558 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.687 -1.804 -8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.728 -1.461 -9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 32 64.196 1.065 -10.013 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.668 -0.349 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 32 64.938 3.164 -8.920 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.410 1.751 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 32 64.403 3.734 -5.412 1.00 0.00 H new ATOM 498 N ALA A 33 61.330 -2.305 -11.558 1.00 0.00 N ATOM 499 CA ALA A 33 60.791 -3.548 -12.168 1.00 0.00 C ATOM 500 C ALA A 33 61.074 -3.529 -13.666 1.00 0.00 C ATOM 501 O ALA A 33 60.482 -2.774 -14.413 1.00 0.00 O ATOM 502 CB ALA A 33 59.284 -3.619 -11.939 1.00 0.00 C ATOM 0 H ALA A 33 61.849 -1.700 -12.195 1.00 0.00 H new ATOM 0 HA ALA A 33 61.266 -4.416 -11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.890 -4.531 -12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.078 -3.623 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.805 -2.754 -12.398 1.00 0.00 H new ATOM 508 N GLY A 34 61.988 -4.339 -14.105 1.00 0.00 N ATOM 509 CA GLY A 34 62.335 -4.359 -15.549 1.00 0.00 C ATOM 510 C GLY A 34 63.670 -3.646 -15.728 1.00 0.00 C ATOM 511 O GLY A 34 64.336 -3.785 -16.735 1.00 0.00 O ATOM 0 H GLY A 34 62.513 -4.992 -13.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 62.401 -5.385 -15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 61.559 -3.865 -16.133 1.00 0.00 H new ATOM 515 N ARG A 35 64.069 -2.886 -14.743 1.00 0.00 N ATOM 516 CA ARG A 35 65.369 -2.165 -14.840 1.00 0.00 C ATOM 517 C ARG A 35 66.501 -3.190 -14.933 1.00 0.00 C ATOM 518 O ARG A 35 66.528 -4.165 -14.209 1.00 0.00 O ATOM 519 CB ARG A 35 65.565 -1.295 -13.596 1.00 0.00 C ATOM 520 CG ARG A 35 65.481 0.182 -13.990 1.00 0.00 C ATOM 521 CD ARG A 35 66.358 1.010 -13.050 1.00 0.00 C ATOM 522 NE ARG A 35 67.348 1.786 -13.851 1.00 0.00 N ATOM 523 CZ ARG A 35 68.086 2.699 -13.280 1.00 0.00 C ATOM 524 NH1 ARG A 35 67.962 2.939 -12.002 1.00 0.00 N ATOM 525 NH2 ARG A 35 68.953 3.372 -13.987 1.00 0.00 N ATOM 0 H ARG A 35 63.551 -2.734 -13.877 1.00 0.00 H new ATOM 0 HA ARG A 35 65.374 -1.530 -15.726 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.803 -1.528 -12.852 1.00 0.00 H new ATOM 0 HB3 ARG A 35 66.532 -1.507 -13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 35 65.809 0.314 -15.021 1.00 0.00 H new ATOM 0 HG3 ARG A 35 64.448 0.525 -13.938 1.00 0.00 H new ATOM 0 HD2 ARG A 35 65.740 1.687 -12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.875 0.357 -12.347 1.00 0.00 H new ATOM 0 HE ARG A 35 67.449 1.603 -14.849 1.00 0.00 H new ATOM 0 HH11 ARG A 35 67.287 2.412 -11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 35 68.540 3.653 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 35 69.053 3.184 -14.985 1.00 0.00 H new ATOM 0 HH22 ARG A 35 69.530 4.086 -13.542 1.00 0.00 H new ATOM 539 N LYS A 36 67.430 -2.983 -15.825 1.00 0.00 N ATOM 540 CA LYS A 36 68.553 -3.952 -15.971 1.00 0.00 C ATOM 541 C LYS A 36 69.372 -4.002 -14.679 1.00 0.00 C ATOM 542 O LYS A 36 69.970 -5.010 -14.355 1.00 0.00 O ATOM 543 CB LYS A 36 69.452 -3.516 -17.129 1.00 0.00 C ATOM 544 CG LYS A 36 68.987 -4.195 -18.419 1.00 0.00 C ATOM 545 CD LYS A 36 67.604 -3.667 -18.806 1.00 0.00 C ATOM 546 CE LYS A 36 66.538 -4.698 -18.434 1.00 0.00 C ATOM 547 NZ LYS A 36 66.891 -6.015 -19.035 1.00 0.00 N ATOM 0 H LYS A 36 67.460 -2.185 -16.459 1.00 0.00 H new ATOM 0 HA LYS A 36 68.147 -4.943 -16.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 69.417 -2.433 -17.243 1.00 0.00 H new ATOM 0 HB3 LYS A 36 70.488 -3.781 -16.919 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.699 -4.001 -19.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 68.949 -5.275 -18.280 1.00 0.00 H new ATOM 0 HD2 LYS A 36 67.407 -2.725 -18.294 1.00 0.00 H new ATOM 0 HD3 LYS A 36 67.568 -3.462 -19.876 1.00 0.00 H new ATOM 0 HE2 LYS A 36 66.466 -4.788 -17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.561 -4.373 -18.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 66.024 -6.498 -19.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 67.518 -5.867 -19.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 67.377 -6.601 -18.326 1.00 0.00 H new ATOM 561 N ASP A 37 69.413 -2.929 -13.940 1.00 0.00 N ATOM 562 CA ASP A 37 70.202 -2.931 -12.676 1.00 0.00 C ATOM 563 C ASP A 37 69.354 -2.358 -11.537 1.00 0.00 C ATOM 564 O ASP A 37 69.690 -1.352 -10.946 1.00 0.00 O ATOM 565 CB ASP A 37 71.459 -2.077 -12.855 1.00 0.00 C ATOM 566 CG ASP A 37 72.659 -2.988 -13.123 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.780 -3.462 -14.242 1.00 0.00 O ATOM 568 OD2 ASP A 37 73.437 -3.196 -12.207 1.00 0.00 O ATOM 0 H ASP A 37 68.936 -2.053 -14.155 1.00 0.00 H new ATOM 0 HA ASP A 37 70.489 -3.954 -12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 37 71.324 -1.381 -13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 37 71.635 -1.478 -11.961 1.00 0.00 H new ATOM 573 N ALA A 38 68.259 -2.994 -11.222 1.00 0.00 N ATOM 574 CA ALA A 38 67.396 -2.486 -10.119 1.00 0.00 C ATOM 575 C ALA A 38 67.948 -2.976 -8.780 1.00 0.00 C ATOM 576 O ALA A 38 67.845 -2.305 -7.772 1.00 0.00 O ATOM 577 CB ALA A 38 65.970 -3.007 -10.306 1.00 0.00 C ATOM 0 H ALA A 38 67.925 -3.842 -11.680 1.00 0.00 H new ATOM 0 HA ALA A 38 67.387 -1.396 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.338 -2.636 -9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.578 -2.660 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.976 -4.097 -10.290 1.00 0.00 H new ATOM 583 N VAL A 39 68.535 -4.140 -8.763 1.00 0.00 N ATOM 584 CA VAL A 39 69.097 -4.676 -7.493 1.00 0.00 C ATOM 585 C VAL A 39 70.392 -3.931 -7.156 1.00 0.00 C ATOM 586 O VAL A 39 70.607 -3.513 -6.035 1.00 0.00 O ATOM 587 CB VAL A 39 69.393 -6.169 -7.658 1.00 0.00 C ATOM 588 CG1 VAL A 39 69.804 -6.765 -6.311 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.138 -6.883 -8.169 1.00 0.00 C ATOM 0 H VAL A 39 68.650 -4.745 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 39 68.377 -4.536 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 39 70.205 -6.299 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.014 -7.828 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 39 70.697 -6.258 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 39 68.994 -6.635 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.347 -7.946 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.327 -6.750 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.846 -6.462 -9.131 1.00 0.00 H new ATOM 599 N ASP A 40 71.255 -3.759 -8.120 1.00 0.00 N ATOM 600 CA ASP A 40 72.534 -3.041 -7.858 1.00 0.00 C ATOM 601 C ASP A 40 72.250 -1.553 -7.643 1.00 0.00 C ATOM 602 O ASP A 40 72.739 -0.946 -6.710 1.00 0.00 O ATOM 603 CB ASP A 40 73.468 -3.211 -9.059 1.00 0.00 C ATOM 604 CG ASP A 40 74.922 -3.122 -8.592 1.00 0.00 C ATOM 605 OD1 ASP A 40 75.163 -2.471 -7.589 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.769 -3.706 -9.248 1.00 0.00 O ATOM 0 H ASP A 40 71.129 -4.085 -9.078 1.00 0.00 H new ATOM 0 HA ASP A 40 73.006 -3.454 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.288 -4.172 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.266 -2.440 -9.802 1.00 0.00 H new ATOM 611 N TYR A 41 71.465 -0.960 -8.500 1.00 0.00 N ATOM 612 CA TYR A 41 71.151 0.488 -8.349 1.00 0.00 C ATOM 613 C TYR A 41 70.571 0.742 -6.955 1.00 0.00 C ATOM 614 O TYR A 41 71.069 1.558 -6.206 1.00 0.00 O ATOM 615 CB TYR A 41 70.130 0.904 -9.409 1.00 0.00 C ATOM 616 CG TYR A 41 69.985 2.408 -9.407 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.877 3.198 -10.141 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.958 3.011 -8.671 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.742 4.591 -10.141 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.823 4.404 -8.671 1.00 0.00 C ATOM 621 CZ TYR A 41 69.714 5.195 -9.406 1.00 0.00 C ATOM 622 OH TYR A 41 69.580 6.568 -9.407 1.00 0.00 O ATOM 0 H TYR A 41 71.027 -1.417 -9.300 1.00 0.00 H new ATOM 0 HA TYR A 41 72.063 1.071 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.451 0.560 -10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.167 0.435 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.670 2.733 -10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 41 68.270 2.402 -8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.430 5.200 -10.708 1.00 0.00 H new ATOM 0 HE2 TYR A 41 68.031 4.869 -8.103 1.00 0.00 H new ATOM 0 HH TYR A 41 68.816 6.823 -8.848 1.00 0.00 H new ATOM 632 N LEU A 42 69.522 0.051 -6.602 1.00 0.00 N ATOM 633 CA LEU A 42 68.916 0.259 -5.258 1.00 0.00 C ATOM 634 C LEU A 42 70.015 0.219 -4.196 1.00 0.00 C ATOM 635 O LEU A 42 70.193 1.150 -3.436 1.00 0.00 O ATOM 636 CB LEU A 42 67.893 -0.845 -4.981 1.00 0.00 C ATOM 637 CG LEU A 42 66.526 -0.414 -5.515 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.538 -1.573 -5.385 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.020 0.782 -4.705 1.00 0.00 C ATOM 0 H LEU A 42 69.060 -0.647 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 42 68.417 1.227 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.206 -1.774 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.833 -1.040 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 42 66.617 -0.132 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.564 -1.265 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 42 65.900 -2.426 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.445 -1.856 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.046 1.092 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.929 0.499 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.725 1.609 -4.798 1.00 0.00 H new ATOM 651 N ALA A 43 70.752 -0.851 -4.140 1.00 0.00 N ATOM 652 CA ALA A 43 71.843 -0.955 -3.131 1.00 0.00 C ATOM 653 C ALA A 43 72.669 0.332 -3.138 1.00 0.00 C ATOM 654 O ALA A 43 73.059 0.837 -2.104 1.00 0.00 O ATOM 655 CB ALA A 43 72.746 -2.142 -3.476 1.00 0.00 C ATOM 0 H ALA A 43 70.647 -1.662 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 43 71.410 -1.103 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.544 -2.218 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.158 -3.060 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.179 -1.994 -4.465 1.00 0.00 H new ATOM 661 N GLY A 44 72.941 0.868 -4.298 1.00 0.00 N ATOM 662 CA GLY A 44 73.743 2.123 -4.370 1.00 0.00 C ATOM 663 C GLY A 44 73.011 3.243 -3.629 1.00 0.00 C ATOM 664 O GLY A 44 73.593 3.966 -2.845 1.00 0.00 O ATOM 0 H GLY A 44 72.643 0.491 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.727 1.964 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.902 2.405 -5.411 1.00 0.00 H new ATOM 668 N LYS A 45 71.737 3.395 -3.870 1.00 0.00 N ATOM 669 CA LYS A 45 70.970 4.469 -3.177 1.00 0.00 C ATOM 670 C LYS A 45 70.546 3.982 -1.790 1.00 0.00 C ATOM 671 O LYS A 45 69.841 4.663 -1.072 1.00 0.00 O ATOM 672 CB LYS A 45 69.727 4.819 -3.997 1.00 0.00 C ATOM 673 CG LYS A 45 70.150 5.495 -5.301 1.00 0.00 C ATOM 674 CD LYS A 45 70.738 6.872 -4.991 1.00 0.00 C ATOM 675 CE LYS A 45 71.154 7.554 -6.295 1.00 0.00 C ATOM 676 NZ LYS A 45 71.143 9.032 -6.106 1.00 0.00 N ATOM 0 H LYS A 45 71.195 2.822 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 45 71.598 5.354 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.154 3.917 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.076 5.481 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.886 4.881 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 45 69.293 5.595 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 45 70.003 7.483 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 45 71.599 6.771 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.149 7.222 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.472 7.274 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.426 9.497 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 70.186 9.341 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.810 9.290 -5.351 1.00 0.00 H new ATOM 690 N ILE A 46 70.968 2.808 -1.408 1.00 0.00 N ATOM 691 CA ILE A 46 70.589 2.277 -0.069 1.00 0.00 C ATOM 692 C ILE A 46 71.703 2.590 0.934 1.00 0.00 C ATOM 693 O ILE A 46 71.449 2.914 2.078 1.00 0.00 O ATOM 694 CB ILE A 46 70.385 0.760 -0.168 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.014 0.477 -0.785 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.456 0.126 1.225 1.00 0.00 C ATOM 697 CD1 ILE A 46 68.923 -0.996 -1.183 1.00 0.00 C ATOM 0 H ILE A 46 71.560 2.193 -1.967 1.00 0.00 H new ATOM 0 HA ILE A 46 69.663 2.744 0.267 1.00 0.00 H new ATOM 0 HB ILE A 46 71.170 0.333 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.226 0.720 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 46 68.860 1.110 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.310 -0.951 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.432 0.327 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 46 69.677 0.550 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 46 67.945 -1.195 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.701 -1.225 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.058 -1.621 -0.300 1.00 0.00 H new ATOM 709 N LYS A 47 72.933 2.494 0.514 1.00 0.00 N ATOM 710 CA LYS A 47 74.061 2.784 1.442 1.00 0.00 C ATOM 711 C LYS A 47 74.353 4.285 1.438 1.00 0.00 C ATOM 712 O LYS A 47 75.333 4.739 1.994 1.00 0.00 O ATOM 713 CB LYS A 47 75.305 2.019 0.985 1.00 0.00 C ATOM 714 CG LYS A 47 76.018 1.427 2.202 1.00 0.00 C ATOM 715 CD LYS A 47 77.473 1.119 1.842 1.00 0.00 C ATOM 716 CE LYS A 47 78.210 2.424 1.531 1.00 0.00 C ATOM 717 NZ LYS A 47 79.226 2.684 2.589 1.00 0.00 N ATOM 0 H LYS A 47 73.206 2.227 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 47 73.792 2.471 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.023 1.225 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.977 2.686 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.979 2.128 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.512 0.518 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.961 0.601 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.512 0.453 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.693 2.358 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.502 3.251 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.727 3.571 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.753 2.764 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.908 1.899 2.616 1.00 0.00 H new ATOM 731 N LYS A 48 73.509 5.063 0.814 1.00 0.00 N ATOM 732 CA LYS A 48 73.742 6.534 0.776 1.00 0.00 C ATOM 733 C LYS A 48 72.399 7.268 0.785 1.00 0.00 C ATOM 734 O LYS A 48 72.208 8.219 1.517 1.00 0.00 O ATOM 735 CB LYS A 48 74.511 6.893 -0.496 1.00 0.00 C ATOM 736 CG LYS A 48 75.951 7.270 -0.134 1.00 0.00 C ATOM 737 CD LYS A 48 76.924 6.457 -0.991 1.00 0.00 C ATOM 738 CE LYS A 48 77.742 7.402 -1.875 1.00 0.00 C ATOM 739 NZ LYS A 48 79.151 7.438 -1.391 1.00 0.00 N ATOM 0 H LYS A 48 72.670 4.743 0.330 1.00 0.00 H new ATOM 0 HA LYS A 48 74.322 6.832 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.507 6.049 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.024 7.724 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.111 8.336 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.133 7.078 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.588 5.874 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.374 5.748 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 48 77.711 7.066 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.312 8.403 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 79.708 8.080 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.172 7.777 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 79.558 6.482 -1.436 1.00 0.00 H new ATOM 753 N GLY A 49 71.467 6.838 -0.022 1.00 0.00 N ATOM 754 CA GLY A 49 70.140 7.519 -0.055 1.00 0.00 C ATOM 755 C GLY A 49 70.227 8.762 -0.942 1.00 0.00 C ATOM 756 O GLY A 49 70.257 8.670 -2.154 1.00 0.00 O ATOM 0 H GLY A 49 71.566 6.047 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 69.379 6.838 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 49 69.838 7.800 0.954 1.00 0.00 H new ATOM 760 N GLY A 50 70.270 9.925 -0.351 1.00 0.00 N ATOM 761 CA GLY A 50 70.357 11.171 -1.166 1.00 0.00 C ATOM 762 C GLY A 50 68.965 11.789 -1.310 1.00 0.00 C ATOM 763 O GLY A 50 68.009 11.337 -0.713 1.00 0.00 O ATOM 0 H GLY A 50 70.249 10.067 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.034 11.881 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 50 70.769 10.946 -2.150 1.00 0.00 H new ATOM 767 N SER A 51 68.843 12.822 -2.101 1.00 0.00 N ATOM 768 CA SER A 51 67.518 13.467 -2.286 1.00 0.00 C ATOM 769 C SER A 51 67.286 13.752 -3.770 1.00 0.00 C ATOM 770 O SER A 51 68.153 14.251 -4.459 1.00 0.00 O ATOM 771 CB SER A 51 67.475 14.782 -1.507 1.00 0.00 C ATOM 772 OG SER A 51 66.126 15.216 -1.393 1.00 0.00 O ATOM 0 H SER A 51 69.608 13.245 -2.627 1.00 0.00 H new ATOM 0 HA SER A 51 66.740 12.798 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.910 14.646 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 51 68.071 15.539 -2.016 1.00 0.00 H new ATOM 0 HG SER A 51 66.084 16.188 -1.511 1.00 0.00 H new ATOM 778 N GLY A 52 66.121 13.442 -4.267 1.00 0.00 N ATOM 779 CA GLY A 52 65.835 13.700 -5.706 1.00 0.00 C ATOM 780 C GLY A 52 65.120 12.491 -6.310 1.00 0.00 C ATOM 781 O GLY A 52 64.365 12.613 -7.255 1.00 0.00 O ATOM 0 H GLY A 52 65.356 13.022 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.216 14.591 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.764 13.892 -6.243 1.00 0.00 H new ATOM 785 N VAL A 53 65.352 11.326 -5.774 1.00 0.00 N ATOM 786 CA VAL A 53 64.686 10.110 -6.317 1.00 0.00 C ATOM 787 C VAL A 53 63.311 9.951 -5.664 1.00 0.00 C ATOM 788 O VAL A 53 62.499 9.156 -6.093 1.00 0.00 O ATOM 789 CB VAL A 53 65.545 8.881 -6.012 1.00 0.00 C ATOM 790 CG1 VAL A 53 64.882 7.634 -6.597 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.930 9.062 -6.640 1.00 0.00 C ATOM 0 H VAL A 53 65.975 11.163 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 53 64.566 10.208 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 53 65.644 8.766 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.495 6.760 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.895 7.505 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.783 7.747 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.544 8.188 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.828 9.177 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.405 9.951 -6.224 1.00 0.00 H new ATOM 801 N TRP A 54 63.045 10.699 -4.628 1.00 0.00 N ATOM 802 CA TRP A 54 61.724 10.587 -3.947 1.00 0.00 C ATOM 803 C TRP A 54 61.222 11.977 -3.554 1.00 0.00 C ATOM 804 O TRP A 54 60.345 12.118 -2.725 1.00 0.00 O ATOM 805 CB TRP A 54 61.871 9.727 -2.693 1.00 0.00 C ATOM 806 CG TRP A 54 62.022 8.296 -3.092 1.00 0.00 C ATOM 807 CD1 TRP A 54 63.202 7.655 -3.251 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.983 7.321 -3.387 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.952 6.347 -3.625 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.599 6.092 -3.721 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.578 7.383 -3.396 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.848 4.964 -4.054 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.818 6.249 -3.729 1.00 0.00 C ATOM 814 CH2 TRP A 54 59.453 5.043 -4.058 1.00 0.00 C ATOM 0 H TRP A 54 63.685 11.383 -4.224 1.00 0.00 H new ATOM 0 HA TRP A 54 61.008 10.126 -4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.738 10.049 -2.116 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.998 9.848 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 54 64.179 8.093 -3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.679 5.655 -3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 54 59.080 8.308 -3.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 61.341 4.037 -4.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.740 6.307 -3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.864 4.175 -4.315 1.00 0.00 H new ATOM 825 N GLY A 55 61.770 13.007 -4.138 1.00 0.00 N ATOM 826 CA GLY A 55 61.318 14.384 -3.792 1.00 0.00 C ATOM 827 C GLY A 55 62.492 15.185 -3.228 1.00 0.00 C ATOM 828 O GLY A 55 63.642 14.885 -3.484 1.00 0.00 O ATOM 0 H GLY A 55 62.510 12.955 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.919 14.879 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.511 14.339 -3.061 1.00 0.00 H new ATOM 832 N SER A 56 62.212 16.204 -2.462 1.00 0.00 N ATOM 833 CA SER A 56 63.312 17.025 -1.885 1.00 0.00 C ATOM 834 C SER A 56 63.632 16.535 -0.470 1.00 0.00 C ATOM 835 O SER A 56 63.856 17.317 0.432 1.00 0.00 O ATOM 836 CB SER A 56 62.880 18.491 -1.832 1.00 0.00 C ATOM 837 OG SER A 56 63.394 19.173 -2.970 1.00 0.00 O ATOM 0 H SER A 56 61.269 16.503 -2.211 1.00 0.00 H new ATOM 0 HA SER A 56 64.200 16.930 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 56 61.792 18.561 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.247 18.957 -0.918 1.00 0.00 H new ATOM 0 HG SER A 56 63.118 20.113 -2.941 1.00 0.00 H new ATOM 843 N VAL A 57 63.663 15.246 -0.271 1.00 0.00 N ATOM 844 CA VAL A 57 63.978 14.707 1.083 1.00 0.00 C ATOM 845 C VAL A 57 65.206 13.790 0.984 1.00 0.00 C ATOM 846 O VAL A 57 65.124 12.716 0.424 1.00 0.00 O ATOM 847 CB VAL A 57 62.784 13.904 1.609 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.758 13.975 3.136 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.483 14.491 1.054 1.00 0.00 C ATOM 0 H VAL A 57 63.484 14.542 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 57 64.185 15.531 1.766 1.00 0.00 H new ATOM 0 HB VAL A 57 62.879 12.866 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.909 13.404 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.682 13.557 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.664 15.014 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.636 13.918 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.388 15.529 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.498 14.444 -0.035 1.00 0.00 H new ATOM 859 N PRO A 58 66.313 14.245 1.521 1.00 0.00 N ATOM 860 CA PRO A 58 67.577 13.484 1.494 1.00 0.00 C ATOM 861 C PRO A 58 67.576 12.371 2.546 1.00 0.00 C ATOM 862 O PRO A 58 67.064 12.531 3.635 1.00 0.00 O ATOM 863 CB PRO A 58 68.637 14.537 1.825 1.00 0.00 C ATOM 864 CG PRO A 58 67.902 15.678 2.568 1.00 0.00 C ATOM 865 CD PRO A 58 66.411 15.553 2.203 1.00 0.00 C ATOM 0 HA PRO A 58 67.748 12.989 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.425 14.113 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.113 14.908 0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 58 68.045 15.594 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 58 68.294 16.650 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.779 15.588 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.091 16.367 1.552 1.00 0.00 H new ATOM 873 N MET A 59 68.160 11.248 2.225 1.00 0.00 N ATOM 874 CA MET A 59 68.210 10.123 3.201 1.00 0.00 C ATOM 875 C MET A 59 69.659 9.941 3.674 1.00 0.00 C ATOM 876 O MET A 59 70.578 10.036 2.887 1.00 0.00 O ATOM 877 CB MET A 59 67.727 8.836 2.524 1.00 0.00 C ATOM 878 CG MET A 59 67.956 7.642 3.453 1.00 0.00 C ATOM 879 SD MET A 59 68.136 6.136 2.465 1.00 0.00 S ATOM 880 CE MET A 59 69.445 5.369 3.452 1.00 0.00 C ATOM 0 H MET A 59 68.605 11.061 1.327 1.00 0.00 H new ATOM 0 HA MET A 59 67.567 10.343 4.053 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.668 8.919 2.278 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.261 8.686 1.586 1.00 0.00 H new ATOM 0 HG2 MET A 59 68.849 7.803 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.119 7.539 4.144 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.473 4.298 3.250 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.406 5.813 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.246 5.533 4.511 1.00 0.00 H new ATOM 890 N PRO A 60 69.817 9.687 4.947 1.00 0.00 N ATOM 891 CA PRO A 60 71.146 9.491 5.555 1.00 0.00 C ATOM 892 C PRO A 60 71.667 8.079 5.261 1.00 0.00 C ATOM 893 O PRO A 60 70.893 7.162 5.072 1.00 0.00 O ATOM 894 CB PRO A 60 70.883 9.673 7.053 1.00 0.00 C ATOM 895 CG PRO A 60 69.376 9.396 7.270 1.00 0.00 C ATOM 896 CD PRO A 60 68.694 9.571 5.899 1.00 0.00 C ATOM 0 HA PRO A 60 71.900 10.179 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.492 8.986 7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.142 10.682 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.219 8.388 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 60 68.957 10.086 8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.056 8.720 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.062 10.459 5.879 1.00 0.00 H new ATOM 904 N PRO A 61 72.970 7.948 5.238 1.00 0.00 N ATOM 905 CA PRO A 61 73.634 6.661 4.976 1.00 0.00 C ATOM 906 C PRO A 61 73.604 5.786 6.233 1.00 0.00 C ATOM 907 O PRO A 61 73.537 6.279 7.341 1.00 0.00 O ATOM 908 CB PRO A 61 75.068 7.059 4.619 1.00 0.00 C ATOM 909 CG PRO A 61 75.296 8.461 5.235 1.00 0.00 C ATOM 910 CD PRO A 61 73.901 9.072 5.468 1.00 0.00 C ATOM 0 HA PRO A 61 73.154 6.081 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.782 6.338 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.208 7.082 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.848 8.387 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.886 9.087 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.804 9.469 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.708 9.896 4.782 1.00 0.00 H new ATOM 918 N GLN A 62 73.650 4.493 6.070 1.00 0.00 N ATOM 919 CA GLN A 62 73.617 3.593 7.257 1.00 0.00 C ATOM 920 C GLN A 62 74.904 2.766 7.309 1.00 0.00 C ATOM 921 O GLN A 62 75.864 3.053 6.624 1.00 0.00 O ATOM 922 CB GLN A 62 72.410 2.662 7.149 1.00 0.00 C ATOM 923 CG GLN A 62 71.191 3.459 6.681 1.00 0.00 C ATOM 924 CD GLN A 62 70.814 4.489 7.748 1.00 0.00 C ATOM 925 OE1 GLN A 62 71.498 4.628 8.743 1.00 0.00 O ATOM 926 NE2 GLN A 62 69.745 5.221 7.585 1.00 0.00 N ATOM 0 H GLN A 62 73.709 4.021 5.168 1.00 0.00 H new ATOM 0 HA GLN A 62 73.537 4.188 8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.621 1.855 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.206 2.200 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.411 3.960 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.353 2.787 6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.170 5.105 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.485 5.908 8.292 1.00 0.00 H new ATOM 935 N ASN A 63 74.930 1.745 8.120 1.00 0.00 N ATOM 936 CA ASN A 63 76.155 0.903 8.218 1.00 0.00 C ATOM 937 C ASN A 63 75.861 -0.495 7.670 1.00 0.00 C ATOM 938 O ASN A 63 75.667 -1.435 8.414 1.00 0.00 O ATOM 939 CB ASN A 63 76.587 0.797 9.681 1.00 0.00 C ATOM 940 CG ASN A 63 78.049 0.356 9.751 1.00 0.00 C ATOM 941 OD1 ASN A 63 78.360 -0.676 10.310 1.00 0.00 O ATOM 942 ND2 ASN A 63 78.969 1.103 9.201 1.00 0.00 N ATOM 0 H ASN A 63 74.156 1.457 8.719 1.00 0.00 H new ATOM 0 HA ASN A 63 76.955 1.360 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.462 1.759 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 63 75.955 0.082 10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 63 79.948 0.819 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 63 78.708 1.970 8.731 1.00 0.00 H new ATOM 949 N VAL A 64 75.827 -0.638 6.374 1.00 0.00 N ATOM 950 CA VAL A 64 75.546 -1.975 5.780 1.00 0.00 C ATOM 951 C VAL A 64 76.556 -2.259 4.668 1.00 0.00 C ATOM 952 O VAL A 64 77.052 -1.358 4.022 1.00 0.00 O ATOM 953 CB VAL A 64 74.131 -1.988 5.199 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.115 -1.756 6.320 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.999 -0.875 4.155 1.00 0.00 C ATOM 0 H VAL A 64 75.982 0.113 5.701 1.00 0.00 H new ATOM 0 HA VAL A 64 75.628 -2.741 6.551 1.00 0.00 H new ATOM 0 HB VAL A 64 73.940 -2.953 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.107 -1.765 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.208 -2.546 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.305 -0.791 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.991 -0.883 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.190 0.090 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.722 -1.038 3.356 1.00 0.00 H new ATOM 965 N THR A 65 76.859 -3.507 4.435 1.00 0.00 N ATOM 966 CA THR A 65 77.833 -3.848 3.361 1.00 0.00 C ATOM 967 C THR A 65 77.096 -3.928 2.024 1.00 0.00 C ATOM 968 O THR A 65 75.892 -4.074 1.979 1.00 0.00 O ATOM 969 CB THR A 65 78.483 -5.201 3.667 1.00 0.00 C ATOM 970 OG1 THR A 65 78.462 -5.427 5.069 1.00 0.00 O ATOM 971 CG2 THR A 65 79.928 -5.198 3.168 1.00 0.00 C ATOM 0 H THR A 65 76.474 -4.304 4.942 1.00 0.00 H new ATOM 0 HA THR A 65 78.606 -3.081 3.311 1.00 0.00 H new ATOM 0 HB THR A 65 77.930 -5.994 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.876 -6.293 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.390 -6.161 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 65 79.941 -5.024 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.485 -4.407 3.670 1.00 0.00 H new ATOM 979 N ASP A 66 77.805 -3.833 0.935 1.00 0.00 N ATOM 980 CA ASP A 66 77.135 -3.905 -0.392 1.00 0.00 C ATOM 981 C ASP A 66 76.297 -5.182 -0.471 1.00 0.00 C ATOM 982 O ASP A 66 75.221 -5.197 -1.036 1.00 0.00 O ATOM 983 CB ASP A 66 78.193 -3.914 -1.498 1.00 0.00 C ATOM 984 CG ASP A 66 78.296 -2.518 -2.116 1.00 0.00 C ATOM 985 OD1 ASP A 66 78.745 -1.617 -1.426 1.00 0.00 O ATOM 986 OD2 ASP A 66 77.927 -2.372 -3.269 1.00 0.00 O ATOM 0 H ASP A 66 78.817 -3.709 0.906 1.00 0.00 H new ATOM 0 HA ASP A 66 76.486 -3.039 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.158 -4.215 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 66 77.928 -4.644 -2.263 1.00 0.00 H new ATOM 991 N ALA A 67 76.778 -6.255 0.097 1.00 0.00 N ATOM 992 CA ALA A 67 76.003 -7.527 0.058 1.00 0.00 C ATOM 993 C ALA A 67 74.675 -7.325 0.788 1.00 0.00 C ATOM 994 O ALA A 67 73.631 -7.736 0.323 1.00 0.00 O ATOM 995 CB ALA A 67 76.801 -8.635 0.747 1.00 0.00 C ATOM 0 H ALA A 67 77.672 -6.305 0.585 1.00 0.00 H new ATOM 0 HA ALA A 67 75.815 -7.811 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.233 -9.565 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.751 -8.774 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.989 -8.357 1.784 1.00 0.00 H new ATOM 1001 N GLU A 68 74.707 -6.691 1.929 1.00 0.00 N ATOM 1002 CA GLU A 68 73.448 -6.459 2.685 1.00 0.00 C ATOM 1003 C GLU A 68 72.492 -5.640 1.823 1.00 0.00 C ATOM 1004 O GLU A 68 71.357 -6.016 1.603 1.00 0.00 O ATOM 1005 CB GLU A 68 73.757 -5.697 3.974 1.00 0.00 C ATOM 1006 CG GLU A 68 74.058 -6.694 5.095 1.00 0.00 C ATOM 1007 CD GLU A 68 75.571 -6.869 5.232 1.00 0.00 C ATOM 1008 OE1 GLU A 68 76.158 -7.483 4.357 1.00 0.00 O ATOM 1009 OE2 GLU A 68 76.117 -6.385 6.209 1.00 0.00 O ATOM 0 H GLU A 68 75.552 -6.325 2.368 1.00 0.00 H new ATOM 0 HA GLU A 68 72.989 -7.415 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.610 -5.035 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.910 -5.068 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.636 -6.338 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 68 73.589 -7.654 4.878 1.00 0.00 H new ATOM 1016 N ALA A 69 72.944 -4.527 1.324 1.00 0.00 N ATOM 1017 CA ALA A 69 72.065 -3.688 0.466 1.00 0.00 C ATOM 1018 C ALA A 69 71.431 -4.575 -0.602 1.00 0.00 C ATOM 1019 O ALA A 69 70.322 -4.344 -1.042 1.00 0.00 O ATOM 1020 CB ALA A 69 72.900 -2.592 -0.201 1.00 0.00 C ATOM 0 H ALA A 69 73.884 -4.161 1.473 1.00 0.00 H new ATOM 0 HA ALA A 69 71.285 -3.224 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.257 -1.977 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.362 -1.969 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 69 73.677 -3.049 -0.814 1.00 0.00 H new ATOM 1026 N LYS A 70 72.129 -5.596 -1.018 1.00 0.00 N ATOM 1027 CA LYS A 70 71.578 -6.512 -2.050 1.00 0.00 C ATOM 1028 C LYS A 70 70.378 -7.261 -1.470 1.00 0.00 C ATOM 1029 O LYS A 70 69.344 -7.376 -2.097 1.00 0.00 O ATOM 1030 CB LYS A 70 72.654 -7.518 -2.462 1.00 0.00 C ATOM 1031 CG LYS A 70 72.695 -7.631 -3.987 1.00 0.00 C ATOM 1032 CD LYS A 70 74.137 -7.873 -4.440 1.00 0.00 C ATOM 1033 CE LYS A 70 74.881 -6.538 -4.505 1.00 0.00 C ATOM 1034 NZ LYS A 70 75.336 -6.293 -5.902 1.00 0.00 N ATOM 0 H LYS A 70 73.063 -5.834 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 70 71.265 -5.937 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.626 -7.201 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.443 -8.492 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.056 -8.449 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 70 72.308 -6.719 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.639 -8.548 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 70 74.147 -8.355 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 70 74.229 -5.729 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 70 75.736 -6.552 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 75.842 -5.386 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 75.972 -7.060 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 74.512 -6.262 -6.535 1.00 0.00 H new ATOM 1048 N GLN A 71 70.507 -7.775 -0.275 1.00 0.00 N ATOM 1049 CA GLN A 71 69.375 -8.516 0.342 1.00 0.00 C ATOM 1050 C GLN A 71 68.255 -7.535 0.688 1.00 0.00 C ATOM 1051 O GLN A 71 67.125 -7.920 0.893 1.00 0.00 O ATOM 1052 CB GLN A 71 69.855 -9.234 1.613 1.00 0.00 C ATOM 1053 CG GLN A 71 69.884 -8.258 2.794 1.00 0.00 C ATOM 1054 CD GLN A 71 68.651 -8.484 3.672 1.00 0.00 C ATOM 1055 OE1 GLN A 71 67.663 -7.631 3.624 1.00 0.00 O flip ATOM 1056 NE2 GLN A 71 68.586 -9.447 4.409 1.00 0.00 N flip ATOM 0 H GLN A 71 71.349 -7.712 0.298 1.00 0.00 H new ATOM 0 HA GLN A 71 68.999 -9.258 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 71 69.193 -10.070 1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.850 -9.650 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.792 -8.405 3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.902 -7.231 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 71 69.357 -10.113 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.760 -9.590 4.990 1.00 0.00 H new ATOM 1065 N LEU A 72 68.563 -6.269 0.754 1.00 0.00 N ATOM 1066 CA LEU A 72 67.514 -5.268 1.085 1.00 0.00 C ATOM 1067 C LEU A 72 66.731 -4.928 -0.183 1.00 0.00 C ATOM 1068 O LEU A 72 65.565 -4.595 -0.134 1.00 0.00 O ATOM 1069 CB LEU A 72 68.167 -4.002 1.644 1.00 0.00 C ATOM 1070 CG LEU A 72 68.620 -4.254 3.083 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.903 -3.470 3.360 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.526 -3.797 4.051 1.00 0.00 C ATOM 0 H LEU A 72 69.495 -5.886 0.593 1.00 0.00 H new ATOM 0 HA LEU A 72 66.838 -5.679 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.020 -3.717 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.461 -3.172 1.614 1.00 0.00 H new ATOM 0 HG LEU A 72 68.807 -5.319 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.225 -3.650 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.684 -3.795 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.716 -2.405 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.849 -3.977 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.338 -2.733 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.611 -4.356 3.856 1.00 0.00 H new ATOM 1084 N ALA A 73 67.360 -5.024 -1.321 1.00 0.00 N ATOM 1085 CA ALA A 73 66.645 -4.721 -2.590 1.00 0.00 C ATOM 1086 C ALA A 73 65.942 -5.990 -3.072 1.00 0.00 C ATOM 1087 O ALA A 73 64.935 -5.939 -3.750 1.00 0.00 O ATOM 1088 CB ALA A 73 67.644 -4.248 -3.648 1.00 0.00 C ATOM 0 H ALA A 73 68.337 -5.299 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 73 65.912 -3.932 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.115 -4.028 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.149 -3.348 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.381 -5.031 -3.828 1.00 0.00 H new ATOM 1094 N GLN A 74 66.460 -7.133 -2.707 1.00 0.00 N ATOM 1095 CA GLN A 74 65.815 -8.409 -3.123 1.00 0.00 C ATOM 1096 C GLN A 74 64.672 -8.707 -2.154 1.00 0.00 C ATOM 1097 O GLN A 74 63.631 -9.204 -2.534 1.00 0.00 O ATOM 1098 CB GLN A 74 66.839 -9.546 -3.074 1.00 0.00 C ATOM 1099 CG GLN A 74 67.471 -9.728 -4.455 1.00 0.00 C ATOM 1100 CD GLN A 74 67.725 -11.215 -4.708 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.812 -11.707 -4.476 1.00 0.00 O ATOM 1102 NE2 GLN A 74 66.760 -11.959 -5.176 1.00 0.00 N ATOM 0 H GLN A 74 67.301 -7.236 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 74 65.434 -8.322 -4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.610 -9.323 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.356 -10.471 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.812 -9.325 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.407 -9.173 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.847 -11.547 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 74 66.919 -12.952 -5.347 1.00 0.00 H new ATOM 1111 N TRP A 75 64.861 -8.388 -0.903 1.00 0.00 N ATOM 1112 CA TRP A 75 63.790 -8.630 0.102 1.00 0.00 C ATOM 1113 C TRP A 75 62.739 -7.524 -0.029 1.00 0.00 C ATOM 1114 O TRP A 75 61.551 -7.773 0.024 1.00 0.00 O ATOM 1115 CB TRP A 75 64.405 -8.618 1.508 1.00 0.00 C ATOM 1116 CG TRP A 75 63.350 -8.354 2.536 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.253 -9.118 2.746 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.280 -7.262 3.495 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.513 -8.562 3.776 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.106 -7.416 4.269 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.114 -6.164 3.762 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.773 -6.510 5.277 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.782 -5.249 4.777 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.613 -5.423 5.531 1.00 0.00 C ATOM 0 H TRP A 75 65.714 -7.969 -0.533 1.00 0.00 H new ATOM 0 HA TRP A 75 63.319 -9.599 -0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.887 -9.575 1.709 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.179 -7.853 1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.997 -10.014 2.200 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.638 -8.951 4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.015 -6.022 3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.872 -6.648 5.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.430 -4.409 4.976 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.362 -4.717 6.308 1.00 0.00 H new ATOM 1135 N ILE A 76 63.167 -6.302 -0.205 1.00 0.00 N ATOM 1136 CA ILE A 76 62.191 -5.187 -0.347 1.00 0.00 C ATOM 1137 C ILE A 76 61.396 -5.374 -1.642 1.00 0.00 C ATOM 1138 O ILE A 76 60.201 -5.168 -1.683 1.00 0.00 O ATOM 1139 CB ILE A 76 62.941 -3.853 -0.392 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.460 -3.514 1.009 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.994 -2.746 -0.865 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.573 -2.468 0.904 1.00 0.00 C ATOM 0 H ILE A 76 64.149 -6.030 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 76 61.509 -5.187 0.503 1.00 0.00 H new ATOM 0 HB ILE A 76 63.779 -3.932 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.647 -3.134 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.837 -4.413 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.530 -1.797 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.623 -2.986 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.154 -2.666 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.942 -2.227 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.390 -2.865 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.181 -1.566 0.435 1.00 0.00 H new ATOM 1154 N LEU A 77 62.052 -5.773 -2.700 1.00 0.00 N ATOM 1155 CA LEU A 77 61.329 -5.981 -3.986 1.00 0.00 C ATOM 1156 C LEU A 77 60.369 -7.161 -3.834 1.00 0.00 C ATOM 1157 O LEU A 77 59.252 -7.134 -4.314 1.00 0.00 O ATOM 1158 CB LEU A 77 62.336 -6.286 -5.098 1.00 0.00 C ATOM 1159 CG LEU A 77 62.968 -4.982 -5.586 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.258 -5.294 -6.346 1.00 0.00 C ATOM 1161 CD2 LEU A 77 61.990 -4.260 -6.516 1.00 0.00 C ATOM 0 H LEU A 77 63.054 -5.963 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 77 60.771 -5.080 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.108 -6.961 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 77 61.838 -6.793 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 77 63.195 -4.345 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.709 -4.365 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 77 64.954 -5.810 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.031 -5.930 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.439 -3.330 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.764 -4.897 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.070 -4.038 -5.975 1.00 0.00 H new ATOM 1173 N SER A 78 60.795 -8.197 -3.163 1.00 0.00 N ATOM 1174 CA SER A 78 59.907 -9.378 -2.973 1.00 0.00 C ATOM 1175 C SER A 78 58.650 -8.945 -2.219 1.00 0.00 C ATOM 1176 O SER A 78 57.559 -9.402 -2.498 1.00 0.00 O ATOM 1177 CB SER A 78 60.645 -10.444 -2.163 1.00 0.00 C ATOM 1178 OG SER A 78 60.593 -11.682 -2.858 1.00 0.00 O ATOM 0 H SER A 78 61.719 -8.276 -2.739 1.00 0.00 H new ATOM 0 HA SER A 78 59.629 -9.789 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.681 -10.145 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.191 -10.548 -1.178 1.00 0.00 H new ATOM 0 HG SER A 78 61.067 -12.367 -2.342 1.00 0.00 H new ATOM 1184 N ILE A 79 58.793 -8.064 -1.268 1.00 0.00 N ATOM 1185 CA ILE A 79 57.607 -7.597 -0.498 1.00 0.00 C ATOM 1186 C ILE A 79 56.586 -6.993 -1.468 1.00 0.00 C ATOM 1187 O ILE A 79 56.810 -5.954 -2.056 1.00 0.00 O ATOM 1188 CB ILE A 79 58.054 -6.546 0.531 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.614 -7.259 1.765 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.865 -5.674 0.948 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.123 -6.225 2.771 1.00 0.00 C ATOM 0 H ILE A 79 59.682 -7.647 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 79 57.146 -8.433 0.028 1.00 0.00 H new ATOM 0 HB ILE A 79 58.820 -5.912 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 79 57.841 -7.876 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.424 -7.927 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.195 -4.934 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.461 -5.166 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.092 -6.301 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.521 -6.736 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 79 59.910 -5.627 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.302 -5.575 3.071 1.00 0.00 H new ATOM 1203 N LYS A 80 55.466 -7.641 -1.641 1.00 0.00 N ATOM 1204 CA LYS A 80 54.433 -7.109 -2.573 1.00 0.00 C ATOM 1205 C LYS A 80 54.272 -5.604 -2.351 1.00 0.00 C ATOM 1206 O LYS A 80 54.473 -5.166 -1.230 1.00 0.00 O ATOM 1207 CB LYS A 80 53.098 -7.811 -2.313 1.00 0.00 C ATOM 1208 CG LYS A 80 52.592 -8.446 -3.610 1.00 0.00 C ATOM 1209 CD LYS A 80 51.348 -7.698 -4.096 1.00 0.00 C ATOM 1210 CE LYS A 80 50.511 -8.621 -4.984 1.00 0.00 C ATOM 1211 NZ LYS A 80 49.757 -9.583 -4.132 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.952 -4.916 -3.305 1.00 0.00 O ATOM 0 H LYS A 80 55.222 -8.516 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 80 54.743 -7.293 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.221 -8.575 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 80 52.367 -7.096 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 80 53.371 -8.411 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.355 -9.497 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 80 50.757 -7.362 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 80 51.640 -6.808 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 80 49.819 -8.033 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 80 51.157 -9.161 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 48.997 -10.021 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 50.403 -10.322 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 49.344 -9.079 -3.321 1.00 0.00 H new