USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 441 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 NoAdj-H: A 14 HIS HD1 : A 14 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.438! USER MOD Single : A 8 HIS : no HD1:sc=-0.00649 X(o=-0.0065,f=-0.0065) USER MOD Single : A 10 MET CE :methyl -113:sc= -2.03 (180deg=-3.65) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 25 THR OG1 : rot -130:sc= -1.05 USER MOD Single : A 30 THR OG1 : rot 57:sc= 0.156 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 145:sc= -3.53! (180deg=-7.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.89) USER MOD Single : A 55 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc=-0.00333 (180deg=-0.105) USER MOD Single : A 57 THR OG1 : rot 30:sc= 0.0692 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.059 -14.941 -5.985 1.00 0.00 N ATOM 2 CA GLY A 1 24.225 -14.354 -7.018 1.00 0.00 C ATOM 3 C GLY A 1 23.532 -13.088 -6.553 1.00 0.00 C ATOM 4 O GLY A 1 23.880 -11.988 -6.983 1.00 0.00 O ATOM 0 H1 GLY A 1 25.510 -15.803 -6.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.792 -14.260 -5.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.473 -15.181 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.837 -14.130 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.476 -15.080 -7.332 1.00 0.00 H new ATOM 8 N SER A 2 22.547 -13.244 -5.674 1.00 0.00 N ATOM 9 CA SER A 2 21.800 -12.105 -5.155 1.00 0.00 C ATOM 10 C SER A 2 21.984 -11.976 -3.646 1.00 0.00 C ATOM 11 O SER A 2 21.174 -12.475 -2.865 1.00 0.00 O ATOM 12 CB SER A 2 20.313 -12.249 -5.487 1.00 0.00 C ATOM 13 OG SER A 2 20.115 -12.402 -6.882 1.00 0.00 O ATOM 0 H SER A 2 22.248 -14.147 -5.307 1.00 0.00 H new ATOM 0 HA SER A 2 22.186 -11.203 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.901 -13.111 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.771 -11.372 -5.134 1.00 0.00 H new ATOM 0 HG SER A 2 19.157 -12.494 -7.068 1.00 0.00 H new ATOM 19 N SER A 3 23.057 -11.302 -3.243 1.00 0.00 N ATOM 20 CA SER A 3 23.352 -11.110 -1.828 1.00 0.00 C ATOM 21 C SER A 3 22.544 -9.948 -1.257 1.00 0.00 C ATOM 22 O SER A 3 22.614 -8.825 -1.754 1.00 0.00 O ATOM 23 CB SER A 3 24.847 -10.853 -1.627 1.00 0.00 C ATOM 24 OG SER A 3 25.589 -12.056 -1.730 1.00 0.00 O ATOM 0 H SER A 3 23.736 -10.880 -3.876 1.00 0.00 H new ATOM 0 HA SER A 3 23.072 -12.020 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.200 -10.139 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.013 -10.402 -0.649 1.00 0.00 H new ATOM 0 HG SER A 3 26.541 -11.865 -1.600 1.00 0.00 H new ATOM 30 N GLY A 4 21.774 -10.229 -0.210 1.00 0.00 N ATOM 31 CA GLY A 4 20.963 -9.199 0.412 1.00 0.00 C ATOM 32 C GLY A 4 19.723 -8.871 -0.396 1.00 0.00 C ATOM 33 O GLY A 4 18.614 -8.848 0.138 1.00 0.00 O ATOM 0 H GLY A 4 21.698 -11.152 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.667 -9.526 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.561 -8.296 0.537 1.00 0.00 H new ATOM 37 N SER A 5 19.910 -8.615 -1.687 1.00 0.00 N ATOM 38 CA SER A 5 18.798 -8.282 -2.569 1.00 0.00 C ATOM 39 C SER A 5 17.585 -9.158 -2.269 1.00 0.00 C ATOM 40 O SER A 5 16.457 -8.671 -2.192 1.00 0.00 O ATOM 41 CB SER A 5 19.212 -8.448 -4.032 1.00 0.00 C ATOM 42 OG SER A 5 18.099 -8.304 -4.897 1.00 0.00 O ATOM 0 H SER A 5 20.821 -8.632 -2.145 1.00 0.00 H new ATOM 0 HA SER A 5 18.526 -7.242 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.971 -7.707 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.664 -9.429 -4.176 1.00 0.00 H new ATOM 0 HG SER A 5 18.391 -8.413 -5.826 1.00 0.00 H new ATOM 48 N SER A 6 17.826 -10.454 -2.102 1.00 0.00 N ATOM 49 CA SER A 6 16.755 -11.400 -1.814 1.00 0.00 C ATOM 50 C SER A 6 15.779 -10.822 -0.794 1.00 0.00 C ATOM 51 O SER A 6 16.165 -10.461 0.316 1.00 0.00 O ATOM 52 CB SER A 6 17.334 -12.717 -1.293 1.00 0.00 C ATOM 53 OG SER A 6 17.742 -12.595 0.058 1.00 0.00 O ATOM 0 H SER A 6 18.754 -10.873 -2.161 1.00 0.00 H new ATOM 0 HA SER A 6 16.214 -11.591 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.587 -13.506 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.184 -13.013 -1.908 1.00 0.00 H new ATOM 0 HG SER A 6 17.223 -11.887 0.494 1.00 0.00 H new ATOM 59 N GLY A 7 14.509 -10.738 -1.181 1.00 0.00 N ATOM 60 CA GLY A 7 13.496 -10.203 -0.290 1.00 0.00 C ATOM 61 C GLY A 7 12.703 -9.077 -0.923 1.00 0.00 C ATOM 62 O GLY A 7 12.280 -9.177 -2.075 1.00 0.00 O ATOM 0 H GLY A 7 14.164 -11.031 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.815 -11.002 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.973 -9.840 0.621 1.00 0.00 H new ATOM 66 N HIS A 8 12.500 -8.002 -0.169 1.00 0.00 N ATOM 67 CA HIS A 8 11.751 -6.852 -0.663 1.00 0.00 C ATOM 68 C HIS A 8 12.420 -5.546 -0.243 1.00 0.00 C ATOM 69 O HIS A 8 13.134 -5.480 0.757 1.00 0.00 O ATOM 70 CB HIS A 8 10.313 -6.891 -0.144 1.00 0.00 C ATOM 71 CG HIS A 8 9.503 -8.017 -0.710 1.00 0.00 C ATOM 72 ND1 HIS A 8 9.151 -9.132 0.020 1.00 0.00 N ATOM 73 CD2 HIS A 8 8.973 -8.194 -1.943 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.441 -9.948 -0.739 1.00 0.00 C ATOM 75 NE2 HIS A 8 8.319 -9.401 -1.936 1.00 0.00 N ATOM 0 H HIS A 8 12.843 -7.903 0.786 1.00 0.00 H new ATOM 0 HA HIS A 8 11.738 -6.900 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.330 -6.976 0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.824 -5.947 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.050 -7.512 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.031 -10.899 -0.434 1.00 0.00 H new ATOM 0 HE2 HIS A 8 7.820 -9.809 -2.726 1.00 0.00 H new ATOM 83 N PRO A 9 12.185 -4.482 -1.026 1.00 0.00 N ATOM 84 CA PRO A 9 12.756 -3.160 -0.755 1.00 0.00 C ATOM 85 C PRO A 9 12.147 -2.507 0.482 1.00 0.00 C ATOM 86 O PRO A 9 10.937 -2.567 0.694 1.00 0.00 O ATOM 87 CB PRO A 9 12.404 -2.358 -2.011 1.00 0.00 C ATOM 88 CG PRO A 9 11.193 -3.029 -2.561 1.00 0.00 C ATOM 89 CD PRO A 9 11.344 -4.488 -2.234 1.00 0.00 C ATOM 0 HA PRO A 9 13.825 -3.212 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.204 -1.314 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.223 -2.368 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.285 -2.621 -2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.117 -2.876 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.379 -4.960 -2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.816 -5.036 -3.050 1.00 0.00 H new ATOM 97 N MET A 10 12.995 -1.884 1.294 1.00 0.00 N ATOM 98 CA MET A 10 12.539 -1.219 2.509 1.00 0.00 C ATOM 99 C MET A 10 11.772 0.056 2.176 1.00 0.00 C ATOM 100 O MET A 10 11.844 0.561 1.055 1.00 0.00 O ATOM 101 CB MET A 10 13.728 -0.892 3.414 1.00 0.00 C ATOM 102 CG MET A 10 14.547 -2.111 3.806 1.00 0.00 C ATOM 103 SD MET A 10 15.689 -1.775 5.161 1.00 0.00 S ATOM 104 CE MET A 10 14.716 -2.315 6.565 1.00 0.00 C ATOM 0 H MET A 10 14.001 -1.826 1.133 1.00 0.00 H new ATOM 0 HA MET A 10 11.868 -1.898 3.035 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.376 -0.178 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.363 -0.404 4.318 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.874 -2.918 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.110 -2.460 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.460 -1.454 7.183 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.802 -2.793 6.212 1.00 0.00 H new ATOM 0 HE3 MET A 10 15.293 -3.027 7.155 1.00 0.00 H new ATOM 114 N CYS A 11 11.039 0.574 3.156 1.00 0.00 N ATOM 115 CA CYS A 11 10.258 1.791 2.966 1.00 0.00 C ATOM 116 C CYS A 11 11.090 2.869 2.279 1.00 0.00 C ATOM 117 O CYS A 11 12.320 2.855 2.342 1.00 0.00 O ATOM 118 CB CYS A 11 9.746 2.307 4.312 1.00 0.00 C ATOM 119 SG CYS A 11 8.638 3.748 4.183 1.00 0.00 S ATOM 0 H CYS A 11 10.969 0.170 4.090 1.00 0.00 H new ATOM 0 HA CYS A 11 9.407 1.552 2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.218 1.501 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.600 2.573 4.936 1.00 0.00 H new ATOM 124 N LYS A 12 10.411 3.804 1.623 1.00 0.00 N ATOM 125 CA LYS A 12 11.085 4.892 0.925 1.00 0.00 C ATOM 126 C LYS A 12 11.528 5.975 1.903 1.00 0.00 C ATOM 127 O LYS A 12 12.649 6.478 1.820 1.00 0.00 O ATOM 128 CB LYS A 12 10.161 5.495 -0.136 1.00 0.00 C ATOM 129 CG LYS A 12 10.186 4.750 -1.459 1.00 0.00 C ATOM 130 CD LYS A 12 9.588 5.584 -2.580 1.00 0.00 C ATOM 131 CE LYS A 12 10.643 6.443 -3.259 1.00 0.00 C ATOM 132 NZ LYS A 12 10.066 7.263 -4.360 1.00 0.00 N ATOM 0 H LYS A 12 9.393 3.830 1.560 1.00 0.00 H new ATOM 0 HA LYS A 12 11.970 4.484 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.140 5.505 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.447 6.533 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.213 4.486 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.631 3.817 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.123 4.927 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.800 6.222 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.107 7.099 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.431 5.804 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.817 7.834 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.646 6.637 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.332 7.892 -3.976 1.00 0.00 H new ATOM 146 N GLU A 13 10.643 6.328 2.829 1.00 0.00 N ATOM 147 CA GLU A 13 10.945 7.351 3.824 1.00 0.00 C ATOM 148 C GLU A 13 11.951 6.834 4.848 1.00 0.00 C ATOM 149 O GLU A 13 13.005 7.435 5.057 1.00 0.00 O ATOM 150 CB GLU A 13 9.664 7.799 4.532 1.00 0.00 C ATOM 151 CG GLU A 13 9.722 9.227 5.047 1.00 0.00 C ATOM 152 CD GLU A 13 10.761 9.413 6.136 1.00 0.00 C ATOM 153 OE1 GLU A 13 10.439 9.151 7.314 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.896 9.820 5.810 1.00 0.00 O ATOM 0 H GLU A 13 9.711 5.921 2.911 1.00 0.00 H new ATOM 0 HA GLU A 13 11.384 8.205 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.825 7.704 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.467 7.128 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.945 9.899 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.743 9.510 5.432 1.00 0.00 H new ATOM 161 N HIS A 14 11.618 5.715 5.484 1.00 0.00 N ATOM 162 CA HIS A 14 12.492 5.116 6.486 1.00 0.00 C ATOM 163 C HIS A 14 13.507 4.183 5.834 1.00 0.00 C ATOM 164 O HIS A 14 13.341 3.777 4.684 1.00 0.00 O ATOM 165 CB HIS A 14 11.666 4.349 7.520 1.00 0.00 C ATOM 166 CG HIS A 14 10.606 5.179 8.176 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.318 5.272 7.694 1.00 0.00 N ATOM 168 CD2 HIS A 14 10.649 5.956 9.283 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.614 6.071 8.476 1.00 0.00 C ATOM 170 NE2 HIS A 14 9.398 6.499 9.448 1.00 0.00 N ATOM 0 H HIS A 14 10.749 5.205 5.323 1.00 0.00 H new ATOM 0 HA HIS A 14 13.033 5.919 6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.197 3.493 7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.334 3.955 8.286 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.507 6.119 9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.574 6.330 8.343 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.120 7.130 10.199 1.00 0.00 H new ATOM 178 N GLU A 15 14.557 3.847 6.577 1.00 0.00 N ATOM 179 CA GLU A 15 15.600 2.963 6.069 1.00 0.00 C ATOM 180 C GLU A 15 15.829 1.791 7.018 1.00 0.00 C ATOM 181 O GLU A 15 15.977 0.648 6.585 1.00 0.00 O ATOM 182 CB GLU A 15 16.905 3.737 5.872 1.00 0.00 C ATOM 183 CG GLU A 15 17.409 4.412 7.137 1.00 0.00 C ATOM 184 CD GLU A 15 18.787 5.020 6.964 1.00 0.00 C ATOM 185 OE1 GLU A 15 19.007 5.711 5.947 1.00 0.00 O ATOM 186 OE2 GLU A 15 19.645 4.806 7.846 1.00 0.00 O ATOM 0 H GLU A 15 14.708 4.173 7.532 1.00 0.00 H new ATOM 0 HA GLU A 15 15.271 2.570 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.671 3.054 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.756 4.493 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.707 5.191 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.437 3.683 7.947 1.00 0.00 H new ATOM 193 N ASP A 16 15.857 2.083 8.314 1.00 0.00 N ATOM 194 CA ASP A 16 16.068 1.054 9.325 1.00 0.00 C ATOM 195 C ASP A 16 14.818 0.196 9.496 1.00 0.00 C ATOM 196 O ASP A 16 14.895 -1.032 9.511 1.00 0.00 O ATOM 197 CB ASP A 16 16.449 1.693 10.662 1.00 0.00 C ATOM 198 CG ASP A 16 17.947 1.865 10.815 1.00 0.00 C ATOM 199 OD1 ASP A 16 18.647 1.916 9.781 1.00 0.00 O ATOM 200 OD2 ASP A 16 18.420 1.949 11.967 1.00 0.00 O ATOM 0 H ASP A 16 15.736 3.024 8.689 1.00 0.00 H new ATOM 0 HA ASP A 16 16.884 0.413 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.964 2.665 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.072 1.075 11.477 1.00 0.00 H new ATOM 205 N GLU A 17 13.669 0.852 9.625 1.00 0.00 N ATOM 206 CA GLU A 17 12.403 0.148 9.796 1.00 0.00 C ATOM 207 C GLU A 17 12.077 -0.693 8.565 1.00 0.00 C ATOM 208 O GLU A 17 12.359 -0.294 7.434 1.00 0.00 O ATOM 209 CB GLU A 17 11.272 1.143 10.062 1.00 0.00 C ATOM 210 CG GLU A 17 11.340 1.790 11.435 1.00 0.00 C ATOM 211 CD GLU A 17 10.337 2.914 11.601 1.00 0.00 C ATOM 212 OE1 GLU A 17 9.926 3.499 10.578 1.00 0.00 O ATOM 213 OE2 GLU A 17 9.962 3.209 12.756 1.00 0.00 O ATOM 0 H GLU A 17 13.589 1.869 9.614 1.00 0.00 H new ATOM 0 HA GLU A 17 12.500 -0.518 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.299 1.923 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.316 0.630 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.161 1.033 12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.345 2.178 11.600 1.00 0.00 H new ATOM 220 N LYS A 18 11.482 -1.859 8.793 1.00 0.00 N ATOM 221 CA LYS A 18 11.116 -2.757 7.704 1.00 0.00 C ATOM 222 C LYS A 18 9.658 -2.557 7.300 1.00 0.00 C ATOM 223 O LYS A 18 8.918 -1.825 7.958 1.00 0.00 O ATOM 224 CB LYS A 18 11.347 -4.212 8.117 1.00 0.00 C ATOM 225 CG LYS A 18 12.751 -4.712 7.826 1.00 0.00 C ATOM 226 CD LYS A 18 13.061 -5.985 8.594 1.00 0.00 C ATOM 227 CE LYS A 18 13.516 -5.683 10.014 1.00 0.00 C ATOM 228 NZ LYS A 18 13.312 -6.846 10.921 1.00 0.00 N ATOM 0 H LYS A 18 11.243 -2.204 9.723 1.00 0.00 H new ATOM 0 HA LYS A 18 11.747 -2.524 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.148 -4.314 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.629 -4.847 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.858 -4.896 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.475 -3.941 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.175 -6.619 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.838 -6.545 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.571 -5.409 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.966 -4.823 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.634 -6.600 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.302 -7.092 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.857 -7.659 10.571 1.00 0.00 H new ATOM 242 N ILE A 19 9.254 -3.212 6.218 1.00 0.00 N ATOM 243 CA ILE A 19 7.885 -3.108 5.729 1.00 0.00 C ATOM 244 C ILE A 19 6.930 -3.931 6.588 1.00 0.00 C ATOM 245 O ILE A 19 7.049 -5.152 6.669 1.00 0.00 O ATOM 246 CB ILE A 19 7.772 -3.574 4.266 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.745 -2.792 3.382 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.344 -3.409 3.766 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.506 -1.298 3.395 1.00 0.00 C ATOM 0 H ILE A 19 9.855 -3.821 5.663 1.00 0.00 H new ATOM 0 HA ILE A 19 7.609 -2.055 5.789 1.00 0.00 H new ATOM 0 HB ILE A 19 8.034 -4.631 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.764 -2.992 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.665 -3.156 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.280 -3.743 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.672 -4.006 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.056 -2.360 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.232 -0.808 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.499 -1.088 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.615 -0.921 4.412 1.00 0.00 H new ATOM 261 N ASN A 20 5.983 -3.252 7.227 1.00 0.00 N ATOM 262 CA ASN A 20 5.006 -3.920 8.079 1.00 0.00 C ATOM 263 C ASN A 20 3.720 -4.208 7.311 1.00 0.00 C ATOM 264 O ASN A 20 3.128 -5.278 7.452 1.00 0.00 O ATOM 265 CB ASN A 20 4.698 -3.061 9.308 1.00 0.00 C ATOM 266 CG ASN A 20 3.554 -3.620 10.131 1.00 0.00 C ATOM 267 OD1 ASN A 20 3.081 -4.730 9.885 1.00 0.00 O ATOM 268 ND2 ASN A 20 3.103 -2.851 11.116 1.00 0.00 N ATOM 0 H ASN A 20 5.871 -2.240 7.171 1.00 0.00 H new ATOM 0 HA ASN A 20 5.434 -4.868 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.590 -2.990 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.451 -2.049 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.335 -3.174 11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.525 -1.938 11.284 1.00 0.00 H new ATOM 275 N ILE A 21 3.295 -3.247 6.498 1.00 0.00 N ATOM 276 CA ILE A 21 2.081 -3.399 5.706 1.00 0.00 C ATOM 277 C ILE A 21 2.305 -2.952 4.265 1.00 0.00 C ATOM 278 O ILE A 21 3.368 -2.432 3.923 1.00 0.00 O ATOM 279 CB ILE A 21 0.914 -2.593 6.305 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.289 -1.113 6.413 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.532 -3.148 7.669 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.130 -0.223 6.807 1.00 0.00 C ATOM 0 H ILE A 21 3.773 -2.355 6.371 1.00 0.00 H new ATOM 0 HA ILE A 21 1.826 -4.459 5.720 1.00 0.00 H new ATOM 0 HB ILE A 21 0.053 -2.683 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.088 -1.001 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.686 -0.776 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.294 -2.568 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.228 -4.190 7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.388 -3.085 8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.469 0.811 6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.661 -0.305 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.253 -0.534 7.779 1.00 0.00 H new ATOM 294 N TYR A 22 1.297 -3.157 3.425 1.00 0.00 N ATOM 295 CA TYR A 22 1.384 -2.776 2.020 1.00 0.00 C ATOM 296 C TYR A 22 0.242 -1.838 1.638 1.00 0.00 C ATOM 297 O TYR A 22 -0.917 -2.083 1.975 1.00 0.00 O ATOM 298 CB TYR A 22 1.357 -4.019 1.130 1.00 0.00 C ATOM 299 CG TYR A 22 0.931 -3.737 -0.293 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.412 -3.731 -0.649 1.00 0.00 C ATOM 301 CD2 TYR A 22 1.872 -3.475 -1.282 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.806 -3.474 -1.948 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.487 -3.216 -2.583 1.00 0.00 C ATOM 304 CZ TYR A 22 0.147 -3.216 -2.911 1.00 0.00 C ATOM 305 OH TYR A 22 -0.240 -2.960 -4.206 1.00 0.00 O ATOM 0 H TYR A 22 0.410 -3.585 3.692 1.00 0.00 H new ATOM 0 HA TYR A 22 2.327 -2.251 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.349 -4.470 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.678 -4.752 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.161 -3.931 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.922 -3.474 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.854 -3.475 -2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.231 -3.015 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 22 0.553 -2.797 -4.758 1.00 0.00 H new ATOM 315 N CYS A 23 0.578 -0.764 0.932 1.00 0.00 N ATOM 316 CA CYS A 23 -0.416 0.211 0.503 1.00 0.00 C ATOM 317 C CYS A 23 -1.127 -0.258 -0.764 1.00 0.00 C ATOM 318 O CYS A 23 -0.515 -0.861 -1.646 1.00 0.00 O ATOM 319 CB CYS A 23 0.244 1.569 0.256 1.00 0.00 C ATOM 320 SG CYS A 23 -0.929 2.960 0.161 1.00 0.00 S ATOM 0 H CYS A 23 1.532 -0.547 0.645 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.155 0.312 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.959 1.764 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.811 1.522 -0.674 1.00 0.00 H new ATOM 325 N LEU A 24 -2.423 0.023 -0.847 1.00 0.00 N ATOM 326 CA LEU A 24 -3.218 -0.369 -2.005 1.00 0.00 C ATOM 327 C LEU A 24 -3.389 0.800 -2.970 1.00 0.00 C ATOM 328 O LEU A 24 -2.963 0.734 -4.124 1.00 0.00 O ATOM 329 CB LEU A 24 -4.589 -0.880 -1.557 1.00 0.00 C ATOM 330 CG LEU A 24 -4.605 -2.246 -0.871 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.326 -2.459 -0.077 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.823 -2.375 0.032 1.00 0.00 C ATOM 0 H LEU A 24 -2.945 0.521 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.690 -1.169 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.022 -0.148 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.240 -0.927 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.664 -3.017 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.355 -3.436 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.469 -2.411 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.236 -1.683 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.818 -3.354 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.795 -1.597 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.730 -2.267 -0.563 1.00 0.00 H new ATOM 344 N THR A 25 -4.012 1.871 -2.489 1.00 0.00 N ATOM 345 CA THR A 25 -4.238 3.056 -3.308 1.00 0.00 C ATOM 346 C THR A 25 -3.107 3.255 -4.310 1.00 0.00 C ATOM 347 O THR A 25 -3.271 3.007 -5.505 1.00 0.00 O ATOM 348 CB THR A 25 -4.368 4.322 -2.441 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.543 4.239 -1.626 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.435 5.569 -3.310 1.00 0.00 C ATOM 0 H THR A 25 -4.369 1.942 -1.536 1.00 0.00 H new ATOM 0 HA THR A 25 -5.173 2.895 -3.845 1.00 0.00 H new ATOM 0 HB THR A 25 -3.487 4.390 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.063 5.064 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.527 6.450 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.527 5.645 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.300 5.506 -3.971 1.00 0.00 H new ATOM 358 N CYS A 26 -1.957 3.704 -3.817 1.00 0.00 N ATOM 359 CA CYS A 26 -0.797 3.936 -4.669 1.00 0.00 C ATOM 360 C CYS A 26 -0.170 2.615 -5.106 1.00 0.00 C ATOM 361 O CYS A 26 0.679 2.585 -5.996 1.00 0.00 O ATOM 362 CB CYS A 26 0.240 4.787 -3.934 1.00 0.00 C ATOM 363 SG CYS A 26 0.690 4.153 -2.287 1.00 0.00 S ATOM 0 H CYS A 26 -1.804 3.914 -2.831 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.132 4.471 -5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.140 4.852 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.147 5.801 -3.828 1.00 0.00 H new ATOM 368 N GLU A 27 -0.595 1.526 -4.473 1.00 0.00 N ATOM 369 CA GLU A 27 -0.074 0.203 -4.796 1.00 0.00 C ATOM 370 C GLU A 27 1.428 0.132 -4.539 1.00 0.00 C ATOM 371 O GLU A 27 2.205 -0.222 -5.426 1.00 0.00 O ATOM 372 CB GLU A 27 -0.370 -0.143 -6.257 1.00 0.00 C ATOM 373 CG GLU A 27 -1.655 -0.930 -6.448 1.00 0.00 C ATOM 374 CD GLU A 27 -2.292 -0.689 -7.803 1.00 0.00 C ATOM 375 OE1 GLU A 27 -1.566 -0.748 -8.818 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.515 -0.441 -7.849 1.00 0.00 O ATOM 0 H GLU A 27 -1.298 1.534 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.570 -0.522 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.429 0.779 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.462 -0.719 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.445 -1.994 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.363 -0.658 -5.665 1.00 0.00 H new ATOM 383 N VAL A 28 1.831 0.473 -3.319 1.00 0.00 N ATOM 384 CA VAL A 28 3.239 0.448 -2.944 1.00 0.00 C ATOM 385 C VAL A 28 3.421 -0.087 -1.528 1.00 0.00 C ATOM 386 O VAL A 28 2.795 0.380 -0.576 1.00 0.00 O ATOM 387 CB VAL A 28 3.870 1.850 -3.037 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.302 2.613 -4.223 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.651 2.619 -1.743 1.00 0.00 C ATOM 0 H VAL A 28 1.201 0.770 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 28 3.742 -0.216 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 28 4.944 1.737 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.759 3.601 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.515 2.068 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.223 2.718 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.103 3.607 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.582 2.723 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.111 2.078 -0.916 1.00 0.00 H new ATOM 399 N PRO A 29 4.300 -1.090 -1.382 1.00 0.00 N ATOM 400 CA PRO A 29 4.586 -1.710 -0.085 1.00 0.00 C ATOM 401 C PRO A 29 5.350 -0.775 0.848 1.00 0.00 C ATOM 402 O PRO A 29 6.580 -0.728 0.826 1.00 0.00 O ATOM 403 CB PRO A 29 5.449 -2.920 -0.453 1.00 0.00 C ATOM 404 CG PRO A 29 6.084 -2.553 -1.749 1.00 0.00 C ATOM 405 CD PRO A 29 5.082 -1.696 -2.473 1.00 0.00 C ATOM 0 HA PRO A 29 3.674 -1.967 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.199 -3.119 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.845 -3.822 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.016 -2.012 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.329 -3.443 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.570 -0.939 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.453 -2.288 -3.138 1.00 0.00 H new ATOM 413 N THR A 30 4.612 -0.033 1.668 1.00 0.00 N ATOM 414 CA THR A 30 5.219 0.901 2.608 1.00 0.00 C ATOM 415 C THR A 30 4.873 0.535 4.047 1.00 0.00 C ATOM 416 O THR A 30 3.856 -0.108 4.307 1.00 0.00 O ATOM 417 CB THR A 30 4.767 2.347 2.334 1.00 0.00 C ATOM 418 OG1 THR A 30 5.323 3.228 3.317 1.00 0.00 O ATOM 419 CG2 THR A 30 3.249 2.452 2.352 1.00 0.00 C ATOM 0 H THR A 30 3.593 -0.061 1.700 1.00 0.00 H new ATOM 0 HA THR A 30 6.298 0.834 2.469 1.00 0.00 H new ATOM 0 HB THR A 30 5.123 2.635 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.300 3.152 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.953 3.483 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.830 1.802 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.875 2.147 3.329 1.00 0.00 H new ATOM 427 N CYS A 31 5.724 0.950 4.979 1.00 0.00 N ATOM 428 CA CYS A 31 5.509 0.667 6.392 1.00 0.00 C ATOM 429 C CYS A 31 4.138 1.164 6.844 1.00 0.00 C ATOM 430 O CYS A 31 3.337 1.628 6.033 1.00 0.00 O ATOM 431 CB CYS A 31 6.604 1.320 7.238 1.00 0.00 C ATOM 432 SG CYS A 31 6.402 3.118 7.455 1.00 0.00 S ATOM 0 H CYS A 31 6.570 1.484 4.780 1.00 0.00 H new ATOM 0 HA CYS A 31 5.549 -0.414 6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.622 0.846 8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.571 1.127 6.773 1.00 0.00 H new ATOM 437 N SER A 32 3.877 1.063 8.143 1.00 0.00 N ATOM 438 CA SER A 32 2.602 1.498 8.703 1.00 0.00 C ATOM 439 C SER A 32 2.734 2.874 9.348 1.00 0.00 C ATOM 440 O SER A 32 1.812 3.687 9.295 1.00 0.00 O ATOM 441 CB SER A 32 2.101 0.485 9.733 1.00 0.00 C ATOM 442 OG SER A 32 0.710 0.632 9.958 1.00 0.00 O ATOM 0 H SER A 32 4.531 0.684 8.828 1.00 0.00 H new ATOM 0 HA SER A 32 1.880 1.565 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.311 -0.526 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.640 0.618 10.671 1.00 0.00 H new ATOM 0 HG SER A 32 0.414 -0.028 10.619 1.00 0.00 H new ATOM 448 N MET A 33 3.888 3.127 9.957 1.00 0.00 N ATOM 449 CA MET A 33 4.142 4.405 10.612 1.00 0.00 C ATOM 450 C MET A 33 3.837 5.567 9.672 1.00 0.00 C ATOM 451 O MET A 33 3.425 6.642 10.111 1.00 0.00 O ATOM 452 CB MET A 33 5.596 4.482 11.082 1.00 0.00 C ATOM 453 CG MET A 33 6.034 3.277 11.899 1.00 0.00 C ATOM 454 SD MET A 33 4.907 2.912 13.258 1.00 0.00 S ATOM 455 CE MET A 33 3.836 1.698 12.492 1.00 0.00 C ATOM 0 H MET A 33 4.662 2.464 10.011 1.00 0.00 H new ATOM 0 HA MET A 33 3.484 4.478 11.478 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.246 4.577 10.212 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.729 5.384 11.679 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.104 2.407 11.247 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.032 3.457 12.298 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.538 0.956 13.233 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.949 2.193 12.097 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.368 1.205 11.679 1.00 0.00 H new ATOM 465 N CYS A 34 4.043 5.346 8.378 1.00 0.00 N ATOM 466 CA CYS A 34 3.791 6.375 7.377 1.00 0.00 C ATOM 467 C CYS A 34 2.294 6.539 7.130 1.00 0.00 C ATOM 468 O CYS A 34 1.795 7.657 6.993 1.00 0.00 O ATOM 469 CB CYS A 34 4.499 6.024 6.066 1.00 0.00 C ATOM 470 SG CYS A 34 6.294 6.336 6.085 1.00 0.00 S ATOM 0 H CYS A 34 4.384 4.463 7.998 1.00 0.00 H new ATOM 0 HA CYS A 34 4.185 7.319 7.755 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.326 4.971 5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.049 6.600 5.257 1.00 0.00 H new ATOM 475 N LYS A 35 1.582 5.419 7.076 1.00 0.00 N ATOM 476 CA LYS A 35 0.142 5.436 6.848 1.00 0.00 C ATOM 477 C LYS A 35 -0.578 6.168 7.976 1.00 0.00 C ATOM 478 O LYS A 35 -1.429 7.023 7.731 1.00 0.00 O ATOM 479 CB LYS A 35 -0.394 4.008 6.727 1.00 0.00 C ATOM 480 CG LYS A 35 -1.910 3.925 6.728 1.00 0.00 C ATOM 481 CD LYS A 35 -2.461 3.788 8.138 1.00 0.00 C ATOM 482 CE LYS A 35 -3.905 3.313 8.128 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.509 3.346 9.489 1.00 0.00 N ATOM 0 H LYS A 35 1.979 4.486 7.187 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.047 5.967 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.015 3.563 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.005 3.412 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.324 4.818 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.229 3.073 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.849 3.084 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.396 4.748 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.489 3.941 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.951 2.297 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.494 3.015 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.967 2.727 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.489 4.320 9.854 1.00 0.00 H new ATOM 497 N VAL A 36 -0.231 5.826 9.213 1.00 0.00 N ATOM 498 CA VAL A 36 -0.843 6.453 10.379 1.00 0.00 C ATOM 499 C VAL A 36 -0.206 7.806 10.673 1.00 0.00 C ATOM 500 O VAL A 36 -0.876 8.733 11.131 1.00 0.00 O ATOM 501 CB VAL A 36 -0.719 5.557 11.626 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.467 4.249 11.421 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.744 5.300 11.954 1.00 0.00 C ATOM 0 H VAL A 36 0.470 5.119 9.433 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.898 6.595 10.146 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.171 6.076 12.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.368 3.630 12.312 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.521 4.457 11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.049 3.721 10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.813 4.665 12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.224 4.802 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.245 6.248 12.148 1.00 0.00 H new ATOM 513 N PHE A 37 1.091 7.914 10.406 1.00 0.00 N ATOM 514 CA PHE A 37 1.819 9.156 10.643 1.00 0.00 C ATOM 515 C PHE A 37 2.719 9.493 9.457 1.00 0.00 C ATOM 516 O PHE A 37 3.941 9.550 9.587 1.00 0.00 O ATOM 517 CB PHE A 37 2.657 9.045 11.918 1.00 0.00 C ATOM 518 CG PHE A 37 1.960 8.318 13.032 1.00 0.00 C ATOM 519 CD1 PHE A 37 0.766 8.795 13.548 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.499 7.157 13.564 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.123 8.129 14.574 1.00 0.00 C ATOM 522 CE2 PHE A 37 1.860 6.486 14.590 1.00 0.00 C ATOM 523 CZ PHE A 37 0.670 6.972 15.095 1.00 0.00 C ATOM 0 H PHE A 37 1.660 7.157 10.026 1.00 0.00 H new ATOM 0 HA PHE A 37 1.091 9.958 10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.590 8.530 11.687 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.921 10.046 12.258 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.333 9.698 13.144 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.429 6.772 13.172 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.806 8.513 14.968 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.291 5.583 14.996 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.168 6.449 15.895 1.00 0.00 H new ATOM 533 N GLY A 38 2.103 9.715 8.300 1.00 0.00 N ATOM 534 CA GLY A 38 2.863 10.043 7.107 1.00 0.00 C ATOM 535 C GLY A 38 1.991 10.601 6.000 1.00 0.00 C ATOM 536 O GLY A 38 0.855 11.010 6.242 1.00 0.00 O ATOM 0 H GLY A 38 1.093 9.674 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.634 10.771 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.373 9.149 6.748 1.00 0.00 H new ATOM 540 N ILE A 39 2.523 10.619 4.782 1.00 0.00 N ATOM 541 CA ILE A 39 1.785 11.132 3.635 1.00 0.00 C ATOM 542 C ILE A 39 0.874 10.062 3.044 1.00 0.00 C ATOM 543 O ILE A 39 0.302 10.242 1.968 1.00 0.00 O ATOM 544 CB ILE A 39 2.736 11.643 2.537 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.658 10.517 2.065 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.551 12.822 3.048 1.00 0.00 C ATOM 547 CD1 ILE A 39 3.124 9.761 0.868 1.00 0.00 C ATOM 0 H ILE A 39 3.462 10.284 4.565 1.00 0.00 H new ATOM 0 HA ILE A 39 1.179 11.963 3.996 1.00 0.00 H new ATOM 0 HB ILE A 39 2.139 11.979 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.632 10.937 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.814 9.818 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.218 13.172 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.879 13.629 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.140 12.511 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.829 8.978 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.164 9.312 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.994 10.448 0.032 1.00 0.00 H new ATOM 559 N HIS A 40 0.741 8.947 3.755 1.00 0.00 N ATOM 560 CA HIS A 40 -0.103 7.847 3.303 1.00 0.00 C ATOM 561 C HIS A 40 -1.380 7.765 4.134 1.00 0.00 C ATOM 562 O HIS A 40 -1.702 6.718 4.696 1.00 0.00 O ATOM 563 CB HIS A 40 0.658 6.524 3.385 1.00 0.00 C ATOM 564 CG HIS A 40 1.727 6.383 2.346 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.466 6.012 1.043 1.00 0.00 N ATOM 566 CD2 HIS A 40 3.066 6.567 2.422 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.599 5.972 0.364 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.585 6.305 1.177 1.00 0.00 N ATOM 0 H HIS A 40 1.207 8.781 4.647 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.377 8.036 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.109 6.434 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.049 5.701 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.623 6.864 3.298 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.701 5.711 -0.679 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.571 6.359 0.922 1.00 0.00 H new ATOM 576 N LYS A 41 -2.104 8.877 4.209 1.00 0.00 N ATOM 577 CA LYS A 41 -3.346 8.932 4.971 1.00 0.00 C ATOM 578 C LYS A 41 -4.547 8.642 4.076 1.00 0.00 C ATOM 579 O LYS A 41 -5.445 7.889 4.451 1.00 0.00 O ATOM 580 CB LYS A 41 -3.505 10.305 5.628 1.00 0.00 C ATOM 581 CG LYS A 41 -2.584 10.521 6.816 1.00 0.00 C ATOM 582 CD LYS A 41 -2.585 11.972 7.266 1.00 0.00 C ATOM 583 CE LYS A 41 -1.534 12.785 6.526 1.00 0.00 C ATOM 584 NZ LYS A 41 -1.809 14.247 6.602 1.00 0.00 N ATOM 0 H LYS A 41 -1.852 9.753 3.751 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.301 8.168 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.313 11.079 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.538 10.425 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.898 9.883 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.570 10.222 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.570 12.407 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.397 12.022 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.551 12.578 6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.504 12.475 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.071 14.766 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.736 14.448 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.813 14.548 7.597 1.00 0.00 H new ATOM 598 N ALA A 42 -4.555 9.245 2.891 1.00 0.00 N ATOM 599 CA ALA A 42 -5.643 9.049 1.942 1.00 0.00 C ATOM 600 C ALA A 42 -5.441 7.773 1.131 1.00 0.00 C ATOM 601 O ALA A 42 -5.827 7.700 -0.036 1.00 0.00 O ATOM 602 CB ALA A 42 -5.760 10.252 1.017 1.00 0.00 C ATOM 0 H ALA A 42 -3.820 9.873 2.566 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.570 8.947 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.577 10.092 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.960 11.147 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.828 10.380 0.467 1.00 0.00 H new ATOM 608 N CYS A 43 -4.834 6.770 1.756 1.00 0.00 N ATOM 609 CA CYS A 43 -4.580 5.497 1.093 1.00 0.00 C ATOM 610 C CYS A 43 -5.241 4.348 1.849 1.00 0.00 C ATOM 611 O CYS A 43 -5.947 4.565 2.833 1.00 0.00 O ATOM 612 CB CYS A 43 -3.074 5.249 0.980 1.00 0.00 C ATOM 613 SG CYS A 43 -2.268 6.168 -0.370 1.00 0.00 S ATOM 0 H CYS A 43 -4.509 6.814 2.722 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.010 5.545 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.600 5.521 1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.902 4.183 0.832 1.00 0.00 H new ATOM 618 N GLU A 44 -5.006 3.126 1.381 1.00 0.00 N ATOM 619 CA GLU A 44 -5.579 1.944 2.012 1.00 0.00 C ATOM 620 C GLU A 44 -4.541 0.831 2.126 1.00 0.00 C ATOM 621 O GLU A 44 -4.258 0.128 1.155 1.00 0.00 O ATOM 622 CB GLU A 44 -6.788 1.448 1.217 1.00 0.00 C ATOM 623 CG GLU A 44 -8.075 2.187 1.543 1.00 0.00 C ATOM 624 CD GLU A 44 -9.306 1.318 1.374 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.230 0.324 0.621 1.00 0.00 O ATOM 626 OE2 GLU A 44 -10.344 1.631 1.993 1.00 0.00 O ATOM 0 H GLU A 44 -4.423 2.929 0.567 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.902 2.221 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.579 1.551 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.930 0.385 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.030 2.551 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.161 3.061 0.898 1.00 0.00 H new ATOM 633 N VAL A 45 -3.976 0.676 3.319 1.00 0.00 N ATOM 634 CA VAL A 45 -2.969 -0.351 3.562 1.00 0.00 C ATOM 635 C VAL A 45 -3.609 -1.636 4.074 1.00 0.00 C ATOM 636 O VAL A 45 -4.628 -1.603 4.763 1.00 0.00 O ATOM 637 CB VAL A 45 -1.915 0.126 4.578 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.164 1.335 4.042 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.569 0.444 5.914 1.00 0.00 C ATOM 0 H VAL A 45 -4.198 1.249 4.133 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.479 -0.547 2.608 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.196 -0.678 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.424 1.657 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.662 1.069 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.867 2.147 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.810 0.780 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.311 1.231 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.056 -0.450 6.303 1.00 0.00 H new ATOM 649 N ALA A 46 -3.003 -2.769 3.732 1.00 0.00 N ATOM 650 CA ALA A 46 -3.512 -4.066 4.159 1.00 0.00 C ATOM 651 C ALA A 46 -2.540 -4.749 5.116 1.00 0.00 C ATOM 652 O ALA A 46 -1.398 -4.322 5.288 1.00 0.00 O ATOM 653 CB ALA A 46 -3.777 -4.953 2.952 1.00 0.00 C ATOM 0 H ALA A 46 -2.159 -2.814 3.161 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.450 -3.903 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.157 -5.918 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.514 -4.477 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.850 -5.100 2.398 1.00 0.00 H new ATOM 659 N PRO A 47 -3.000 -5.835 5.753 1.00 0.00 N ATOM 660 CA PRO A 47 -2.187 -6.600 6.703 1.00 0.00 C ATOM 661 C PRO A 47 -1.057 -7.361 6.018 1.00 0.00 C ATOM 662 O PRO A 47 -0.474 -8.280 6.595 1.00 0.00 O ATOM 663 CB PRO A 47 -3.190 -7.576 7.323 1.00 0.00 C ATOM 664 CG PRO A 47 -4.256 -7.729 6.294 1.00 0.00 C ATOM 665 CD PRO A 47 -4.351 -6.401 5.595 1.00 0.00 C ATOM 0 HA PRO A 47 -1.695 -5.954 7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.721 -8.533 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.595 -7.187 8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.008 -8.523 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.207 -7.997 6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.617 -6.518 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.110 -5.762 6.047 1.00 0.00 H new ATOM 673 N LEU A 48 -0.753 -6.974 4.784 1.00 0.00 N ATOM 674 CA LEU A 48 0.309 -7.620 4.020 1.00 0.00 C ATOM 675 C LEU A 48 0.268 -9.133 4.203 1.00 0.00 C ATOM 676 O LEU A 48 1.262 -9.748 4.589 1.00 0.00 O ATOM 677 CB LEU A 48 1.674 -7.079 4.449 1.00 0.00 C ATOM 678 CG LEU A 48 2.855 -7.452 3.552 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.632 -6.945 2.136 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.153 -6.897 4.121 1.00 0.00 C ATOM 0 H LEU A 48 -1.226 -6.217 4.291 1.00 0.00 H new ATOM 0 HA LEU A 48 0.152 -7.396 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.612 -5.992 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.883 -7.435 5.458 1.00 0.00 H new ATOM 0 HG LEU A 48 2.931 -8.539 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.483 -7.220 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.725 -7.391 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.528 -5.860 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.983 -7.172 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.087 -5.811 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.320 -7.310 5.116 1.00 0.00 H new ATOM 692 N GLN A 49 -0.887 -9.727 3.921 1.00 0.00 N ATOM 693 CA GLN A 49 -1.056 -11.170 4.054 1.00 0.00 C ATOM 694 C GLN A 49 -1.897 -11.726 2.910 1.00 0.00 C ATOM 695 O GLN A 49 -3.089 -11.436 2.804 1.00 0.00 O ATOM 696 CB GLN A 49 -1.710 -11.507 5.395 1.00 0.00 C ATOM 697 CG GLN A 49 -1.465 -12.937 5.849 1.00 0.00 C ATOM 698 CD GLN A 49 -1.557 -13.095 7.354 1.00 0.00 C ATOM 699 OE1 GLN A 49 -2.330 -12.403 8.016 1.00 0.00 O ATOM 700 NE2 GLN A 49 -0.767 -14.010 7.902 1.00 0.00 N ATOM 0 H GLN A 49 -1.719 -9.232 3.599 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.069 -11.632 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.333 -10.823 6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.784 -11.338 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.192 -13.595 5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.478 -13.257 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.141 -14.561 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.786 -14.162 8.910 1.00 0.00 H new ATOM 709 N SER A 50 -1.269 -12.528 2.055 1.00 0.00 N ATOM 710 CA SER A 50 -1.959 -13.122 0.916 1.00 0.00 C ATOM 711 C SER A 50 -3.063 -12.200 0.409 1.00 0.00 C ATOM 712 O SER A 50 -4.192 -12.633 0.178 1.00 0.00 O ATOM 713 CB SER A 50 -2.549 -14.479 1.303 1.00 0.00 C ATOM 714 OG SER A 50 -1.530 -15.394 1.666 1.00 0.00 O ATOM 0 H SER A 50 -0.284 -12.781 2.130 1.00 0.00 H new ATOM 0 HA SER A 50 -1.233 -13.264 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.242 -14.354 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.122 -14.881 0.468 1.00 0.00 H new ATOM 0 HG SER A 50 -1.934 -16.253 1.911 1.00 0.00 H new ATOM 720 N VAL A 51 -2.728 -10.925 0.237 1.00 0.00 N ATOM 721 CA VAL A 51 -3.690 -9.940 -0.245 1.00 0.00 C ATOM 722 C VAL A 51 -4.026 -10.173 -1.713 1.00 0.00 C ATOM 723 O VAL A 51 -3.438 -9.556 -2.602 1.00 0.00 O ATOM 724 CB VAL A 51 -3.158 -8.505 -0.073 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.096 -8.132 1.401 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.791 -8.363 -0.725 1.00 0.00 C ATOM 0 H VAL A 51 -1.798 -10.550 0.424 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.592 -10.059 0.355 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.845 -7.819 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.718 -7.115 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.094 -8.193 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.431 -8.820 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.430 -7.343 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.092 -9.058 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.870 -8.586 -1.789 1.00 0.00 H new ATOM 736 N PHE A 52 -4.977 -11.068 -1.962 1.00 0.00 N ATOM 737 CA PHE A 52 -5.392 -11.383 -3.324 1.00 0.00 C ATOM 738 C PHE A 52 -6.300 -10.291 -3.883 1.00 0.00 C ATOM 739 O PHE A 52 -6.046 -9.750 -4.958 1.00 0.00 O ATOM 740 CB PHE A 52 -6.116 -12.731 -3.360 1.00 0.00 C ATOM 741 CG PHE A 52 -6.776 -13.022 -4.677 1.00 0.00 C ATOM 742 CD1 PHE A 52 -6.043 -13.532 -5.737 1.00 0.00 C ATOM 743 CD2 PHE A 52 -8.130 -12.786 -4.856 1.00 0.00 C ATOM 744 CE1 PHE A 52 -6.648 -13.801 -6.951 1.00 0.00 C ATOM 745 CE2 PHE A 52 -8.740 -13.053 -6.067 1.00 0.00 C ATOM 746 CZ PHE A 52 -7.998 -13.560 -7.116 1.00 0.00 C ATOM 0 H PHE A 52 -5.474 -11.587 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.498 -11.441 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.402 -13.524 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.870 -12.751 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.987 -13.722 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.715 -12.389 -4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.066 -14.199 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.796 -12.865 -6.193 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.473 -13.768 -8.064 1.00 0.00 H new ATOM 756 N GLN A 53 -7.358 -9.975 -3.144 1.00 0.00 N ATOM 757 CA GLN A 53 -8.304 -8.949 -3.566 1.00 0.00 C ATOM 758 C GLN A 53 -8.214 -7.721 -2.665 1.00 0.00 C ATOM 759 O GLN A 53 -9.228 -7.117 -2.318 1.00 0.00 O ATOM 760 CB GLN A 53 -9.730 -9.503 -3.552 1.00 0.00 C ATOM 761 CG GLN A 53 -10.712 -8.676 -4.367 1.00 0.00 C ATOM 762 CD GLN A 53 -10.331 -8.595 -5.832 1.00 0.00 C ATOM 763 OE1 GLN A 53 -9.530 -7.749 -6.230 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.905 -9.476 -6.643 1.00 0.00 N ATOM 0 H GLN A 53 -7.582 -10.414 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.048 -8.651 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.719 -10.522 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.080 -9.556 -2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.708 -9.110 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.765 -7.669 -3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.563 -10.160 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.688 -9.469 -7.640 1.00 0.00 H new ATOM 773 N GLY A 54 -6.992 -7.358 -2.289 1.00 0.00 N ATOM 774 CA GLY A 54 -6.792 -6.205 -1.431 1.00 0.00 C ATOM 775 C GLY A 54 -7.874 -6.070 -0.378 1.00 0.00 C ATOM 776 O GLY A 54 -8.809 -5.287 -0.538 1.00 0.00 O ATOM 0 H GLY A 54 -6.137 -7.842 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.821 -6.284 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.769 -5.302 -2.041 1.00 0.00 H new ATOM 780 N GLN A 55 -7.747 -6.838 0.699 1.00 0.00 N ATOM 781 CA GLN A 55 -8.725 -6.802 1.781 1.00 0.00 C ATOM 782 C GLN A 55 -8.865 -5.391 2.342 1.00 0.00 C ATOM 783 O GLN A 55 -7.924 -4.598 2.300 1.00 0.00 O ATOM 784 CB GLN A 55 -8.319 -7.769 2.895 1.00 0.00 C ATOM 785 CG GLN A 55 -8.226 -9.217 2.441 1.00 0.00 C ATOM 786 CD GLN A 55 -9.462 -9.674 1.691 1.00 0.00 C ATOM 787 OE1 GLN A 55 -9.502 -9.644 0.460 1.00 0.00 O ATOM 788 NE2 GLN A 55 -10.479 -10.101 2.430 1.00 0.00 N ATOM 0 H GLN A 55 -6.978 -7.492 0.846 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.689 -7.109 1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.354 -7.461 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.042 -7.698 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.352 -9.338 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.076 -9.857 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.402 -10.109 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.337 -10.421 1.981 1.00 0.00 H new ATOM 797 N LYS A 56 -10.046 -5.083 2.866 1.00 0.00 N ATOM 798 CA LYS A 56 -10.310 -3.767 3.437 1.00 0.00 C ATOM 799 C LYS A 56 -10.078 -3.772 4.945 1.00 0.00 C ATOM 800 O LYS A 56 -10.452 -4.717 5.639 1.00 0.00 O ATOM 801 CB LYS A 56 -11.747 -3.336 3.133 1.00 0.00 C ATOM 802 CG LYS A 56 -11.943 -1.830 3.135 1.00 0.00 C ATOM 803 CD LYS A 56 -13.408 -1.459 2.973 1.00 0.00 C ATOM 804 CE LYS A 56 -13.658 -0.005 3.345 1.00 0.00 C ATOM 805 NZ LYS A 56 -13.598 0.208 4.818 1.00 0.00 N ATOM 0 H LYS A 56 -10.836 -5.727 2.907 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.620 -3.056 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.038 -3.731 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.415 -3.782 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.562 -1.414 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.362 -1.385 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.716 -1.630 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.020 -2.107 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.917 0.628 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.635 0.302 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.985 1.145 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.158 -0.526 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.610 0.153 5.137 1.00 0.00 H new ATOM 819 N THR A 57 -9.459 -2.707 5.446 1.00 0.00 N ATOM 820 CA THR A 57 -9.177 -2.588 6.871 1.00 0.00 C ATOM 821 C THR A 57 -10.425 -2.863 7.703 1.00 0.00 C ATOM 822 O THR A 57 -11.487 -2.298 7.450 1.00 0.00 O ATOM 823 CB THR A 57 -8.638 -1.189 7.222 1.00 0.00 C ATOM 824 OG1 THR A 57 -9.518 -0.182 6.710 1.00 0.00 O ATOM 825 CG2 THR A 57 -7.243 -0.987 6.651 1.00 0.00 C ATOM 0 H THR A 57 -9.144 -1.915 4.886 1.00 0.00 H new ATOM 0 HA THR A 57 -8.416 -3.332 7.106 1.00 0.00 H new ATOM 0 HB THR A 57 -8.585 -1.107 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.435 -0.528 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.884 0.008 6.912 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.568 -1.736 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.276 -1.088 5.566 1.00 0.00 H new ATOM 833 N GLU A 58 -10.287 -3.735 8.698 1.00 0.00 N ATOM 834 CA GLU A 58 -11.404 -4.084 9.567 1.00 0.00 C ATOM 835 C GLU A 58 -11.354 -3.284 10.866 1.00 0.00 C ATOM 836 O GLU A 58 -10.875 -3.772 11.889 1.00 0.00 O ATOM 837 CB GLU A 58 -11.390 -5.582 9.877 1.00 0.00 C ATOM 838 CG GLU A 58 -12.768 -6.160 10.152 1.00 0.00 C ATOM 839 CD GLU A 58 -12.774 -7.677 10.153 1.00 0.00 C ATOM 840 OE1 GLU A 58 -11.699 -8.274 10.369 1.00 0.00 O ATOM 841 OE2 GLU A 58 -13.854 -8.266 9.938 1.00 0.00 O ATOM 0 H GLU A 58 -9.413 -4.212 8.921 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.328 -3.837 9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.943 -6.114 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.752 -5.759 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.124 -5.798 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.467 -5.798 9.398 1.00 0.00 H new ATOM 848 N SER A 59 -11.851 -2.053 10.815 1.00 0.00 N ATOM 849 CA SER A 59 -11.859 -1.183 11.986 1.00 0.00 C ATOM 850 C SER A 59 -12.945 -0.118 11.864 1.00 0.00 C ATOM 851 O SER A 59 -13.437 0.160 10.771 1.00 0.00 O ATOM 852 CB SER A 59 -10.493 -0.517 12.162 1.00 0.00 C ATOM 853 OG SER A 59 -10.276 -0.149 13.513 1.00 0.00 O ATOM 0 H SER A 59 -12.253 -1.635 9.976 1.00 0.00 H new ATOM 0 HA SER A 59 -12.072 -1.796 12.862 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.708 -1.199 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.431 0.366 11.527 1.00 0.00 H new ATOM 0 HG SER A 59 -9.396 0.273 13.600 1.00 0.00 H new ATOM 859 N GLY A 60 -13.314 0.474 12.996 1.00 0.00 N ATOM 860 CA GLY A 60 -14.339 1.502 12.995 1.00 0.00 C ATOM 861 C GLY A 60 -15.494 1.168 12.072 1.00 0.00 C ATOM 862 O GLY A 60 -15.715 0.012 11.712 1.00 0.00 O ATOM 0 H GLY A 60 -12.922 0.260 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.715 1.636 14.009 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.897 2.451 12.691 1.00 0.00 H new ATOM 866 N PRO A 61 -16.255 2.198 11.674 1.00 0.00 N ATOM 867 CA PRO A 61 -17.407 2.034 10.782 1.00 0.00 C ATOM 868 C PRO A 61 -16.993 1.664 9.362 1.00 0.00 C ATOM 869 O PRO A 61 -15.816 1.423 9.091 1.00 0.00 O ATOM 870 CB PRO A 61 -18.072 3.412 10.804 1.00 0.00 C ATOM 871 CG PRO A 61 -16.973 4.358 11.147 1.00 0.00 C ATOM 872 CD PRO A 61 -16.049 3.604 12.063 1.00 0.00 C ATOM 0 HA PRO A 61 -18.061 1.225 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -18.515 3.653 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -18.874 3.453 11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.449 4.689 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.364 5.250 11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -15.012 3.910 11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.297 3.771 13.111 1.00 0.00 H new ATOM 880 N SER A 62 -17.967 1.621 8.459 1.00 0.00 N ATOM 881 CA SER A 62 -17.703 1.277 7.066 1.00 0.00 C ATOM 882 C SER A 62 -18.028 2.450 6.146 1.00 0.00 C ATOM 883 O SER A 62 -18.616 2.273 5.079 1.00 0.00 O ATOM 884 CB SER A 62 -18.523 0.052 6.657 1.00 0.00 C ATOM 885 OG SER A 62 -17.946 -1.139 7.163 1.00 0.00 O ATOM 0 H SER A 62 -18.946 1.820 8.666 1.00 0.00 H new ATOM 0 HA SER A 62 -16.642 1.045 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.543 0.152 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.584 -0.003 5.570 1.00 0.00 H new ATOM 0 HG SER A 62 -18.489 -1.907 6.890 1.00 0.00 H new ATOM 891 N SER A 63 -17.641 3.650 6.568 1.00 0.00 N ATOM 892 CA SER A 63 -17.894 4.854 5.785 1.00 0.00 C ATOM 893 C SER A 63 -16.860 5.006 4.674 1.00 0.00 C ATOM 894 O SER A 63 -15.820 5.637 4.860 1.00 0.00 O ATOM 895 CB SER A 63 -17.874 6.089 6.688 1.00 0.00 C ATOM 896 OG SER A 63 -18.204 7.258 5.960 1.00 0.00 O ATOM 0 H SER A 63 -17.151 3.814 7.448 1.00 0.00 H new ATOM 0 HA SER A 63 -18.880 4.761 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.580 5.956 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.886 6.201 7.134 1.00 0.00 H new ATOM 0 HG SER A 63 -18.186 8.033 6.560 1.00 0.00 H new ATOM 902 N GLY A 64 -17.154 4.422 3.516 1.00 0.00 N ATOM 903 CA GLY A 64 -16.241 4.504 2.391 1.00 0.00 C ATOM 904 C GLY A 64 -16.923 4.981 1.124 1.00 0.00 C ATOM 905 O GLY A 64 -17.620 4.194 0.486 1.00 0.00 O ATOM 0 H GLY A 64 -18.008 3.894 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.425 5.183 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.798 3.524 2.214 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.689 4.499 6.151 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.157 5.056 -0.399 1.00 0.00 ZN