USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 32 LYS NZ :NH3+ -161:sc= -2.31! (180deg=-1.98) USER MOD Set 1.2: A 64 ASN : amide:sc= -1.1! C(o=-3.4!,f=-17!) 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 180:sc= 0 USER MOD Single : A 9 SER OG : rot 41:sc= 1.23 USER MOD Single : A 23 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.8!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 27 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.55) USER MOD Single : A 31 THR OG1 : rot 151:sc= 0.836 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 59 THR OG1 : rot -58:sc= 0.148 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.114 (180deg=-0.559) USER MOD Single : A 70 MET CE :methyl 135:sc= -5.91! (180deg=-9.55!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.47) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.105 (180deg=-0.05) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.965 -44.162 21.556 1.00 0.00 N ATOM 2 CA GLY A 1 -9.389 -43.854 20.203 1.00 0.00 C ATOM 3 C GLY A 1 -8.949 -42.473 19.758 1.00 0.00 C ATOM 4 O GLY A 1 -9.611 -41.478 20.053 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.290 -45.116 21.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.927 -44.123 21.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.374 -43.468 22.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.982 -44.599 19.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.475 -43.924 20.141 1.00 0.00 H new ATOM 8 N SER A 2 -7.828 -42.412 19.047 1.00 0.00 N ATOM 9 CA SER A 2 -7.297 -41.142 18.565 1.00 0.00 C ATOM 10 C SER A 2 -8.029 -40.690 17.306 1.00 0.00 C ATOM 11 O SER A 2 -8.370 -41.503 16.446 1.00 0.00 O ATOM 12 CB SER A 2 -5.799 -41.267 18.280 1.00 0.00 C ATOM 13 OG SER A 2 -5.542 -42.294 17.338 1.00 0.00 O ATOM 0 H SER A 2 -7.270 -43.227 18.792 1.00 0.00 H new ATOM 0 HA SER A 2 -7.451 -40.394 19.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.417 -40.319 17.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.266 -41.478 19.207 1.00 0.00 H new ATOM 0 HG SER A 2 -4.578 -42.352 17.172 1.00 0.00 H new ATOM 19 N SER A 3 -8.269 -39.386 17.204 1.00 0.00 N ATOM 20 CA SER A 3 -8.965 -38.825 16.052 1.00 0.00 C ATOM 21 C SER A 3 -8.125 -37.739 15.386 1.00 0.00 C ATOM 22 O SER A 3 -7.574 -36.866 16.056 1.00 0.00 O ATOM 23 CB SER A 3 -10.317 -38.250 16.477 1.00 0.00 C ATOM 24 OG SER A 3 -10.151 -37.102 17.291 1.00 0.00 O ATOM 0 H SER A 3 -7.992 -38.699 17.905 1.00 0.00 H new ATOM 0 HA SER A 3 -9.129 -39.627 15.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.900 -37.991 15.593 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.882 -39.007 17.021 1.00 0.00 H new ATOM 0 HG SER A 3 -11.030 -36.753 17.548 1.00 0.00 H new ATOM 30 N GLY A 4 -8.031 -37.801 14.061 1.00 0.00 N ATOM 31 CA GLY A 4 -7.257 -36.818 13.326 1.00 0.00 C ATOM 32 C GLY A 4 -7.702 -35.398 13.611 1.00 0.00 C ATOM 33 O GLY A 4 -8.497 -35.160 14.520 1.00 0.00 O ATOM 0 H GLY A 4 -8.477 -38.514 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.203 -36.924 13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.345 -37.016 12.258 1.00 0.00 H new ATOM 37 N SER A 5 -7.187 -34.451 12.833 1.00 0.00 N ATOM 38 CA SER A 5 -7.532 -33.045 13.010 1.00 0.00 C ATOM 39 C SER A 5 -7.209 -32.244 11.752 1.00 0.00 C ATOM 40 O SER A 5 -6.288 -32.580 11.008 1.00 0.00 O ATOM 41 CB SER A 5 -6.781 -32.460 14.208 1.00 0.00 C ATOM 42 OG SER A 5 -5.382 -32.468 13.986 1.00 0.00 O ATOM 0 H SER A 5 -6.530 -34.632 12.074 1.00 0.00 H new ATOM 0 HA SER A 5 -8.604 -32.980 13.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.118 -31.439 14.389 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.014 -33.036 15.104 1.00 0.00 H new ATOM 0 HG SER A 5 -4.925 -32.088 14.765 1.00 0.00 H new ATOM 48 N SER A 6 -7.974 -31.181 11.522 1.00 0.00 N ATOM 49 CA SER A 6 -7.773 -30.333 10.353 1.00 0.00 C ATOM 50 C SER A 6 -7.308 -28.940 10.767 1.00 0.00 C ATOM 51 O SER A 6 -8.121 -28.053 11.024 1.00 0.00 O ATOM 52 CB SER A 6 -9.066 -30.232 9.542 1.00 0.00 C ATOM 53 OG SER A 6 -9.459 -31.501 9.048 1.00 0.00 O ATOM 0 H SER A 6 -8.738 -30.887 12.130 1.00 0.00 H new ATOM 0 HA SER A 6 -6.999 -30.786 9.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.859 -29.820 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.924 -29.542 8.710 1.00 0.00 H new ATOM 0 HG SER A 6 -10.289 -31.410 8.535 1.00 0.00 H new ATOM 59 N GLY A 7 -5.993 -28.755 10.828 1.00 0.00 N ATOM 60 CA GLY A 7 -5.441 -27.469 11.210 1.00 0.00 C ATOM 61 C GLY A 7 -5.896 -26.348 10.296 1.00 0.00 C ATOM 62 O GLY A 7 -6.942 -25.741 10.520 1.00 0.00 O ATOM 0 H GLY A 7 -5.300 -29.474 10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.735 -27.241 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.353 -27.526 11.196 1.00 0.00 H new ATOM 66 N GLY A 8 -5.107 -26.072 9.262 1.00 0.00 N ATOM 67 CA GLY A 8 -5.450 -25.016 8.328 1.00 0.00 C ATOM 68 C GLY A 8 -4.489 -24.943 7.157 1.00 0.00 C ATOM 69 O GLY A 8 -3.424 -25.560 7.180 1.00 0.00 O ATOM 0 H GLY A 8 -4.236 -26.561 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.461 -25.179 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.454 -24.060 8.851 1.00 0.00 H new ATOM 73 N SER A 9 -4.867 -24.188 6.131 1.00 0.00 N ATOM 74 CA SER A 9 -4.033 -24.041 4.943 1.00 0.00 C ATOM 75 C SER A 9 -4.555 -22.921 4.048 1.00 0.00 C ATOM 76 O SER A 9 -5.653 -22.405 4.259 1.00 0.00 O ATOM 77 CB SER A 9 -3.987 -25.354 4.161 1.00 0.00 C ATOM 78 OG SER A 9 -2.942 -26.190 4.628 1.00 0.00 O ATOM 0 H SER A 9 -5.744 -23.669 6.098 1.00 0.00 H new ATOM 0 HA SER A 9 -3.025 -23.784 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.941 -25.872 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.843 -25.145 3.101 1.00 0.00 H new ATOM 0 HG SER A 9 -2.906 -26.153 5.607 1.00 0.00 H new ATOM 84 N GLU A 10 -3.760 -22.550 3.050 1.00 0.00 N ATOM 85 CA GLU A 10 -4.141 -21.491 2.123 1.00 0.00 C ATOM 86 C GLU A 10 -4.638 -20.261 2.878 1.00 0.00 C ATOM 87 O GLU A 10 -5.614 -19.628 2.478 1.00 0.00 O ATOM 88 CB GLU A 10 -5.226 -21.987 1.165 1.00 0.00 C ATOM 89 CG GLU A 10 -5.383 -21.124 -0.076 1.00 0.00 C ATOM 90 CD GLU A 10 -4.240 -21.300 -1.057 1.00 0.00 C ATOM 91 OE1 GLU A 10 -3.961 -22.454 -1.443 1.00 0.00 O ATOM 92 OE2 GLU A 10 -3.625 -20.282 -1.439 1.00 0.00 O ATOM 0 H GLU A 10 -2.848 -22.967 2.863 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.258 -21.212 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.992 -23.007 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.178 -22.023 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.322 -21.372 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.445 -20.077 0.220 1.00 0.00 H new ATOM 99 N GLU A 11 -3.958 -19.930 3.971 1.00 0.00 N ATOM 100 CA GLU A 11 -4.331 -18.777 4.782 1.00 0.00 C ATOM 101 C GLU A 11 -4.015 -17.474 4.054 1.00 0.00 C ATOM 102 O GLU A 11 -3.327 -17.473 3.034 1.00 0.00 O ATOM 103 CB GLU A 11 -3.600 -18.813 6.126 1.00 0.00 C ATOM 104 CG GLU A 11 -2.101 -18.598 6.009 1.00 0.00 C ATOM 105 CD GLU A 11 -1.357 -18.979 7.275 1.00 0.00 C ATOM 106 OE1 GLU A 11 -1.611 -20.082 7.803 1.00 0.00 O ATOM 107 OE2 GLU A 11 -0.521 -18.175 7.736 1.00 0.00 O ATOM 0 H GLU A 11 -3.147 -20.443 4.315 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.406 -18.822 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.019 -18.047 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.784 -19.775 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.717 -19.186 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.905 -17.551 5.778 1.00 0.00 H new ATOM 114 N GLU A 12 -4.524 -16.367 4.586 1.00 0.00 N ATOM 115 CA GLU A 12 -4.297 -15.058 3.985 1.00 0.00 C ATOM 116 C GLU A 12 -3.364 -14.217 4.851 1.00 0.00 C ATOM 117 O GLU A 12 -3.812 -13.468 5.718 1.00 0.00 O ATOM 118 CB GLU A 12 -5.626 -14.325 3.788 1.00 0.00 C ATOM 119 CG GLU A 12 -6.391 -14.774 2.554 1.00 0.00 C ATOM 120 CD GLU A 12 -6.539 -16.281 2.475 1.00 0.00 C ATOM 121 OE1 GLU A 12 -5.561 -16.953 2.087 1.00 0.00 O ATOM 122 OE2 GLU A 12 -7.633 -16.787 2.801 1.00 0.00 O ATOM 0 H GLU A 12 -5.095 -16.351 5.431 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.826 -15.209 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.250 -14.479 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.434 -13.254 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.380 -14.315 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.877 -14.416 1.662 1.00 0.00 H new ATOM 129 N GLU A 13 -2.063 -14.347 4.608 1.00 0.00 N ATOM 130 CA GLU A 13 -1.067 -13.600 5.366 1.00 0.00 C ATOM 131 C GLU A 13 -1.407 -12.112 5.394 1.00 0.00 C ATOM 132 O GLU A 13 -1.281 -11.455 6.428 1.00 0.00 O ATOM 133 CB GLU A 13 0.324 -13.805 4.763 1.00 0.00 C ATOM 134 CG GLU A 13 0.434 -13.351 3.317 1.00 0.00 C ATOM 135 CD GLU A 13 1.829 -13.534 2.752 1.00 0.00 C ATOM 136 OE1 GLU A 13 2.254 -14.695 2.581 1.00 0.00 O ATOM 137 OE2 GLU A 13 2.497 -12.513 2.481 1.00 0.00 O ATOM 0 H GLU A 13 -1.675 -14.962 3.893 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.071 -13.975 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.054 -13.261 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.585 -14.862 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.276 -13.911 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.153 -12.300 3.248 1.00 0.00 H new ATOM 144 N ILE A 14 -1.837 -11.589 4.251 1.00 0.00 N ATOM 145 CA ILE A 14 -2.196 -10.180 4.144 1.00 0.00 C ATOM 146 C ILE A 14 -2.841 -9.678 5.431 1.00 0.00 C ATOM 147 O ILE A 14 -3.726 -10.317 6.002 1.00 0.00 O ATOM 148 CB ILE A 14 -3.160 -9.932 2.969 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.491 -10.304 1.645 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.610 -8.479 2.951 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.432 -10.269 0.461 1.00 0.00 C ATOM 0 H ILE A 14 -1.945 -12.119 3.386 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.271 -9.631 3.966 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.039 -10.563 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.663 -9.620 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.065 -11.304 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.291 -8.319 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.121 -8.245 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.741 -7.830 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.889 -10.544 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.247 -10.974 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.839 -9.264 0.349 1.00 0.00 H new ATOM 163 N PRO A 15 -2.391 -8.504 5.900 1.00 0.00 N ATOM 164 CA PRO A 15 -2.913 -7.889 7.124 1.00 0.00 C ATOM 165 C PRO A 15 -4.342 -7.385 6.956 1.00 0.00 C ATOM 166 O PRO A 15 -4.793 -7.130 5.839 1.00 0.00 O ATOM 167 CB PRO A 15 -1.958 -6.717 7.366 1.00 0.00 C ATOM 168 CG PRO A 15 -1.415 -6.386 6.019 1.00 0.00 C ATOM 169 CD PRO A 15 -1.339 -7.688 5.272 1.00 0.00 C ATOM 0 HA PRO A 15 -2.958 -8.599 7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.479 -5.865 7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.161 -6.992 8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.061 -5.676 5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.431 -5.923 6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.520 -7.551 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.358 -8.152 5.372 1.00 0.00 H new ATOM 177 N PHE A 16 -5.050 -7.243 8.072 1.00 0.00 N ATOM 178 CA PHE A 16 -6.429 -6.770 8.048 1.00 0.00 C ATOM 179 C PHE A 16 -6.513 -5.316 8.504 1.00 0.00 C ATOM 180 O PHE A 16 -7.289 -4.528 7.963 1.00 0.00 O ATOM 181 CB PHE A 16 -7.307 -7.648 8.940 1.00 0.00 C ATOM 182 CG PHE A 16 -8.715 -7.142 9.080 1.00 0.00 C ATOM 183 CD1 PHE A 16 -9.637 -7.331 8.064 1.00 0.00 C ATOM 184 CD2 PHE A 16 -9.115 -6.478 10.228 1.00 0.00 C ATOM 185 CE1 PHE A 16 -10.933 -6.866 8.190 1.00 0.00 C ATOM 186 CE2 PHE A 16 -10.409 -6.010 10.360 1.00 0.00 C ATOM 187 CZ PHE A 16 -11.319 -6.206 9.340 1.00 0.00 C ATOM 0 H PHE A 16 -4.691 -7.449 9.004 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.790 -6.832 7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.331 -8.658 8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.854 -7.715 9.929 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.340 -7.847 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -8.408 -6.324 11.029 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.642 -7.019 7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.708 -5.492 11.259 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.331 -5.844 9.442 1.00 0.00 H new ATOM 197 N ARG A 17 -5.709 -4.968 9.503 1.00 0.00 N ATOM 198 CA ARG A 17 -5.693 -3.611 10.034 1.00 0.00 C ATOM 199 C ARG A 17 -4.263 -3.097 10.172 1.00 0.00 C ATOM 200 O ARG A 17 -3.306 -3.870 10.112 1.00 0.00 O ATOM 201 CB ARG A 17 -6.397 -3.563 11.392 1.00 0.00 C ATOM 202 CG ARG A 17 -5.550 -4.096 12.536 1.00 0.00 C ATOM 203 CD ARG A 17 -6.029 -3.566 13.878 1.00 0.00 C ATOM 204 NE ARG A 17 -7.200 -4.289 14.366 1.00 0.00 N ATOM 205 CZ ARG A 17 -7.148 -5.516 14.873 1.00 0.00 C ATOM 206 NH1 ARG A 17 -5.988 -6.153 14.958 1.00 0.00 N ATOM 207 NH2 ARG A 17 -8.258 -6.108 15.295 1.00 0.00 N ATOM 0 H ARG A 17 -5.060 -5.608 9.961 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.226 -2.968 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.679 -2.533 11.609 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.319 -4.141 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.586 -5.185 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.509 -3.812 12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.223 -3.646 14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.270 -2.507 13.784 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.108 -3.827 14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.133 -5.701 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.951 -7.095 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.152 -5.621 15.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.217 -7.050 15.684 1.00 0.00 H new ATOM 221 N CYS A 18 -4.125 -1.789 10.358 1.00 0.00 N ATOM 222 CA CYS A 18 -2.812 -1.171 10.504 1.00 0.00 C ATOM 223 C CYS A 18 -2.106 -1.682 11.756 1.00 0.00 C ATOM 224 O CYS A 18 -2.740 -2.230 12.659 1.00 0.00 O ATOM 225 CB CYS A 18 -2.946 0.352 10.566 1.00 0.00 C ATOM 226 SG CYS A 18 -1.372 1.226 10.839 1.00 0.00 S ATOM 0 H CYS A 18 -4.907 -1.136 10.411 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.212 -1.441 9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.389 0.705 9.635 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.638 0.613 11.367 1.00 0.00 H new ATOM 231 N PHE A 19 -0.791 -1.499 11.804 1.00 0.00 N ATOM 232 CA PHE A 19 0.002 -1.942 12.945 1.00 0.00 C ATOM 233 C PHE A 19 0.557 -0.749 13.717 1.00 0.00 C ATOM 234 O PHE A 19 0.755 -0.819 14.930 1.00 0.00 O ATOM 235 CB PHE A 19 1.149 -2.840 12.478 1.00 0.00 C ATOM 236 CG PHE A 19 1.670 -2.487 11.114 1.00 0.00 C ATOM 237 CD1 PHE A 19 1.013 -2.918 9.974 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.818 -1.723 10.973 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.490 -2.595 8.717 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.299 -1.396 9.720 1.00 0.00 C ATOM 241 CZ PHE A 19 2.635 -1.833 8.590 1.00 0.00 C ATOM 0 H PHE A 19 -0.252 -1.047 11.066 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.649 -2.511 13.609 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.965 -2.777 13.197 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.809 -3.876 12.472 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.117 -3.514 10.068 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.342 -1.380 11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.968 -2.938 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.194 -0.799 9.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.010 -1.579 7.610 1.00 0.00 H new ATOM 251 N ILE A 20 0.806 0.345 13.005 1.00 0.00 N ATOM 252 CA ILE A 20 1.338 1.554 13.623 1.00 0.00 C ATOM 253 C ILE A 20 0.329 2.167 14.588 1.00 0.00 C ATOM 254 O ILE A 20 0.704 2.787 15.583 1.00 0.00 O ATOM 255 CB ILE A 20 1.724 2.604 12.565 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.835 2.065 11.661 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.162 3.897 13.237 1.00 0.00 C ATOM 258 CD1 ILE A 20 2.968 2.815 10.354 1.00 0.00 C ATOM 0 H ILE A 20 0.648 0.419 12.000 1.00 0.00 H new ATOM 0 HA ILE A 20 2.232 1.260 14.174 1.00 0.00 H new ATOM 0 HB ILE A 20 0.850 2.815 11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.783 2.113 12.196 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.642 1.013 11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.432 4.629 12.476 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.344 4.287 13.843 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.024 3.702 13.874 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.774 2.379 9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.033 2.745 9.798 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.192 3.862 10.557 1.00 0.00 H new ATOM 270 N CYS A 21 -0.953 1.989 14.287 1.00 0.00 N ATOM 271 CA CYS A 21 -2.017 2.524 15.127 1.00 0.00 C ATOM 272 C CYS A 21 -2.945 1.410 15.604 1.00 0.00 C ATOM 273 O CYS A 21 -3.707 1.587 16.555 1.00 0.00 O ATOM 274 CB CYS A 21 -2.819 3.579 14.362 1.00 0.00 C ATOM 275 SG CYS A 21 -3.463 3.003 12.758 1.00 0.00 S ATOM 0 H CYS A 21 -1.280 1.478 13.467 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.558 2.989 15.999 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.655 3.905 14.981 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.187 4.451 14.196 1.00 0.00 H new ATOM 280 N ARG A 22 -2.876 0.264 14.936 1.00 0.00 N ATOM 281 CA ARG A 22 -3.710 -0.879 15.290 1.00 0.00 C ATOM 282 C ARG A 22 -5.182 -0.580 15.022 1.00 0.00 C ATOM 283 O ARG A 22 -6.060 -1.039 15.753 1.00 0.00 O ATOM 284 CB ARG A 22 -3.512 -1.245 16.762 1.00 0.00 C ATOM 285 CG ARG A 22 -2.053 -1.400 17.160 1.00 0.00 C ATOM 286 CD ARG A 22 -1.434 -2.641 16.537 1.00 0.00 C ATOM 287 NE ARG A 22 -1.752 -3.849 17.294 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.957 -4.912 17.351 1.00 0.00 C ATOM 289 NH1 ARG A 22 0.198 -4.915 16.699 1.00 0.00 N ATOM 290 NH2 ARG A 22 -1.315 -5.973 18.061 1.00 0.00 N ATOM 0 H ARG A 22 -2.251 0.102 14.146 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.409 -1.723 14.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.970 -0.476 17.384 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.038 -2.177 16.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.494 -0.518 16.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.975 -1.459 18.246 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.792 -2.750 15.513 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.352 -2.520 16.485 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.633 -3.878 17.807 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.477 -4.100 16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.807 -5.732 16.744 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.202 -5.974 18.565 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.703 -6.788 18.104 1.00 0.00 H new ATOM 304 N GLN A 23 -5.443 0.191 13.972 1.00 0.00 N ATOM 305 CA GLN A 23 -6.809 0.552 13.610 1.00 0.00 C ATOM 306 C GLN A 23 -7.125 0.122 12.181 1.00 0.00 C ATOM 307 O GLN A 23 -6.244 -0.330 11.450 1.00 0.00 O ATOM 308 CB GLN A 23 -7.018 2.059 13.760 1.00 0.00 C ATOM 309 CG GLN A 23 -6.047 2.715 14.730 1.00 0.00 C ATOM 310 CD GLN A 23 -6.479 2.569 16.175 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.554 2.043 16.464 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.642 3.036 17.094 1.00 0.00 N ATOM 0 H GLN A 23 -4.727 0.578 13.357 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.487 0.030 14.285 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.916 2.531 12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.037 2.244 14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.059 2.273 14.604 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.956 3.774 14.487 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.761 3.465 16.811 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.880 2.966 18.083 1.00 0.00 H new ATOM 321 N ALA A 24 -8.387 0.266 11.790 1.00 0.00 N ATOM 322 CA ALA A 24 -8.818 -0.105 10.448 1.00 0.00 C ATOM 323 C ALA A 24 -7.972 0.591 9.388 1.00 0.00 C ATOM 324 O ALA A 24 -7.877 1.818 9.362 1.00 0.00 O ATOM 325 CB ALA A 24 -10.290 0.229 10.256 1.00 0.00 C ATOM 0 H ALA A 24 -9.129 0.637 12.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.683 -1.181 10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.599 -0.053 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.886 -0.320 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.441 1.299 10.395 1.00 0.00 H new ATOM 331 N PHE A 25 -7.358 -0.201 8.514 1.00 0.00 N ATOM 332 CA PHE A 25 -6.518 0.340 7.451 1.00 0.00 C ATOM 333 C PHE A 25 -7.193 1.530 6.777 1.00 0.00 C ATOM 334 O PHE A 25 -8.217 1.381 6.111 1.00 0.00 O ATOM 335 CB PHE A 25 -6.212 -0.742 6.414 1.00 0.00 C ATOM 336 CG PHE A 25 -4.973 -1.534 6.721 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.792 -0.894 7.058 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.991 -2.919 6.673 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.650 -1.619 7.341 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.852 -3.650 6.957 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.680 -2.999 7.290 1.00 0.00 C ATOM 0 H PHE A 25 -7.426 -1.219 8.521 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.584 0.680 7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.061 -1.422 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.102 -0.275 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.763 0.185 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.904 -3.433 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.735 -1.107 7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.879 -4.729 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.789 -3.568 7.510 1.00 0.00 H new ATOM 351 N GLN A 26 -6.611 2.712 6.955 1.00 0.00 N ATOM 352 CA GLN A 26 -7.157 3.929 6.365 1.00 0.00 C ATOM 353 C GLN A 26 -6.276 4.422 5.222 1.00 0.00 C ATOM 354 O GLN A 26 -5.187 4.947 5.447 1.00 0.00 O ATOM 355 CB GLN A 26 -7.292 5.020 7.428 1.00 0.00 C ATOM 356 CG GLN A 26 -8.390 4.748 8.443 1.00 0.00 C ATOM 357 CD GLN A 26 -8.809 5.995 9.198 1.00 0.00 C ATOM 358 OE1 GLN A 26 -8.130 7.021 9.149 1.00 0.00 O ATOM 359 NE2 GLN A 26 -9.932 5.912 9.902 1.00 0.00 N ATOM 0 H GLN A 26 -5.762 2.853 7.503 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.144 3.698 5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.342 5.124 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.491 5.972 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.257 4.329 7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.045 3.997 9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.463 5.041 9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.263 6.719 10.431 1.00 0.00 H new ATOM 368 N ASN A 27 -6.756 4.248 3.995 1.00 0.00 N ATOM 369 CA ASN A 27 -6.011 4.675 2.815 1.00 0.00 C ATOM 370 C ASN A 27 -4.600 4.096 2.825 1.00 0.00 C ATOM 371 O ASN A 27 -3.606 4.815 2.717 1.00 0.00 O ATOM 372 CB ASN A 27 -5.948 6.202 2.752 1.00 0.00 C ATOM 373 CG ASN A 27 -7.227 6.854 3.238 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.325 6.349 3.001 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.092 7.984 3.923 1.00 0.00 N ATOM 0 H ASN A 27 -7.657 3.815 3.791 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.531 4.303 1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.112 6.554 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.752 6.513 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.918 8.468 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.163 8.367 4.097 1.00 0.00 H new ATOM 382 N PRO A 28 -4.507 2.764 2.956 1.00 0.00 N ATOM 383 CA PRO A 28 -3.222 2.059 2.981 1.00 0.00 C ATOM 384 C PRO A 28 -2.527 2.072 1.624 1.00 0.00 C ATOM 385 O PRO A 28 -3.179 2.043 0.581 1.00 0.00 O ATOM 386 CB PRO A 28 -3.610 0.630 3.370 1.00 0.00 C ATOM 387 CG PRO A 28 -5.024 0.487 2.925 1.00 0.00 C ATOM 388 CD PRO A 28 -5.649 1.845 3.089 1.00 0.00 C ATOM 0 HA PRO A 28 -2.514 2.525 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.966 -0.102 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.515 0.473 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.075 0.157 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.548 -0.259 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.407 2.033 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.137 1.948 4.058 1.00 0.00 H new ATOM 396 N VAL A 29 -1.198 2.115 1.645 1.00 0.00 N ATOM 397 CA VAL A 29 -0.414 2.130 0.416 1.00 0.00 C ATOM 398 C VAL A 29 0.653 1.042 0.432 1.00 0.00 C ATOM 399 O VAL A 29 1.265 0.772 1.466 1.00 0.00 O ATOM 400 CB VAL A 29 0.264 3.496 0.200 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.779 4.583 -0.011 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.167 3.834 1.376 1.00 0.00 C ATOM 0 H VAL A 29 -0.642 2.140 2.500 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.107 1.943 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 29 0.880 3.438 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.281 5.541 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.381 4.345 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.424 4.644 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.638 4.802 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.575 3.874 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.937 3.069 1.475 1.00 0.00 H new ATOM 412 N VAL A 30 0.873 0.419 -0.722 1.00 0.00 N ATOM 413 CA VAL A 30 1.868 -0.639 -0.842 1.00 0.00 C ATOM 414 C VAL A 30 3.248 -0.065 -1.145 1.00 0.00 C ATOM 415 O VAL A 30 3.408 0.750 -2.055 1.00 0.00 O ATOM 416 CB VAL A 30 1.489 -1.644 -1.946 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.594 -0.995 -3.318 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.369 -2.882 -1.865 1.00 0.00 C ATOM 0 H VAL A 30 0.375 0.629 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 30 1.896 -1.157 0.117 1.00 0.00 H new ATOM 0 HB VAL A 30 0.454 -1.951 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.323 -1.720 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.918 -0.142 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.617 -0.658 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.087 -3.581 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.413 -2.595 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.238 -3.358 -0.893 1.00 0.00 H new ATOM 428 N THR A 31 4.244 -0.494 -0.376 1.00 0.00 N ATOM 429 CA THR A 31 5.610 -0.023 -0.561 1.00 0.00 C ATOM 430 C THR A 31 6.462 -1.069 -1.270 1.00 0.00 C ATOM 431 O THR A 31 5.988 -2.162 -1.584 1.00 0.00 O ATOM 432 CB THR A 31 6.269 0.332 0.786 1.00 0.00 C ATOM 433 OG1 THR A 31 6.006 -0.697 1.746 1.00 0.00 O ATOM 434 CG2 THR A 31 5.751 1.664 1.307 1.00 0.00 C ATOM 0 H THR A 31 4.129 -1.168 0.381 1.00 0.00 H new ATOM 0 HA THR A 31 5.554 0.874 -1.178 1.00 0.00 H new ATOM 0 HB THR A 31 7.344 0.415 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.745 -0.742 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.230 1.894 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.979 2.450 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.672 1.604 1.449 1.00 0.00 H new ATOM 442 N LYS A 32 7.722 -0.730 -1.520 1.00 0.00 N ATOM 443 CA LYS A 32 8.642 -1.640 -2.191 1.00 0.00 C ATOM 444 C LYS A 32 8.892 -2.883 -1.343 1.00 0.00 C ATOM 445 O LYS A 32 9.203 -3.953 -1.868 1.00 0.00 O ATOM 446 CB LYS A 32 9.967 -0.935 -2.485 1.00 0.00 C ATOM 447 CG LYS A 32 9.999 -0.234 -3.832 1.00 0.00 C ATOM 448 CD LYS A 32 8.895 0.804 -3.946 1.00 0.00 C ATOM 449 CE LYS A 32 8.505 1.045 -5.397 1.00 0.00 C ATOM 450 NZ LYS A 32 7.095 1.509 -5.522 1.00 0.00 N ATOM 0 H LYS A 32 8.130 0.170 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 32 8.186 -1.949 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.162 -0.204 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.774 -1.667 -2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.967 0.247 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.892 -0.970 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.022 0.472 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.226 1.740 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.172 1.788 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.636 0.125 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.764 1.357 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.494 0.973 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.041 2.522 -5.293 1.00 0.00 H new ATOM 464 N CYS A 33 8.752 -2.736 -0.030 1.00 0.00 N ATOM 465 CA CYS A 33 8.962 -3.846 0.891 1.00 0.00 C ATOM 466 C CYS A 33 7.716 -4.723 0.978 1.00 0.00 C ATOM 467 O CYS A 33 7.607 -5.579 1.857 1.00 0.00 O ATOM 468 CB CYS A 33 9.328 -3.321 2.281 1.00 0.00 C ATOM 469 SG CYS A 33 8.191 -2.050 2.918 1.00 0.00 S ATOM 0 H CYS A 33 8.494 -1.858 0.420 1.00 0.00 H new ATOM 0 HA CYS A 33 9.785 -4.451 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.349 -4.157 2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.336 -2.908 2.248 1.00 0.00 H new ATOM 474 N ARG A 34 6.779 -4.504 0.062 1.00 0.00 N ATOM 475 CA ARG A 34 5.541 -5.273 0.035 1.00 0.00 C ATOM 476 C ARG A 34 4.786 -5.133 1.354 1.00 0.00 C ATOM 477 O ARG A 34 4.335 -6.122 1.931 1.00 0.00 O ATOM 478 CB ARG A 34 5.838 -6.748 -0.241 1.00 0.00 C ATOM 479 CG ARG A 34 6.206 -7.035 -1.687 1.00 0.00 C ATOM 480 CD ARG A 34 5.009 -6.869 -2.610 1.00 0.00 C ATOM 481 NE ARG A 34 3.913 -7.766 -2.253 1.00 0.00 N ATOM 482 CZ ARG A 34 3.040 -8.246 -3.132 1.00 0.00 C ATOM 483 NH1 ARG A 34 3.134 -7.915 -4.412 1.00 0.00 N ATOM 484 NH2 ARG A 34 2.071 -9.058 -2.730 1.00 0.00 N ATOM 0 H ARG A 34 6.854 -3.800 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 34 4.915 -4.880 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.655 -7.072 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.965 -7.342 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.005 -6.363 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.593 -8.051 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.660 -5.837 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.315 -7.062 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 34 3.812 -8.039 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.878 -7.291 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.463 -8.285 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.996 -9.314 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.401 -9.426 -3.405 1.00 0.00 H new ATOM 498 N HIS A 35 4.653 -3.897 1.825 1.00 0.00 N ATOM 499 CA HIS A 35 3.952 -3.627 3.076 1.00 0.00 C ATOM 500 C HIS A 35 2.908 -2.531 2.888 1.00 0.00 C ATOM 501 O HIS A 35 2.958 -1.771 1.920 1.00 0.00 O ATOM 502 CB HIS A 35 4.946 -3.220 4.164 1.00 0.00 C ATOM 503 CG HIS A 35 5.739 -4.367 4.710 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.882 -4.200 5.464 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.548 -5.703 4.610 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.360 -5.384 5.803 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.568 -6.313 5.297 1.00 0.00 N ATOM 0 H HIS A 35 5.021 -3.067 1.360 1.00 0.00 H new ATOM 0 HA HIS A 35 3.443 -4.540 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.631 -2.476 3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.404 -2.743 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.743 -6.197 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.247 -5.562 6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.694 -7.320 5.400 1.00 0.00 H new ATOM 515 N TYR A 36 1.963 -2.455 3.819 1.00 0.00 N ATOM 516 CA TYR A 36 0.905 -1.453 3.754 1.00 0.00 C ATOM 517 C TYR A 36 0.895 -0.589 5.011 1.00 0.00 C ATOM 518 O TYR A 36 1.188 -1.065 6.108 1.00 0.00 O ATOM 519 CB TYR A 36 -0.455 -2.129 3.575 1.00 0.00 C ATOM 520 CG TYR A 36 -0.446 -3.250 2.560 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.584 -2.986 1.203 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.299 -4.573 2.958 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.577 -4.007 0.272 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.289 -5.600 2.034 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.429 -5.312 0.693 1.00 0.00 C ATOM 526 OH TYR A 36 -0.421 -6.332 -0.231 1.00 0.00 O ATOM 0 H TYR A 36 1.908 -3.075 4.627 1.00 0.00 H new ATOM 0 HA TYR A 36 1.100 -0.810 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.784 -2.523 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.186 -1.380 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.699 -1.965 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.191 -4.803 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.687 -3.784 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.172 -6.623 2.360 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.307 -7.190 0.229 1.00 0.00 H new ATOM 536 N PHE A 37 0.555 0.684 4.843 1.00 0.00 N ATOM 537 CA PHE A 37 0.507 1.617 5.963 1.00 0.00 C ATOM 538 C PHE A 37 -0.471 2.755 5.681 1.00 0.00 C ATOM 539 O PHE A 37 -0.550 3.257 4.560 1.00 0.00 O ATOM 540 CB PHE A 37 1.900 2.184 6.243 1.00 0.00 C ATOM 541 CG PHE A 37 3.008 1.201 5.993 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.319 0.800 4.704 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.739 0.679 7.048 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.339 -0.103 4.471 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.759 -0.225 6.821 1.00 0.00 C ATOM 546 CZ PHE A 37 5.059 -0.618 5.531 1.00 0.00 C ATOM 0 H PHE A 37 0.309 1.094 3.942 1.00 0.00 H new ATOM 0 HA PHE A 37 0.161 1.073 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.058 3.064 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.947 2.516 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.758 1.198 3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.509 0.982 8.059 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.573 -0.406 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.322 -0.624 7.652 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.855 -1.326 5.352 1.00 0.00 H new ATOM 556 N CYS A 38 -1.214 3.155 6.707 1.00 0.00 N ATOM 557 CA CYS A 38 -2.188 4.232 6.572 1.00 0.00 C ATOM 558 C CYS A 38 -1.556 5.458 5.918 1.00 0.00 C ATOM 559 O CYS A 38 -0.504 5.930 6.349 1.00 0.00 O ATOM 560 CB CYS A 38 -2.757 4.608 7.941 1.00 0.00 C ATOM 561 SG CYS A 38 -3.326 3.184 8.926 1.00 0.00 S ATOM 0 H CYS A 38 -1.160 2.750 7.641 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.998 3.878 5.934 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.994 5.145 8.505 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.591 5.295 7.800 1.00 0.00 H new ATOM 566 N GLU A 39 -2.206 5.967 4.876 1.00 0.00 N ATOM 567 CA GLU A 39 -1.707 7.137 4.163 1.00 0.00 C ATOM 568 C GLU A 39 -1.123 8.159 5.135 1.00 0.00 C ATOM 569 O GLU A 39 -0.210 8.908 4.790 1.00 0.00 O ATOM 570 CB GLU A 39 -2.829 7.779 3.344 1.00 0.00 C ATOM 571 CG GLU A 39 -2.367 8.951 2.494 1.00 0.00 C ATOM 572 CD GLU A 39 -3.454 9.988 2.289 1.00 0.00 C ATOM 573 OE1 GLU A 39 -3.936 10.548 3.296 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.824 10.239 1.123 1.00 0.00 O ATOM 0 H GLU A 39 -3.078 5.588 4.507 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.916 6.810 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.273 7.023 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.613 8.118 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.506 9.422 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.034 8.582 1.524 1.00 0.00 H new ATOM 581 N SER A 40 -1.658 8.182 6.352 1.00 0.00 N ATOM 582 CA SER A 40 -1.194 9.114 7.373 1.00 0.00 C ATOM 583 C SER A 40 0.020 8.553 8.109 1.00 0.00 C ATOM 584 O SER A 40 1.035 9.233 8.264 1.00 0.00 O ATOM 585 CB SER A 40 -2.316 9.412 8.369 1.00 0.00 C ATOM 586 OG SER A 40 -3.504 9.796 7.700 1.00 0.00 O ATOM 0 H SER A 40 -2.413 7.566 6.655 1.00 0.00 H new ATOM 0 HA SER A 40 -0.901 10.040 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.508 8.530 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.003 10.207 9.046 1.00 0.00 H new ATOM 0 HG SER A 40 -4.206 9.979 8.359 1.00 0.00 H new ATOM 592 N CYS A 41 -0.093 7.309 8.560 1.00 0.00 N ATOM 593 CA CYS A 41 0.993 6.654 9.280 1.00 0.00 C ATOM 594 C CYS A 41 2.260 6.610 8.431 1.00 0.00 C ATOM 595 O CYS A 41 3.370 6.724 8.948 1.00 0.00 O ATOM 596 CB CYS A 41 0.584 5.236 9.682 1.00 0.00 C ATOM 597 SG CYS A 41 -0.590 5.166 11.073 1.00 0.00 S ATOM 0 H CYS A 41 -0.926 6.733 8.440 1.00 0.00 H new ATOM 0 HA CYS A 41 1.201 7.233 10.180 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.139 4.740 8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.479 4.673 9.947 1.00 0.00 H new ATOM 602 N ALA A 42 2.083 6.443 7.124 1.00 0.00 N ATOM 603 CA ALA A 42 3.211 6.385 6.202 1.00 0.00 C ATOM 604 C ALA A 42 3.923 7.731 6.121 1.00 0.00 C ATOM 605 O ALA A 42 5.130 7.822 6.352 1.00 0.00 O ATOM 606 CB ALA A 42 2.743 5.950 4.822 1.00 0.00 C ATOM 0 H ALA A 42 1.170 6.346 6.680 1.00 0.00 H new ATOM 0 HA ALA A 42 3.921 5.650 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.596 5.911 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.286 4.963 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.011 6.664 4.444 1.00 0.00 H new ATOM 612 N LEU A 43 3.170 8.775 5.792 1.00 0.00 N ATOM 613 CA LEU A 43 3.730 10.117 5.680 1.00 0.00 C ATOM 614 C LEU A 43 4.274 10.594 7.022 1.00 0.00 C ATOM 615 O LEU A 43 5.394 11.096 7.106 1.00 0.00 O ATOM 616 CB LEU A 43 2.668 11.093 5.171 1.00 0.00 C ATOM 617 CG LEU A 43 2.021 10.743 3.830 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.741 11.539 3.631 1.00 0.00 C ATOM 619 CD2 LEU A 43 2.993 10.996 2.687 1.00 0.00 C ATOM 0 H LEU A 43 2.170 8.718 5.598 1.00 0.00 H new ATOM 0 HA LEU A 43 4.554 10.082 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.882 11.167 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.122 12.080 5.086 1.00 0.00 H new ATOM 0 HG LEU A 43 1.767 9.683 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.295 11.277 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.040 11.307 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.969 12.605 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.516 10.742 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.278 12.048 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.882 10.380 2.822 1.00 0.00 H new ATOM 631 N GLU A 44 3.473 10.431 8.071 1.00 0.00 N ATOM 632 CA GLU A 44 3.876 10.845 9.410 1.00 0.00 C ATOM 633 C GLU A 44 5.211 10.214 9.796 1.00 0.00 C ATOM 634 O GLU A 44 6.102 10.888 10.314 1.00 0.00 O ATOM 635 CB GLU A 44 2.804 10.458 10.431 1.00 0.00 C ATOM 636 CG GLU A 44 3.020 9.089 11.053 1.00 0.00 C ATOM 637 CD GLU A 44 2.094 8.827 12.225 1.00 0.00 C ATOM 638 OE1 GLU A 44 1.676 9.804 12.881 1.00 0.00 O ATOM 639 OE2 GLU A 44 1.789 7.645 12.486 1.00 0.00 O ATOM 0 H GLU A 44 2.543 10.016 8.019 1.00 0.00 H new ATOM 0 HA GLU A 44 3.993 11.929 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.781 11.207 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.828 10.477 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.866 8.321 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.054 9.005 11.386 1.00 0.00 H new ATOM 646 N HIS A 45 5.342 8.917 9.539 1.00 0.00 N ATOM 647 CA HIS A 45 6.569 8.194 9.858 1.00 0.00 C ATOM 648 C HIS A 45 7.715 8.644 8.958 1.00 0.00 C ATOM 649 O HIS A 45 8.832 8.871 9.423 1.00 0.00 O ATOM 650 CB HIS A 45 6.351 6.688 9.712 1.00 0.00 C ATOM 651 CG HIS A 45 7.200 5.868 10.634 1.00 0.00 C ATOM 652 ND1 HIS A 45 7.425 6.208 11.952 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.879 4.716 10.423 1.00 0.00 C ATOM 654 CE1 HIS A 45 8.207 5.301 12.510 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.497 4.385 11.604 1.00 0.00 N ATOM 0 H HIS A 45 4.614 8.345 9.111 1.00 0.00 H new ATOM 0 HA HIS A 45 6.834 8.417 10.892 1.00 0.00 H new ATOM 0 HB2 HIS A 45 5.302 6.461 9.900 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.561 6.397 8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.926 4.161 9.498 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.551 5.308 13.534 1.00 0.00 H new ATOM 0 HE2 HIS A 45 9.084 3.565 11.757 1.00 0.00 H new ATOM 663 N PHE A 46 7.431 8.772 7.666 1.00 0.00 N ATOM 664 CA PHE A 46 8.438 9.193 6.699 1.00 0.00 C ATOM 665 C PHE A 46 9.135 10.469 7.161 1.00 0.00 C ATOM 666 O PHE A 46 10.354 10.599 7.049 1.00 0.00 O ATOM 667 CB PHE A 46 7.798 9.416 5.328 1.00 0.00 C ATOM 668 CG PHE A 46 8.722 10.056 4.332 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.843 9.382 3.875 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.470 11.332 3.853 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.696 9.968 2.958 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.319 11.922 2.935 1.00 0.00 C ATOM 673 CZ PHE A 46 10.434 11.240 2.488 1.00 0.00 C ATOM 0 H PHE A 46 6.511 8.590 7.264 1.00 0.00 H new ATOM 0 HA PHE A 46 9.183 8.401 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.459 8.458 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.914 10.043 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.053 8.387 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.601 11.871 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.566 9.432 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.110 12.916 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.099 11.700 1.773 1.00 0.00 H new ATOM 683 N ARG A 47 8.352 11.409 7.681 1.00 0.00 N ATOM 684 CA ARG A 47 8.893 12.676 8.159 1.00 0.00 C ATOM 685 C ARG A 47 10.020 12.443 9.160 1.00 0.00 C ATOM 686 O ARG A 47 11.151 12.882 8.951 1.00 0.00 O ATOM 687 CB ARG A 47 7.789 13.515 8.804 1.00 0.00 C ATOM 688 CG ARG A 47 6.714 13.962 7.827 1.00 0.00 C ATOM 689 CD ARG A 47 5.593 14.707 8.534 1.00 0.00 C ATOM 690 NE ARG A 47 4.383 14.777 7.719 1.00 0.00 N ATOM 691 CZ ARG A 47 3.236 15.290 8.149 1.00 0.00 C ATOM 692 NH1 ARG A 47 3.143 15.776 9.379 1.00 0.00 N ATOM 693 NH2 ARG A 47 2.178 15.319 7.348 1.00 0.00 N ATOM 0 H ARG A 47 7.341 11.317 7.782 1.00 0.00 H new ATOM 0 HA ARG A 47 9.297 13.216 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.324 12.937 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.236 14.395 9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.157 14.605 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.306 13.093 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.366 14.210 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.925 15.716 8.777 1.00 0.00 H new ATOM 0 HE ARG A 47 4.421 14.412 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.954 15.757 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.261 16.169 9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.245 14.947 6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.298 15.713 7.680 1.00 0.00 H new ATOM 707 N ALA A 48 9.704 11.748 10.248 1.00 0.00 N ATOM 708 CA ALA A 48 10.690 11.455 11.281 1.00 0.00 C ATOM 709 C ALA A 48 11.712 10.436 10.791 1.00 0.00 C ATOM 710 O ALA A 48 12.911 10.716 10.743 1.00 0.00 O ATOM 711 CB ALA A 48 10.001 10.951 12.541 1.00 0.00 C ATOM 0 H ALA A 48 8.773 11.377 10.437 1.00 0.00 H new ATOM 0 HA ALA A 48 11.220 12.378 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.749 10.736 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.315 11.713 12.910 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.445 10.042 12.313 1.00 0.00 H new ATOM 717 N THR A 49 11.232 9.250 10.428 1.00 0.00 N ATOM 718 CA THR A 49 12.104 8.188 9.943 1.00 0.00 C ATOM 719 C THR A 49 11.825 7.873 8.478 1.00 0.00 C ATOM 720 O THR A 49 10.740 7.424 8.111 1.00 0.00 O ATOM 721 CB THR A 49 11.938 6.902 10.774 1.00 0.00 C ATOM 722 OG1 THR A 49 12.661 5.827 10.162 1.00 0.00 O ATOM 723 CG2 THR A 49 10.470 6.525 10.900 1.00 0.00 C ATOM 0 H THR A 49 10.243 9.001 10.461 1.00 0.00 H new ATOM 0 HA THR A 49 13.128 8.548 10.045 1.00 0.00 H new ATOM 0 HB THR A 49 12.336 7.086 11.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.552 5.013 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.378 5.614 11.491 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.928 7.333 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.051 6.358 9.908 1.00 0.00 H new ATOM 731 N PRO A 50 12.828 8.113 7.619 1.00 0.00 N ATOM 732 CA PRO A 50 12.714 7.860 6.180 1.00 0.00 C ATOM 733 C PRO A 50 12.660 6.371 5.855 1.00 0.00 C ATOM 734 O PRO A 50 12.638 5.982 4.687 1.00 0.00 O ATOM 735 CB PRO A 50 13.988 8.487 5.608 1.00 0.00 C ATOM 736 CG PRO A 50 14.961 8.462 6.736 1.00 0.00 C ATOM 737 CD PRO A 50 14.149 8.648 7.988 1.00 0.00 C ATOM 0 HA PRO A 50 11.795 8.274 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.358 7.921 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.808 9.505 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.505 7.518 6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.702 9.255 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.580 8.108 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.091 9.697 8.278 1.00 0.00 H new ATOM 745 N ARG A 51 12.640 5.544 6.895 1.00 0.00 N ATOM 746 CA ARG A 51 12.589 4.098 6.719 1.00 0.00 C ATOM 747 C ARG A 51 11.217 3.551 7.102 1.00 0.00 C ATOM 748 O ARG A 51 10.355 4.288 7.580 1.00 0.00 O ATOM 749 CB ARG A 51 13.673 3.422 7.562 1.00 0.00 C ATOM 750 CG ARG A 51 15.061 4.001 7.347 1.00 0.00 C ATOM 751 CD ARG A 51 16.142 3.062 7.859 1.00 0.00 C ATOM 752 NE ARG A 51 17.338 3.784 8.286 1.00 0.00 N ATOM 753 CZ ARG A 51 17.480 4.321 9.492 1.00 0.00 C ATOM 754 NH1 ARG A 51 16.508 4.217 10.387 1.00 0.00 N ATOM 755 NH2 ARG A 51 18.599 4.963 9.806 1.00 0.00 N ATOM 0 H ARG A 51 12.658 5.850 7.868 1.00 0.00 H new ATOM 0 HA ARG A 51 12.767 3.879 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.410 3.512 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.692 2.358 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.216 4.192 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.139 4.961 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.752 2.481 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.407 2.353 7.075 1.00 0.00 H new ATOM 0 HE ARG A 51 18.106 3.881 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.647 3.723 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.621 4.631 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.350 5.044 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.708 5.375 10.733 1.00 0.00 H new ATOM 769 N CYS A 52 11.022 2.254 6.887 1.00 0.00 N ATOM 770 CA CYS A 52 9.755 1.607 7.208 1.00 0.00 C ATOM 771 C CYS A 52 9.556 1.521 8.719 1.00 0.00 C ATOM 772 O CYS A 52 10.468 1.812 9.493 1.00 0.00 O ATOM 773 CB CYS A 52 9.704 0.206 6.595 1.00 0.00 C ATOM 774 SG CYS A 52 8.032 -0.513 6.523 1.00 0.00 S ATOM 0 H CYS A 52 11.726 1.630 6.492 1.00 0.00 H new ATOM 0 HA CYS A 52 8.950 2.210 6.787 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.114 0.247 5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.348 -0.456 7.174 1.00 0.00 H new ATOM 779 N TYR A 53 8.358 1.120 9.130 1.00 0.00 N ATOM 780 CA TYR A 53 8.038 0.997 10.547 1.00 0.00 C ATOM 781 C TYR A 53 8.127 -0.456 11.002 1.00 0.00 C ATOM 782 O TYR A 53 8.311 -0.737 12.187 1.00 0.00 O ATOM 783 CB TYR A 53 6.636 1.545 10.823 1.00 0.00 C ATOM 784 CG TYR A 53 6.112 1.198 12.198 1.00 0.00 C ATOM 785 CD1 TYR A 53 5.430 0.009 12.424 1.00 0.00 C ATOM 786 CD2 TYR A 53 6.299 2.060 13.272 1.00 0.00 C ATOM 787 CE1 TYR A 53 4.948 -0.311 13.679 1.00 0.00 C ATOM 788 CE2 TYR A 53 5.822 1.748 14.530 1.00 0.00 C ATOM 789 CZ TYR A 53 5.147 0.561 14.729 1.00 0.00 C ATOM 790 OH TYR A 53 4.670 0.246 15.980 1.00 0.00 O ATOM 0 H TYR A 53 7.593 0.875 8.502 1.00 0.00 H new ATOM 0 HA TYR A 53 8.767 1.580 11.110 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.650 2.629 10.711 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.948 1.156 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.274 -0.677 11.605 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.827 2.990 13.120 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.418 -1.239 13.837 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.976 2.429 15.354 1.00 0.00 H new ATOM 0 HH TYR A 53 4.895 0.965 16.607 1.00 0.00 H new ATOM 800 N ILE A 54 7.997 -1.376 10.052 1.00 0.00 N ATOM 801 CA ILE A 54 8.065 -2.800 10.353 1.00 0.00 C ATOM 802 C ILE A 54 9.428 -3.375 9.986 1.00 0.00 C ATOM 803 O ILE A 54 10.131 -3.927 10.833 1.00 0.00 O ATOM 804 CB ILE A 54 6.970 -3.586 9.608 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.598 -3.295 10.218 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.269 -5.077 9.649 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.451 -3.907 9.444 1.00 0.00 C ATOM 0 H ILE A 54 7.844 -1.160 9.067 1.00 0.00 H new ATOM 0 HA ILE A 54 7.908 -2.903 11.427 1.00 0.00 H new ATOM 0 HB ILE A 54 6.958 -3.266 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.577 -3.671 11.241 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.455 -2.216 10.272 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.487 -5.620 9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.230 -5.269 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.304 -5.413 10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.509 -3.660 9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.446 -3.512 8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.570 -4.990 9.412 1.00 0.00 H new ATOM 819 N CYS A 55 9.798 -3.242 8.716 1.00 0.00 N ATOM 820 CA CYS A 55 11.078 -3.747 8.235 1.00 0.00 C ATOM 821 C CYS A 55 12.146 -2.657 8.285 1.00 0.00 C ATOM 822 O CYS A 55 13.321 -2.914 8.024 1.00 0.00 O ATOM 823 CB CYS A 55 10.937 -4.273 6.805 1.00 0.00 C ATOM 824 SG CYS A 55 10.619 -2.979 5.564 1.00 0.00 S ATOM 0 H CYS A 55 9.229 -2.788 8.002 1.00 0.00 H new ATOM 0 HA CYS A 55 11.387 -4.564 8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.849 -4.805 6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.124 -4.998 6.775 1.00 0.00 H new ATOM 829 N ASP A 56 11.728 -1.442 8.620 1.00 0.00 N ATOM 830 CA ASP A 56 12.648 -0.314 8.706 1.00 0.00 C ATOM 831 C ASP A 56 13.592 -0.291 7.508 1.00 0.00 C ATOM 832 O ASP A 56 14.806 -0.167 7.666 1.00 0.00 O ATOM 833 CB ASP A 56 13.452 -0.381 10.005 1.00 0.00 C ATOM 834 CG ASP A 56 12.643 0.055 11.210 1.00 0.00 C ATOM 835 OD1 ASP A 56 11.852 -0.764 11.721 1.00 0.00 O ATOM 836 OD2 ASP A 56 12.801 1.217 11.642 1.00 0.00 O ATOM 0 H ASP A 56 10.758 -1.213 8.837 1.00 0.00 H new ATOM 0 HA ASP A 56 12.060 0.604 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.805 -1.401 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.335 0.252 9.915 1.00 0.00 H new ATOM 841 N GLN A 57 13.026 -0.412 6.312 1.00 0.00 N ATOM 842 CA GLN A 57 13.818 -0.407 5.088 1.00 0.00 C ATOM 843 C GLN A 57 13.815 0.976 4.443 1.00 0.00 C ATOM 844 O GLN A 57 12.911 1.784 4.655 1.00 0.00 O ATOM 845 CB GLN A 57 13.279 -1.444 4.102 1.00 0.00 C ATOM 846 CG GLN A 57 13.800 -2.850 4.352 1.00 0.00 C ATOM 847 CD GLN A 57 13.377 -3.829 3.275 1.00 0.00 C ATOM 848 OE1 GLN A 57 12.846 -4.901 3.568 1.00 0.00 O ATOM 849 NE2 GLN A 57 13.610 -3.466 2.019 1.00 0.00 N ATOM 0 H GLN A 57 12.022 -0.515 6.164 1.00 0.00 H new ATOM 0 HA GLN A 57 14.845 -0.664 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.190 -1.454 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.544 -1.142 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.888 -2.825 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.439 -3.201 5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.052 -2.568 1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.347 -4.085 1.252 1.00 0.00 H new ATOM 858 N PRO A 58 14.850 1.255 3.637 1.00 0.00 N ATOM 859 CA PRO A 58 14.989 2.540 2.944 1.00 0.00 C ATOM 860 C PRO A 58 13.953 2.718 1.839 1.00 0.00 C ATOM 861 O PRO A 58 14.228 2.457 0.667 1.00 0.00 O ATOM 862 CB PRO A 58 16.398 2.472 2.350 1.00 0.00 C ATOM 863 CG PRO A 58 16.676 1.016 2.200 1.00 0.00 C ATOM 864 CD PRO A 58 15.963 0.339 3.338 1.00 0.00 C ATOM 0 HA PRO A 58 14.835 3.384 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.448 2.986 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.127 2.949 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.316 0.647 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.747 0.817 2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.604 -0.651 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.617 0.207 4.200 1.00 0.00 H new ATOM 872 N THR A 59 12.760 3.164 2.219 1.00 0.00 N ATOM 873 CA THR A 59 11.683 3.376 1.261 1.00 0.00 C ATOM 874 C THR A 59 12.066 4.429 0.227 1.00 0.00 C ATOM 875 O THR A 59 11.797 4.271 -0.963 1.00 0.00 O ATOM 876 CB THR A 59 10.383 3.813 1.964 1.00 0.00 C ATOM 877 OG1 THR A 59 10.591 5.052 2.651 1.00 0.00 O ATOM 878 CG2 THR A 59 9.918 2.752 2.950 1.00 0.00 C ATOM 0 H THR A 59 12.515 3.385 3.184 1.00 0.00 H new ATOM 0 HA THR A 59 11.514 2.423 0.760 1.00 0.00 H new ATOM 0 HB THR A 59 9.611 3.944 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.317 4.948 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.999 3.083 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.733 1.818 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.689 2.594 3.705 1.00 0.00 H new ATOM 886 N GLY A 60 12.698 5.503 0.689 1.00 0.00 N ATOM 887 CA GLY A 60 13.109 6.566 -0.210 1.00 0.00 C ATOM 888 C GLY A 60 11.951 7.447 -0.634 1.00 0.00 C ATOM 889 O GLY A 60 11.953 8.002 -1.732 1.00 0.00 O ATOM 0 H GLY A 60 12.933 5.656 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.867 7.178 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.573 6.130 -1.095 1.00 0.00 H new ATOM 893 N GLY A 61 10.956 7.575 0.239 1.00 0.00 N ATOM 894 CA GLY A 61 9.798 8.395 -0.071 1.00 0.00 C ATOM 895 C GLY A 61 8.989 7.842 -1.227 1.00 0.00 C ATOM 896 O GLY A 61 8.478 8.599 -2.053 1.00 0.00 O ATOM 0 H GLY A 61 10.931 7.126 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.162 8.468 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.127 9.406 -0.312 1.00 0.00 H new ATOM 900 N ILE A 62 8.874 6.520 -1.288 1.00 0.00 N ATOM 901 CA ILE A 62 8.122 5.868 -2.353 1.00 0.00 C ATOM 902 C ILE A 62 6.896 5.150 -1.800 1.00 0.00 C ATOM 903 O ILE A 62 7.006 4.303 -0.912 1.00 0.00 O ATOM 904 CB ILE A 62 8.993 4.855 -3.119 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.232 5.547 -3.693 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.188 4.195 -4.228 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.272 4.583 -4.219 1.00 0.00 C ATOM 0 H ILE A 62 9.292 5.879 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 62 7.803 6.653 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 62 9.320 4.081 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.925 6.214 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.683 6.169 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.818 3.482 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.334 3.673 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.835 4.956 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 62 12.122 5.142 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.607 3.932 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.838 3.978 -5.015 1.00 0.00 H new ATOM 919 N PHE A 63 5.727 5.492 -2.331 1.00 0.00 N ATOM 920 CA PHE A 63 4.478 4.879 -1.891 1.00 0.00 C ATOM 921 C PHE A 63 3.505 4.731 -3.056 1.00 0.00 C ATOM 922 O PHE A 63 3.217 5.694 -3.765 1.00 0.00 O ATOM 923 CB PHE A 63 3.839 5.716 -0.781 1.00 0.00 C ATOM 924 CG PHE A 63 4.744 5.943 0.396 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.834 5.002 1.409 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.504 7.097 0.489 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.665 5.209 2.494 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.338 7.309 1.571 1.00 0.00 C ATOM 929 CZ PHE A 63 6.419 6.363 2.574 1.00 0.00 C ATOM 0 H PHE A 63 5.618 6.190 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 63 4.706 3.886 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.540 6.681 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.930 5.220 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.248 4.097 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.444 7.840 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.724 4.469 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.925 8.213 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.071 6.526 3.419 1.00 0.00 H new ATOM 939 N ASN A 64 3.002 3.515 -3.248 1.00 0.00 N ATOM 940 CA ASN A 64 2.062 3.239 -4.328 1.00 0.00 C ATOM 941 C ASN A 64 0.656 3.012 -3.781 1.00 0.00 C ATOM 942 O ASN A 64 0.468 2.482 -2.686 1.00 0.00 O ATOM 943 CB ASN A 64 2.515 2.014 -5.126 1.00 0.00 C ATOM 944 CG ASN A 64 4.016 1.984 -5.336 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.702 1.074 -4.869 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.535 2.982 -6.042 1.00 0.00 N ATOM 0 H ASN A 64 3.230 2.706 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 64 2.040 4.106 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.206 1.109 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.015 2.010 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.539 3.015 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.929 3.715 -6.410 1.00 0.00 H new ATOM 953 N PRO A 65 -0.355 3.421 -4.561 1.00 0.00 N ATOM 954 CA PRO A 65 -1.762 3.273 -4.176 1.00 0.00 C ATOM 955 C PRO A 65 -2.215 1.816 -4.185 1.00 0.00 C ATOM 956 O PRO A 65 -2.280 1.184 -5.239 1.00 0.00 O ATOM 957 CB PRO A 65 -2.509 4.072 -5.246 1.00 0.00 C ATOM 958 CG PRO A 65 -1.604 4.060 -6.429 1.00 0.00 C ATOM 959 CD PRO A 65 -0.204 4.061 -5.879 1.00 0.00 C ATOM 0 HA PRO A 65 -1.945 3.621 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.472 3.617 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.710 5.090 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.780 3.179 -7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.776 4.931 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.480 3.505 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.193 5.072 -5.792 1.00 0.00 H new ATOM 967 N ALA A 66 -2.526 1.291 -3.005 1.00 0.00 N ATOM 968 CA ALA A 66 -2.975 -0.090 -2.878 1.00 0.00 C ATOM 969 C ALA A 66 -4.497 -0.175 -2.878 1.00 0.00 C ATOM 970 O ALA A 66 -5.087 -0.943 -2.118 1.00 0.00 O ATOM 971 CB ALA A 66 -2.409 -0.715 -1.612 1.00 0.00 C ATOM 0 H ALA A 66 -2.475 1.801 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.607 -0.646 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.753 -1.746 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.320 -0.698 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.748 -0.150 -0.744 1.00 0.00 H new ATOM 977 N LYS A 67 -5.130 0.620 -3.734 1.00 0.00 N ATOM 978 CA LYS A 67 -6.584 0.636 -3.834 1.00 0.00 C ATOM 979 C LYS A 67 -7.131 -0.773 -4.041 1.00 0.00 C ATOM 980 O LYS A 67 -8.165 -1.135 -3.481 1.00 0.00 O ATOM 981 CB LYS A 67 -7.027 1.540 -4.986 1.00 0.00 C ATOM 982 CG LYS A 67 -6.948 3.022 -4.662 1.00 0.00 C ATOM 983 CD LYS A 67 -7.730 3.855 -5.664 1.00 0.00 C ATOM 984 CE LYS A 67 -9.214 3.878 -5.333 1.00 0.00 C ATOM 985 NZ LYS A 67 -9.481 4.552 -4.032 1.00 0.00 N ATOM 0 H LYS A 67 -4.657 1.263 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.983 1.028 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.406 1.334 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.052 1.291 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.338 3.197 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.905 3.339 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.342 4.874 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.586 3.451 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.755 4.393 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.594 2.857 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.467 4.881 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.320 3.881 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.842 5.366 -3.925 1.00 0.00 H new ATOM 999 N GLU A 68 -6.428 -1.563 -4.846 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.843 -2.933 -5.125 1.00 0.00 C ATOM 1001 C GLU A 68 -6.882 -3.761 -3.844 1.00 0.00 C ATOM 1002 O GLU A 68 -7.918 -4.324 -3.486 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.896 -3.581 -6.136 1.00 0.00 C ATOM 1004 CG GLU A 68 -6.223 -3.243 -7.581 1.00 0.00 C ATOM 1005 CD GLU A 68 -5.081 -3.560 -8.527 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -3.975 -3.018 -8.326 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -5.296 -4.352 -9.469 1.00 0.00 O ATOM 0 H GLU A 68 -5.569 -1.278 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.847 -2.902 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.876 -3.264 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.928 -4.663 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.109 -3.798 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.468 -2.184 -7.656 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.747 -3.832 -3.158 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.649 -4.592 -1.916 1.00 0.00 C ATOM 1016 C LEU A 69 -6.916 -4.436 -1.082 1.00 0.00 C ATOM 1017 O LEU A 69 -7.454 -5.414 -0.564 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.433 -4.133 -1.109 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.392 -4.577 0.353 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -3.964 -6.033 0.458 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.456 -3.685 1.155 1.00 0.00 C ATOM 0 H LEU A 69 -4.881 -3.373 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.531 -5.645 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.534 -4.499 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.392 -3.044 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.395 -4.484 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.941 -6.331 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.673 -6.661 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.971 -6.152 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.439 -4.016 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.450 -3.745 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.807 -2.654 1.108 1.00 0.00 H new ATOM 1033 N MET A 70 -7.388 -3.200 -0.957 1.00 0.00 N ATOM 1034 CA MET A 70 -8.594 -2.917 -0.188 1.00 0.00 C ATOM 1035 C MET A 70 -9.822 -3.525 -0.859 1.00 0.00 C ATOM 1036 O MET A 70 -10.650 -4.156 -0.203 1.00 0.00 O ATOM 1037 CB MET A 70 -8.781 -1.407 -0.029 1.00 0.00 C ATOM 1038 CG MET A 70 -7.776 -0.766 0.915 1.00 0.00 C ATOM 1039 SD MET A 70 -7.755 -1.546 2.541 1.00 0.00 S ATOM 1040 CE MET A 70 -6.140 -2.320 2.524 1.00 0.00 C ATOM 0 H MET A 70 -6.954 -2.379 -1.378 1.00 0.00 H new ATOM 0 HA MET A 70 -8.480 -3.368 0.798 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.701 -0.934 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.788 -1.211 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.781 -0.826 0.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.012 0.292 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.638 -2.135 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.253 -3.394 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.545 -1.902 1.712 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.933 -3.330 -2.169 1.00 0.00 N ATOM 1051 CA ALA A 71 -11.058 -3.860 -2.928 1.00 0.00 C ATOM 1052 C ALA A 71 -11.246 -5.350 -2.661 1.00 0.00 C ATOM 1053 O ALA A 71 -12.358 -5.808 -2.398 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.857 -3.609 -4.415 1.00 0.00 C ATOM 0 H ALA A 71 -9.257 -2.808 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.960 -3.342 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.705 -4.010 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.780 -2.537 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.942 -4.100 -4.746 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.153 -6.102 -2.733 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.197 -7.540 -2.499 1.00 0.00 C ATOM 1062 C LYS A 72 -10.834 -7.853 -1.149 1.00 0.00 C ATOM 1063 O LYS A 72 -11.785 -8.631 -1.066 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.786 -8.130 -2.558 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.232 -8.243 -3.968 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.797 -8.744 -3.965 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.726 -10.227 -3.635 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.402 -10.810 -3.987 1.00 0.00 N ATOM 0 H LYS A 72 -9.225 -5.739 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.807 -7.992 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.117 -7.509 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.795 -9.119 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.854 -8.922 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.278 -7.270 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.346 -8.565 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.215 -8.180 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.916 -10.372 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.511 -10.757 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.393 -11.822 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.232 -10.694 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.655 -10.321 -3.454 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.306 -7.242 -0.095 1.00 0.00 N ATOM 1083 CA LEU A 73 -10.825 -7.454 1.252 1.00 0.00 C ATOM 1084 C LEU A 73 -12.339 -7.277 1.286 1.00 0.00 C ATOM 1085 O LEU A 73 -13.068 -8.174 1.708 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.164 -6.483 2.233 1.00 0.00 C ATOM 1087 CG LEU A 73 -8.648 -6.613 2.387 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -8.047 -5.301 2.866 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.304 -7.742 3.347 1.00 0.00 C ATOM 0 H LEU A 73 -9.519 -6.596 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.591 -8.476 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.391 -5.466 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.622 -6.620 3.213 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.222 -6.850 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.968 -5.412 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.263 -4.516 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.479 -5.034 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.221 -7.820 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.742 -7.535 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.702 -8.681 2.962 1.00 0.00 H new ATOM 1101 N GLN A 74 -12.805 -6.116 0.838 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.233 -5.823 0.816 1.00 0.00 C ATOM 1103 C GLN A 74 -15.016 -6.979 0.204 1.00 0.00 C ATOM 1104 O GLN A 74 -14.516 -7.690 -0.668 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.500 -4.538 0.030 1.00 0.00 C ATOM 1106 CG GLN A 74 -15.977 -4.256 -0.191 1.00 0.00 C ATOM 1107 CD GLN A 74 -16.268 -2.779 -0.371 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -16.485 -2.054 0.601 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -16.274 -2.324 -1.618 1.00 0.00 N ATOM 0 H GLN A 74 -12.214 -5.363 0.485 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.566 -5.687 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.054 -3.697 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.002 -4.604 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.319 -4.800 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.546 -4.634 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.089 -2.960 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.464 -1.338 -1.800 1.00 0.00 H new ATOM 1118 N LYS A 75 -16.248 -7.163 0.668 1.00 0.00 N ATOM 1119 CA LYS A 75 -17.103 -8.233 0.166 1.00 0.00 C ATOM 1120 C LYS A 75 -17.937 -7.753 -1.017 1.00 0.00 C ATOM 1121 O LYS A 75 -18.015 -8.424 -2.046 1.00 0.00 O ATOM 1122 CB LYS A 75 -18.022 -8.743 1.279 1.00 0.00 C ATOM 1123 CG LYS A 75 -17.305 -9.582 2.323 1.00 0.00 C ATOM 1124 CD LYS A 75 -16.481 -8.717 3.262 1.00 0.00 C ATOM 1125 CE LYS A 75 -15.695 -9.563 4.253 1.00 0.00 C ATOM 1126 NZ LYS A 75 -14.612 -10.337 3.584 1.00 0.00 N ATOM 0 H LYS A 75 -16.677 -6.585 1.391 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.463 -9.049 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.492 -7.891 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.822 -9.336 0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.035 -10.152 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.656 -10.304 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.794 -8.101 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.139 -8.037 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.262 -8.918 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.372 -10.250 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.976 -10.737 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.031 -11.107 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.072 -9.707 2.956 1.00 0.00 H new ATOM 1140 N SER A 76 -18.559 -6.589 -0.864 1.00 0.00 N ATOM 1141 CA SER A 76 -19.389 -6.020 -1.919 1.00 0.00 C ATOM 1142 C SER A 76 -19.303 -4.497 -1.917 1.00 0.00 C ATOM 1143 O SER A 76 -18.878 -3.889 -0.936 1.00 0.00 O ATOM 1144 CB SER A 76 -20.844 -6.460 -1.744 1.00 0.00 C ATOM 1145 OG SER A 76 -21.013 -7.820 -2.107 1.00 0.00 O ATOM 0 H SER A 76 -18.504 -6.021 -0.019 1.00 0.00 H new ATOM 0 HA SER A 76 -19.018 -6.386 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.148 -6.317 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.493 -5.834 -2.356 1.00 0.00 H new ATOM 0 HG SER A 76 -21.951 -8.077 -1.985 1.00 0.00 H new ATOM 1151 N GLY A 77 -19.710 -3.886 -3.026 1.00 0.00 N ATOM 1152 CA GLY A 77 -19.671 -2.440 -3.133 1.00 0.00 C ATOM 1153 C GLY A 77 -21.048 -1.813 -3.030 1.00 0.00 C ATOM 1154 O GLY A 77 -22.024 -2.466 -2.659 1.00 0.00 O ATOM 0 H GLY A 77 -20.066 -4.367 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.032 -2.038 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.219 -2.161 -4.085 1.00 0.00 H new ATOM 1158 N PRO A 78 -21.139 -0.517 -3.363 1.00 0.00 N ATOM 1159 CA PRO A 78 -22.402 0.226 -3.314 1.00 0.00 C ATOM 1160 C PRO A 78 -23.381 -0.221 -4.394 1.00 0.00 C ATOM 1161 O PRO A 78 -24.537 0.201 -4.410 1.00 0.00 O ATOM 1162 CB PRO A 78 -21.970 1.675 -3.551 1.00 0.00 C ATOM 1163 CG PRO A 78 -20.693 1.570 -4.311 1.00 0.00 C ATOM 1164 CD PRO A 78 -20.017 0.322 -3.815 1.00 0.00 C ATOM 0 HA PRO A 78 -22.929 0.072 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.723 2.225 -4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -21.828 2.205 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -20.881 1.512 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -20.066 2.446 -4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -19.443 -0.165 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -19.323 0.537 -3.002 1.00 0.00 H new ATOM 1172 N SER A 79 -22.910 -1.079 -5.294 1.00 0.00 N ATOM 1173 CA SER A 79 -23.744 -1.581 -6.380 1.00 0.00 C ATOM 1174 C SER A 79 -24.577 -2.773 -5.919 1.00 0.00 C ATOM 1175 O SER A 79 -24.135 -3.570 -5.090 1.00 0.00 O ATOM 1176 CB SER A 79 -22.876 -1.982 -7.574 1.00 0.00 C ATOM 1177 OG SER A 79 -23.674 -2.294 -8.703 1.00 0.00 O ATOM 0 H SER A 79 -21.956 -1.441 -5.292 1.00 0.00 H new ATOM 0 HA SER A 79 -24.421 -0.783 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 79 -22.193 -1.169 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 79 -22.263 -2.843 -7.309 1.00 0.00 H new ATOM 0 HG SER A 79 -23.096 -2.545 -9.453 1.00 0.00 H new ATOM 1183 N SER A 80 -25.785 -2.889 -6.461 1.00 0.00 N ATOM 1184 CA SER A 80 -26.682 -3.981 -6.103 1.00 0.00 C ATOM 1185 C SER A 80 -26.209 -5.296 -6.717 1.00 0.00 C ATOM 1186 O SER A 80 -25.910 -5.366 -7.908 1.00 0.00 O ATOM 1187 CB SER A 80 -28.107 -3.672 -6.568 1.00 0.00 C ATOM 1188 OG SER A 80 -28.968 -4.774 -6.338 1.00 0.00 O ATOM 0 H SER A 80 -26.165 -2.240 -7.150 1.00 0.00 H new ATOM 0 HA SER A 80 -26.675 -4.083 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 80 -28.483 -2.796 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 80 -28.101 -3.426 -7.630 1.00 0.00 H new ATOM 0 HG SER A 80 -29.873 -4.551 -6.642 1.00 0.00 H new ATOM 1194 N GLY A 81 -26.144 -6.337 -5.892 1.00 0.00 N ATOM 1195 CA GLY A 81 -25.707 -7.636 -6.370 1.00 0.00 C ATOM 1196 C GLY A 81 -25.939 -8.736 -5.353 1.00 0.00 C ATOM 1197 O GLY A 81 -25.160 -8.852 -4.408 1.00 0.00 O ATOM 0 H GLY A 81 -26.386 -6.304 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -26.238 -7.879 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -24.646 -7.591 -6.616 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.145 3.466 10.912 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.377 -2.433 5.250 1.00 0.00 ZN