USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 LYS NZ :NH3+ -177:sc= 0.776 (180deg=-0.387) USER MOD Set 1.2: A 55 SER OG : rot -158:sc= 0.515 USER MOD Set 2.1: A 33 HIS : no HD1:sc= 0.0548 K(o=-1.2,f=-2.3) USER MOD Set 2.2: A 38 SER OG : rot -47:sc= -1.23! USER MOD Set 3.1: A 37 TYR OH : rot 150:sc= 1.01 USER MOD Set 3.2: A 48 LYS NZ :NH3+ 157:sc= 2.3 (180deg=0.582) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.38 K(o=0.38,f=-0.35) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 93:sc= 0.573 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0504) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.056 (180deg=-0.304) USER MOD Single : A 18 HIS : no HE2:sc= -0.479 K(o=-0.48,f=-3.4!) USER MOD Single : A 44 TYR OH : rot -135:sc= 0.663 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -1.1 (180deg=-1.26) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.690 74.287 -27.344 1.00 0.00 N ATOM 2 CA MET A 1 -11.595 75.272 -27.506 1.00 0.00 C ATOM 3 C MET A 1 -10.242 74.589 -27.325 1.00 0.00 C ATOM 4 O MET A 1 -9.452 74.502 -28.267 1.00 0.00 O ATOM 5 CB MET A 1 -11.777 76.428 -26.508 1.00 0.00 C ATOM 6 CG MET A 1 -10.742 77.543 -26.620 1.00 0.00 C ATOM 7 SD MET A 1 -9.117 77.073 -25.987 1.00 0.00 S ATOM 8 CE MET A 1 -8.244 78.636 -26.101 1.00 0.00 C ATOM 0 H1 MET A 1 -13.606 74.763 -27.469 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.590 73.536 -28.056 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.644 73.870 -26.392 1.00 0.00 H new ATOM 0 HA MET A 1 -11.628 75.686 -28.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.769 76.857 -26.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.746 76.023 -25.496 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.646 77.837 -27.665 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.098 78.417 -26.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.222 78.509 -25.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.228 78.969 -27.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.751 79.382 -25.489 1.00 0.00 H new ATOM 20 N GLN A 2 -9.979 74.089 -26.119 1.00 0.00 N ATOM 21 CA GLN A 2 -8.735 73.375 -25.846 1.00 0.00 C ATOM 22 C GLN A 2 -8.806 71.952 -26.388 1.00 0.00 C ATOM 23 O GLN A 2 -9.662 71.163 -25.981 1.00 0.00 O ATOM 24 CB GLN A 2 -8.427 73.349 -24.340 1.00 0.00 C ATOM 25 CG GLN A 2 -7.204 72.501 -23.989 1.00 0.00 C ATOM 26 CD GLN A 2 -6.843 72.537 -22.515 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.701 72.720 -21.649 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.568 72.347 -22.216 1.00 0.00 N ATOM 0 H GLN A 2 -10.608 74.165 -25.319 1.00 0.00 H new ATOM 0 HA GLN A 2 -7.929 73.908 -26.351 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.266 74.369 -23.991 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.295 72.963 -23.805 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.391 71.468 -24.284 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.351 72.849 -24.572 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.886 72.199 -22.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.267 72.349 -21.241 1.00 0.00 H new ATOM 37 N LYS A 3 -7.916 71.641 -27.322 1.00 0.00 N ATOM 38 CA LYS A 3 -7.824 70.304 -27.896 1.00 0.00 C ATOM 39 C LYS A 3 -6.779 69.481 -27.149 1.00 0.00 C ATOM 40 O LYS A 3 -7.049 68.363 -26.707 1.00 0.00 O ATOM 41 CB LYS A 3 -7.456 70.388 -29.384 1.00 0.00 C ATOM 42 CG LYS A 3 -8.471 71.148 -30.232 1.00 0.00 C ATOM 43 CD LYS A 3 -9.831 70.457 -30.239 1.00 0.00 C ATOM 44 CE LYS A 3 -10.827 71.175 -31.143 1.00 0.00 C ATOM 45 NZ LYS A 3 -12.128 70.460 -31.205 1.00 0.00 N ATOM 0 H LYS A 3 -7.241 72.305 -27.702 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.794 69.817 -27.799 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.483 70.870 -29.481 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.351 69.378 -29.779 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.580 72.162 -29.847 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.101 71.233 -31.254 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.713 69.427 -30.574 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.224 70.419 -29.223 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.986 72.189 -30.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.411 71.261 -32.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.779 70.978 -31.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.980 69.501 -31.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.537 70.400 -30.251 1.00 0.00 H new ATOM 59 N ARG A 4 -5.587 70.054 -27.002 1.00 0.00 N ATOM 60 CA ARG A 4 -4.468 69.364 -26.371 1.00 0.00 C ATOM 61 C ARG A 4 -4.367 69.718 -24.887 1.00 0.00 C ATOM 62 O ARG A 4 -4.539 70.875 -24.499 1.00 0.00 O ATOM 63 CB ARG A 4 -3.155 69.720 -27.085 1.00 0.00 C ATOM 64 CG ARG A 4 -2.803 71.206 -27.039 1.00 0.00 C ATOM 65 CD ARG A 4 -1.447 71.490 -27.674 1.00 0.00 C ATOM 66 NE ARG A 4 -1.396 71.078 -29.081 1.00 0.00 N ATOM 67 CZ ARG A 4 -0.296 70.627 -29.688 1.00 0.00 C ATOM 68 NH1 ARG A 4 0.832 70.477 -29.008 1.00 0.00 N ATOM 69 NH2 ARG A 4 -0.326 70.306 -30.974 1.00 0.00 N ATOM 0 H ARG A 4 -5.372 71.001 -27.314 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.644 68.291 -26.455 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.342 69.151 -26.633 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.224 69.406 -28.127 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.573 71.777 -27.557 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.797 71.546 -26.003 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.230 72.556 -27.601 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.670 70.968 -27.116 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.254 71.140 -29.629 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.863 70.707 -28.015 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.669 70.132 -29.478 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.192 70.403 -31.504 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.517 69.962 -31.434 1.00 0.00 H new ATOM 83 N GLU A 5 -4.097 68.709 -24.065 1.00 0.00 N ATOM 84 CA GLU A 5 -3.844 68.903 -22.640 1.00 0.00 C ATOM 85 C GLU A 5 -2.713 67.975 -22.195 1.00 0.00 C ATOM 86 O GLU A 5 -1.814 68.386 -21.456 1.00 0.00 O ATOM 87 CB GLU A 5 -5.122 68.664 -21.818 1.00 0.00 C ATOM 88 CG GLU A 5 -5.709 67.263 -21.954 1.00 0.00 C ATOM 89 CD GLU A 5 -7.037 67.110 -21.228 1.00 0.00 C ATOM 90 OE1 GLU A 5 -7.116 67.470 -20.039 1.00 0.00 O ATOM 91 OE2 GLU A 5 -8.014 66.637 -21.852 1.00 0.00 O ATOM 0 H GLU A 5 -4.047 67.736 -24.366 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.539 69.935 -22.467 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.903 68.852 -20.767 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.875 69.391 -22.122 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.848 67.033 -23.010 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.999 66.536 -21.560 1.00 0.00 H new ATOM 98 N LEU A 6 -2.761 66.732 -22.683 1.00 0.00 N ATOM 99 CA LEU A 6 -1.706 65.740 -22.460 1.00 0.00 C ATOM 100 C LEU A 6 -1.443 65.490 -20.972 1.00 0.00 C ATOM 101 O LEU A 6 -0.703 66.238 -20.324 1.00 0.00 O ATOM 102 CB LEU A 6 -0.393 66.145 -23.163 1.00 0.00 C ATOM 103 CG LEU A 6 -0.378 66.020 -24.702 1.00 0.00 C ATOM 104 CD1 LEU A 6 -1.343 67.008 -25.351 1.00 0.00 C ATOM 105 CD2 LEU A 6 1.039 66.220 -25.241 1.00 0.00 C ATOM 0 H LEU A 6 -3.537 66.384 -23.247 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.069 64.809 -22.896 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.169 67.179 -22.901 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.414 65.532 -22.761 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.711 65.014 -24.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.307 66.893 -26.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.356 66.812 -24.998 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.056 68.025 -25.084 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.031 66.129 -26.327 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.398 67.211 -24.963 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.699 65.463 -24.818 1.00 0.00 H new ATOM 117 N TYR A 7 -2.061 64.441 -20.436 1.00 0.00 N ATOM 118 CA TYR A 7 -1.731 63.958 -19.099 1.00 0.00 C ATOM 119 C TYR A 7 -0.406 63.207 -19.163 1.00 0.00 C ATOM 120 O TYR A 7 -0.352 62.070 -19.645 1.00 0.00 O ATOM 121 CB TYR A 7 -2.829 63.037 -18.553 1.00 0.00 C ATOM 122 CG TYR A 7 -4.188 63.698 -18.439 1.00 0.00 C ATOM 123 CD1 TYR A 7 -4.441 64.650 -17.457 1.00 0.00 C ATOM 124 CD2 TYR A 7 -5.220 63.368 -19.309 1.00 0.00 C ATOM 125 CE1 TYR A 7 -5.679 65.250 -17.346 1.00 0.00 C ATOM 126 CE2 TYR A 7 -6.458 63.966 -19.206 1.00 0.00 C ATOM 127 CZ TYR A 7 -6.683 64.906 -18.223 1.00 0.00 C ATOM 128 OH TYR A 7 -7.925 65.497 -18.116 1.00 0.00 O ATOM 0 H TYR A 7 -2.793 63.909 -20.907 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.649 64.811 -18.425 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.914 62.165 -19.202 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.529 62.674 -17.570 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.655 64.925 -16.769 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.049 62.630 -20.079 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.859 65.985 -16.576 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.248 63.699 -19.892 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.963 66.286 -18.696 1.00 0.00 H new ATOM 138 N GLU A 8 0.656 63.855 -18.713 1.00 0.00 N ATOM 139 CA GLU A 8 1.997 63.299 -18.810 1.00 0.00 C ATOM 140 C GLU A 8 2.245 62.322 -17.665 1.00 0.00 C ATOM 141 O GLU A 8 2.241 62.709 -16.492 1.00 0.00 O ATOM 142 CB GLU A 8 3.032 64.430 -18.802 1.00 0.00 C ATOM 143 CG GLU A 8 2.756 65.504 -19.851 1.00 0.00 C ATOM 144 CD GLU A 8 3.819 66.590 -19.882 1.00 0.00 C ATOM 145 OE1 GLU A 8 3.896 67.376 -18.916 1.00 0.00 O ATOM 146 OE2 GLU A 8 4.588 66.651 -20.866 1.00 0.00 O ATOM 0 H GLU A 8 0.615 64.774 -18.273 1.00 0.00 H new ATOM 0 HA GLU A 8 2.093 62.752 -19.748 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.049 64.891 -17.815 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.022 64.009 -18.974 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.693 65.037 -20.834 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.786 65.958 -19.651 1.00 0.00 H new ATOM 153 N ILE A 9 2.439 61.052 -18.008 1.00 0.00 N ATOM 154 CA ILE A 9 2.636 60.004 -17.012 1.00 0.00 C ATOM 155 C ILE A 9 4.023 60.096 -16.386 1.00 0.00 C ATOM 156 O ILE A 9 4.943 60.683 -16.967 1.00 0.00 O ATOM 157 CB ILE A 9 2.440 58.590 -17.612 1.00 0.00 C ATOM 158 CG1 ILE A 9 3.433 58.341 -18.765 1.00 0.00 C ATOM 159 CG2 ILE A 9 0.999 58.411 -18.082 1.00 0.00 C ATOM 160 CD1 ILE A 9 3.348 56.950 -19.366 1.00 0.00 C ATOM 0 H ILE A 9 2.464 60.723 -18.973 1.00 0.00 H new ATOM 0 HA ILE A 9 1.880 60.161 -16.243 1.00 0.00 H new ATOM 0 HB ILE A 9 2.642 57.853 -16.835 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.254 59.076 -19.550 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.447 58.506 -18.399 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.875 57.413 -18.502 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.322 58.536 -17.237 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.770 59.156 -18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.078 56.856 -20.170 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.558 56.208 -18.596 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.347 56.786 -19.764 1.00 0.00 H new ATOM 172 N ALA A 10 4.159 59.513 -15.200 1.00 0.00 N ATOM 173 CA ALA A 10 5.416 59.519 -14.467 1.00 0.00 C ATOM 174 C ALA A 10 5.411 58.422 -13.411 1.00 0.00 C ATOM 175 O ALA A 10 4.864 58.599 -12.319 1.00 0.00 O ATOM 176 CB ALA A 10 5.652 60.881 -13.824 1.00 0.00 C ATOM 0 H ALA A 10 3.402 59.024 -14.722 1.00 0.00 H new ATOM 0 HA ALA A 10 6.230 59.326 -15.166 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.596 60.868 -13.280 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.690 61.647 -14.598 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.838 61.103 -13.133 1.00 0.00 H new ATOM 182 N ASP A 11 5.986 57.276 -13.750 1.00 0.00 N ATOM 183 CA ASP A 11 6.049 56.148 -12.827 1.00 0.00 C ATOM 184 C ASP A 11 7.329 55.356 -13.042 1.00 0.00 C ATOM 185 O ASP A 11 7.923 55.392 -14.122 1.00 0.00 O ATOM 186 CB ASP A 11 4.832 55.225 -13.000 1.00 0.00 C ATOM 187 CG ASP A 11 4.894 54.392 -14.275 1.00 0.00 C ATOM 188 OD1 ASP A 11 4.660 54.948 -15.369 1.00 0.00 O ATOM 189 OD2 ASP A 11 5.173 53.174 -14.189 1.00 0.00 O ATOM 0 H ASP A 11 6.416 57.102 -14.658 1.00 0.00 H new ATOM 0 HA ASP A 11 6.041 56.546 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.763 54.559 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.924 55.828 -13.010 1.00 0.00 H new ATOM 194 N GLY A 12 7.755 54.659 -12.001 1.00 0.00 N ATOM 195 CA GLY A 12 8.927 53.809 -12.084 1.00 0.00 C ATOM 196 C GLY A 12 8.936 52.791 -10.969 1.00 0.00 C ATOM 197 O GLY A 12 9.976 52.523 -10.363 1.00 0.00 O ATOM 0 H GLY A 12 7.303 54.667 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.944 53.299 -13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.828 54.420 -12.031 1.00 0.00 H new ATOM 201 N LYS A 13 7.761 52.244 -10.686 1.00 0.00 N ATOM 202 CA LYS A 13 7.591 51.272 -9.613 1.00 0.00 C ATOM 203 C LYS A 13 6.339 50.437 -9.858 1.00 0.00 C ATOM 204 O LYS A 13 5.529 50.764 -10.732 1.00 0.00 O ATOM 205 CB LYS A 13 7.497 51.976 -8.247 1.00 0.00 C ATOM 206 CG LYS A 13 6.341 52.972 -8.129 1.00 0.00 C ATOM 207 CD LYS A 13 6.290 53.613 -6.742 1.00 0.00 C ATOM 208 CE LYS A 13 5.209 54.685 -6.644 1.00 0.00 C ATOM 209 NZ LYS A 13 3.846 54.142 -6.890 1.00 0.00 N ATOM 0 H LYS A 13 6.902 52.460 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 13 8.462 50.616 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.391 51.220 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.433 52.500 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.451 53.749 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.399 52.462 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.105 52.842 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.260 54.054 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.242 55.141 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.418 55.475 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.139 54.884 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.773 53.822 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.672 53.339 -6.252 1.00 0.00 H new ATOM 223 N LEU A 14 6.190 49.360 -9.092 1.00 0.00 N ATOM 224 CA LEU A 14 5.009 48.502 -9.183 1.00 0.00 C ATOM 225 C LEU A 14 3.743 49.284 -8.822 1.00 0.00 C ATOM 226 O LEU A 14 3.788 50.222 -8.025 1.00 0.00 O ATOM 227 CB LEU A 14 5.174 47.251 -8.289 1.00 0.00 C ATOM 228 CG LEU A 14 5.805 47.470 -6.893 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.898 48.293 -5.977 1.00 0.00 C ATOM 230 CD2 LEU A 14 6.146 46.127 -6.246 1.00 0.00 C ATOM 0 H LEU A 14 6.874 49.059 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 14 4.906 48.163 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.191 46.800 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.784 46.526 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 14 6.724 48.039 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.380 48.422 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.718 49.270 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.949 47.774 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.589 46.298 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.237 45.535 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.855 45.589 -6.876 1.00 0.00 H new ATOM 242 N VAL A 15 2.622 48.907 -9.424 1.00 0.00 N ATOM 243 CA VAL A 15 1.349 49.583 -9.174 1.00 0.00 C ATOM 244 C VAL A 15 0.505 48.800 -8.172 1.00 0.00 C ATOM 245 O VAL A 15 -0.320 49.379 -7.461 1.00 0.00 O ATOM 246 CB VAL A 15 0.540 49.792 -10.483 1.00 0.00 C ATOM 247 CG1 VAL A 15 1.316 50.667 -11.464 1.00 0.00 C ATOM 248 CG2 VAL A 15 0.173 48.455 -11.125 1.00 0.00 C ATOM 0 H VAL A 15 2.565 48.136 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 15 1.586 50.562 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.387 50.305 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.731 50.800 -12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.509 51.639 -11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.263 50.187 -11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.393 48.634 -12.039 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.083 47.904 -11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.433 47.872 -10.431 1.00 0.00 H new ATOM 258 N ARG A 16 0.735 47.484 -8.119 1.00 0.00 N ATOM 259 CA ARG A 16 -0.003 46.580 -7.228 1.00 0.00 C ATOM 260 C ARG A 16 -1.486 46.510 -7.602 1.00 0.00 C ATOM 261 O ARG A 16 -2.009 47.363 -8.326 1.00 0.00 O ATOM 262 CB ARG A 16 0.147 47.008 -5.754 1.00 0.00 C ATOM 263 CG ARG A 16 1.553 46.816 -5.188 1.00 0.00 C ATOM 264 CD ARG A 16 1.671 47.364 -3.767 1.00 0.00 C ATOM 265 NE ARG A 16 2.955 47.024 -3.148 1.00 0.00 N ATOM 266 CZ ARG A 16 3.688 47.865 -2.413 1.00 0.00 C ATOM 267 NH1 ARG A 16 3.340 49.142 -2.298 1.00 0.00 N ATOM 268 NH2 ARG A 16 4.789 47.433 -1.817 1.00 0.00 N ATOM 0 H ARG A 16 1.437 47.015 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 16 0.429 45.587 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.130 48.058 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.558 46.439 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.804 45.755 -5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.276 47.317 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.554 48.448 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.859 46.967 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 16 3.314 46.080 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.507 49.488 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.906 49.776 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.076 46.460 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.350 48.074 -1.255 1.00 0.00 H new ATOM 282 N LYS A 17 -2.160 45.471 -7.118 1.00 0.00 N ATOM 283 CA LYS A 17 -3.596 45.336 -7.309 1.00 0.00 C ATOM 284 C LYS A 17 -4.320 45.975 -6.129 1.00 0.00 C ATOM 285 O LYS A 17 -4.466 45.370 -5.065 1.00 0.00 O ATOM 286 CB LYS A 17 -3.990 43.863 -7.473 1.00 0.00 C ATOM 287 CG LYS A 17 -3.244 43.161 -8.610 1.00 0.00 C ATOM 288 CD LYS A 17 -3.815 41.779 -8.911 1.00 0.00 C ATOM 289 CE LYS A 17 -5.231 41.860 -9.470 1.00 0.00 C ATOM 290 NZ LYS A 17 -5.290 42.639 -10.739 1.00 0.00 N ATOM 0 H LYS A 17 -1.732 44.710 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.889 45.850 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.795 43.336 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.062 43.799 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.294 43.776 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.190 43.067 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.171 41.268 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.818 41.181 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.609 40.853 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.886 42.322 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.198 42.461 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.203 43.654 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.510 42.347 -11.362 1.00 0.00 H new ATOM 304 N HIS A 18 -4.748 47.214 -6.332 1.00 0.00 N ATOM 305 CA HIS A 18 -5.320 48.030 -5.265 1.00 0.00 C ATOM 306 C HIS A 18 -6.736 47.579 -4.901 1.00 0.00 C ATOM 307 O HIS A 18 -7.723 48.098 -5.429 1.00 0.00 O ATOM 308 CB HIS A 18 -5.309 49.522 -5.653 1.00 0.00 C ATOM 309 CG HIS A 18 -5.846 49.814 -7.027 1.00 0.00 C ATOM 310 ND1 HIS A 18 -7.191 49.823 -7.335 1.00 0.00 N ATOM 311 CD2 HIS A 18 -5.201 50.119 -8.180 1.00 0.00 C ATOM 312 CE1 HIS A 18 -7.346 50.120 -8.612 1.00 0.00 C ATOM 313 NE2 HIS A 18 -6.155 50.304 -9.148 1.00 0.00 N ATOM 0 H HIS A 18 -4.709 47.682 -7.237 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.696 47.895 -4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.895 50.079 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.286 49.893 -5.590 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -7.947 49.630 -6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.132 50.201 -8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.290 50.199 -9.131 1.00 0.00 H new ATOM 322 N ARG A 19 -6.829 46.593 -4.016 1.00 0.00 N ATOM 323 CA ARG A 19 -8.119 46.167 -3.483 1.00 0.00 C ATOM 324 C ARG A 19 -8.572 47.154 -2.415 1.00 0.00 C ATOM 325 O ARG A 19 -8.063 47.135 -1.295 1.00 0.00 O ATOM 326 CB ARG A 19 -8.047 44.762 -2.867 1.00 0.00 C ATOM 327 CG ARG A 19 -7.445 43.690 -3.770 1.00 0.00 C ATOM 328 CD ARG A 19 -7.688 42.291 -3.203 1.00 0.00 C ATOM 329 NE ARG A 19 -7.447 42.236 -1.757 1.00 0.00 N ATOM 330 CZ ARG A 19 -8.080 41.409 -0.917 1.00 0.00 C ATOM 331 NH1 ARG A 19 -8.937 40.503 -1.374 1.00 0.00 N ATOM 332 NH2 ARG A 19 -7.852 41.489 0.385 1.00 0.00 N ATOM 0 H ARG A 19 -6.029 46.074 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.829 46.139 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.460 44.814 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.054 44.454 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.881 43.763 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.374 43.861 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.714 41.988 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.036 41.577 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.751 42.870 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.119 40.432 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.413 39.878 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.195 42.180 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.334 40.859 1.027 1.00 0.00 H new ATOM 346 N PHE A 20 -9.497 48.035 -2.766 1.00 0.00 N ATOM 347 CA PHE A 20 -10.030 48.992 -1.807 1.00 0.00 C ATOM 348 C PHE A 20 -11.180 48.365 -1.026 1.00 0.00 C ATOM 349 O PHE A 20 -11.811 47.420 -1.495 1.00 0.00 O ATOM 350 CB PHE A 20 -10.493 50.271 -2.515 1.00 0.00 C ATOM 351 CG PHE A 20 -9.377 51.020 -3.210 1.00 0.00 C ATOM 352 CD1 PHE A 20 -8.283 51.481 -2.492 1.00 0.00 C ATOM 353 CD2 PHE A 20 -9.426 51.269 -4.573 1.00 0.00 C ATOM 354 CE1 PHE A 20 -7.265 52.175 -3.119 1.00 0.00 C ATOM 355 CE2 PHE A 20 -8.410 51.961 -5.205 1.00 0.00 C ATOM 356 CZ PHE A 20 -7.329 52.414 -4.477 1.00 0.00 C ATOM 0 H PHE A 20 -9.893 48.107 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.238 49.261 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.257 50.013 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.961 50.931 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.226 51.295 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.269 50.918 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.420 52.530 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.462 52.147 -6.268 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.534 52.955 -4.969 1.00 0.00 H new ATOM 366 N CYS A 21 -11.449 48.893 0.165 1.00 0.00 N ATOM 367 CA CYS A 21 -12.520 48.371 1.013 1.00 0.00 C ATOM 368 C CYS A 21 -13.854 48.541 0.306 1.00 0.00 C ATOM 369 O CYS A 21 -14.299 49.667 0.128 1.00 0.00 O ATOM 370 CB CYS A 21 -12.531 49.114 2.342 1.00 0.00 C ATOM 371 SG CYS A 21 -13.816 48.585 3.522 1.00 0.00 S ATOM 0 H CYS A 21 -10.941 49.682 0.566 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.351 47.311 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.556 48.994 2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.660 50.178 2.143 1.00 0.00 H new ATOM 376 N PRO A 22 -14.523 47.429 -0.057 1.00 0.00 N ATOM 377 CA PRO A 22 -15.638 47.434 -1.015 1.00 0.00 C ATOM 378 C PRO A 22 -16.553 48.654 -0.892 1.00 0.00 C ATOM 379 O PRO A 22 -16.763 49.388 -1.861 1.00 0.00 O ATOM 380 CB PRO A 22 -16.403 46.159 -0.663 1.00 0.00 C ATOM 381 CG PRO A 22 -15.381 45.225 -0.107 1.00 0.00 C ATOM 382 CD PRO A 22 -14.274 46.072 0.479 1.00 0.00 C ATOM 0 HA PRO A 22 -15.275 47.477 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.189 46.361 0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.886 45.735 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.821 44.584 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.993 44.570 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.303 46.064 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.292 45.702 0.183 1.00 0.00 H new ATOM 390 N ARG A 23 -17.071 48.881 0.307 1.00 0.00 N ATOM 391 CA ARG A 23 -18.066 49.923 0.517 1.00 0.00 C ATOM 392 C ARG A 23 -17.435 51.311 0.697 1.00 0.00 C ATOM 393 O ARG A 23 -18.013 52.314 0.283 1.00 0.00 O ATOM 394 CB ARG A 23 -18.964 49.556 1.705 1.00 0.00 C ATOM 395 CG ARG A 23 -19.887 48.374 1.406 1.00 0.00 C ATOM 396 CD ARG A 23 -20.814 48.041 2.571 1.00 0.00 C ATOM 397 NE ARG A 23 -20.129 47.306 3.637 1.00 0.00 N ATOM 398 CZ ARG A 23 -20.433 47.407 4.931 1.00 0.00 C ATOM 399 NH1 ARG A 23 -21.348 48.282 5.334 1.00 0.00 N ATOM 400 NH2 ARG A 23 -19.814 46.642 5.823 1.00 0.00 N ATOM 0 H ARG A 23 -16.820 48.359 1.147 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.678 49.984 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.340 49.315 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.567 50.421 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.486 48.600 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.283 47.499 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.228 48.964 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.653 47.449 2.206 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.371 46.677 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.819 48.878 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -21.580 48.358 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.104 45.976 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.048 46.721 6.813 1.00 0.00 H new ATOM 414 N CYS A 24 -16.252 51.377 1.304 1.00 0.00 N ATOM 415 CA CYS A 24 -15.566 52.667 1.494 1.00 0.00 C ATOM 416 C CYS A 24 -14.655 52.984 0.306 1.00 0.00 C ATOM 417 O CYS A 24 -14.099 54.079 0.223 1.00 0.00 O ATOM 418 CB CYS A 24 -14.699 52.667 2.758 1.00 0.00 C ATOM 419 SG CYS A 24 -15.460 51.962 4.244 1.00 0.00 S ATOM 0 H CYS A 24 -15.749 50.569 1.670 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.349 53.420 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.783 52.115 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.409 53.695 2.975 1.00 0.00 H new ATOM 424 N GLY A 25 -14.523 52.014 -0.601 1.00 0.00 N ATOM 425 CA GLY A 25 -13.485 52.032 -1.626 1.00 0.00 C ATOM 426 C GLY A 25 -13.258 53.387 -2.272 1.00 0.00 C ATOM 427 O GLY A 25 -12.185 53.972 -2.111 1.00 0.00 O ATOM 0 H GLY A 25 -15.132 51.197 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.549 51.694 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.747 51.313 -2.402 1.00 0.00 H new ATOM 431 N PRO A 26 -14.247 53.918 -3.005 1.00 0.00 N ATOM 432 CA PRO A 26 -14.121 55.222 -3.666 1.00 0.00 C ATOM 433 C PRO A 26 -13.977 56.365 -2.659 1.00 0.00 C ATOM 434 O PRO A 26 -14.947 57.058 -2.335 1.00 0.00 O ATOM 435 CB PRO A 26 -15.425 55.348 -4.468 1.00 0.00 C ATOM 436 CG PRO A 26 -16.388 54.448 -3.765 1.00 0.00 C ATOM 437 CD PRO A 26 -15.566 53.299 -3.248 1.00 0.00 C ATOM 0 HA PRO A 26 -13.229 55.285 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.783 56.377 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.283 55.044 -5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.888 54.970 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.166 54.099 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.989 52.878 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.504 52.488 -3.974 1.00 0.00 H new ATOM 445 N GLY A 27 -12.766 56.538 -2.137 1.00 0.00 N ATOM 446 CA GLY A 27 -12.501 57.612 -1.195 1.00 0.00 C ATOM 447 C GLY A 27 -11.768 57.147 0.049 1.00 0.00 C ATOM 448 O GLY A 27 -11.183 57.964 0.761 1.00 0.00 O ATOM 0 H GLY A 27 -11.960 55.951 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.911 58.383 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.445 58.071 -0.902 1.00 0.00 H new ATOM 452 N VAL A 28 -11.810 55.845 0.328 1.00 0.00 N ATOM 453 CA VAL A 28 -11.113 55.282 1.489 1.00 0.00 C ATOM 454 C VAL A 28 -10.339 54.029 1.090 1.00 0.00 C ATOM 455 O VAL A 28 -10.929 52.965 0.866 1.00 0.00 O ATOM 456 CB VAL A 28 -12.086 54.917 2.642 1.00 0.00 C ATOM 457 CG1 VAL A 28 -11.316 54.444 3.879 1.00 0.00 C ATOM 458 CG2 VAL A 28 -13.007 56.088 2.989 1.00 0.00 C ATOM 0 H VAL A 28 -12.318 55.159 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.430 56.054 1.845 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.713 54.095 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.020 54.194 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.727 53.562 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.652 55.238 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -13.675 55.798 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.407 56.943 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.596 56.359 2.113 1.00 0.00 H new ATOM 468 N PHE A 29 -9.023 54.166 0.998 1.00 0.00 N ATOM 469 CA PHE A 29 -8.146 53.055 0.649 1.00 0.00 C ATOM 470 C PHE A 29 -8.212 51.941 1.698 1.00 0.00 C ATOM 471 O PHE A 29 -8.655 52.153 2.833 1.00 0.00 O ATOM 472 CB PHE A 29 -6.697 53.552 0.495 1.00 0.00 C ATOM 473 CG PHE A 29 -6.063 54.019 1.787 1.00 0.00 C ATOM 474 CD1 PHE A 29 -6.434 55.227 2.367 1.00 0.00 C ATOM 475 CD2 PHE A 29 -5.102 53.245 2.424 1.00 0.00 C ATOM 476 CE1 PHE A 29 -5.858 55.649 3.549 1.00 0.00 C ATOM 477 CE2 PHE A 29 -4.526 53.666 3.607 1.00 0.00 C ATOM 478 CZ PHE A 29 -4.904 54.869 4.171 1.00 0.00 C ATOM 0 H PHE A 29 -8.534 55.046 1.162 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.488 52.643 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.091 52.749 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.680 54.372 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.181 55.842 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.801 52.303 1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.154 56.591 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.779 53.054 4.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.454 55.198 5.096 1.00 0.00 H new ATOM 488 N LEU A 30 -7.786 50.751 1.300 1.00 0.00 N ATOM 489 CA LEU A 30 -7.665 49.622 2.208 1.00 0.00 C ATOM 490 C LEU A 30 -6.188 49.413 2.527 1.00 0.00 C ATOM 491 O LEU A 30 -5.434 48.903 1.697 1.00 0.00 O ATOM 492 CB LEU A 30 -8.270 48.362 1.568 1.00 0.00 C ATOM 493 CG LEU A 30 -8.318 47.112 2.464 1.00 0.00 C ATOM 494 CD1 LEU A 30 -9.219 47.341 3.673 1.00 0.00 C ATOM 495 CD2 LEU A 30 -8.791 45.898 1.666 1.00 0.00 C ATOM 0 H LEU A 30 -7.515 50.542 0.339 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.210 49.822 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.285 48.593 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.697 48.122 0.672 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.309 46.917 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.236 46.442 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.836 48.177 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.230 47.568 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.819 45.024 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.789 46.088 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.103 45.715 0.840 1.00 0.00 H new ATOM 507 N ALA A 31 -5.775 49.848 3.714 1.00 0.00 N ATOM 508 CA ALA A 31 -4.372 49.798 4.111 1.00 0.00 C ATOM 509 C ALA A 31 -3.858 48.361 4.126 1.00 0.00 C ATOM 510 O ALA A 31 -4.096 47.612 5.081 1.00 0.00 O ATOM 511 CB ALA A 31 -4.180 50.458 5.471 1.00 0.00 C ATOM 0 H ALA A 31 -6.396 50.241 4.421 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.789 50.352 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.128 50.412 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.496 51.500 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.778 49.935 6.217 1.00 0.00 H new ATOM 517 N GLU A 32 -3.183 47.977 3.048 1.00 0.00 N ATOM 518 CA GLU A 32 -2.614 46.644 2.922 1.00 0.00 C ATOM 519 C GLU A 32 -1.323 46.530 3.726 1.00 0.00 C ATOM 520 O GLU A 32 -0.343 47.230 3.458 1.00 0.00 O ATOM 521 CB GLU A 32 -2.344 46.308 1.447 1.00 0.00 C ATOM 522 CG GLU A 32 -1.574 45.004 1.250 1.00 0.00 C ATOM 523 CD GLU A 32 -1.300 44.683 -0.211 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.579 45.460 -0.869 1.00 0.00 O ATOM 525 OE2 GLU A 32 -1.776 43.631 -0.690 1.00 0.00 O ATOM 0 H GLU A 32 -3.016 48.579 2.242 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.337 45.931 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.295 46.243 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.782 47.125 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.627 45.065 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.139 44.185 1.695 1.00 0.00 H new ATOM 532 N HIS A 33 -1.340 45.664 4.725 1.00 0.00 N ATOM 533 CA HIS A 33 -0.142 45.324 5.481 1.00 0.00 C ATOM 534 C HIS A 33 0.245 43.888 5.150 1.00 0.00 C ATOM 535 O HIS A 33 -0.618 43.086 4.781 1.00 0.00 O ATOM 536 CB HIS A 33 -0.383 45.469 6.992 1.00 0.00 C ATOM 537 CG HIS A 33 -0.897 46.816 7.405 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.077 47.866 7.749 1.00 0.00 N ATOM 539 CD2 HIS A 33 -2.163 47.271 7.548 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.816 48.904 8.087 1.00 0.00 C ATOM 541 NE2 HIS A 33 -2.090 48.572 7.975 1.00 0.00 N ATOM 0 H HIS A 33 -2.181 45.177 5.036 1.00 0.00 H new ATOM 0 HA HIS A 33 0.663 46.006 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.095 44.707 7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.551 45.272 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.067 46.711 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.442 49.867 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.885 49.180 8.173 1.00 0.00 H new ATOM 550 N ALA A 34 1.524 43.561 5.293 1.00 0.00 N ATOM 551 CA ALA A 34 2.026 42.228 4.963 1.00 0.00 C ATOM 552 C ALA A 34 1.299 41.156 5.773 1.00 0.00 C ATOM 553 O ALA A 34 1.192 40.003 5.351 1.00 0.00 O ATOM 554 CB ALA A 34 3.528 42.156 5.212 1.00 0.00 C ATOM 0 H ALA A 34 2.238 44.203 5.637 1.00 0.00 H new ATOM 0 HA ALA A 34 1.835 42.041 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.891 41.159 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.036 42.893 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.733 42.365 6.262 1.00 0.00 H new ATOM 560 N ASP A 35 0.800 41.557 6.938 1.00 0.00 N ATOM 561 CA ASP A 35 0.072 40.656 7.829 1.00 0.00 C ATOM 562 C ASP A 35 -1.404 40.573 7.437 1.00 0.00 C ATOM 563 O ASP A 35 -2.007 39.496 7.466 1.00 0.00 O ATOM 564 CB ASP A 35 0.189 41.141 9.282 1.00 0.00 C ATOM 565 CG ASP A 35 1.632 41.290 9.740 1.00 0.00 C ATOM 566 OD1 ASP A 35 2.218 40.296 10.218 1.00 0.00 O ATOM 567 OD2 ASP A 35 2.182 42.409 9.628 1.00 0.00 O ATOM 0 H ASP A 35 0.887 42.510 7.291 1.00 0.00 H new ATOM 0 HA ASP A 35 0.514 39.664 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.320 42.100 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.325 40.438 9.937 1.00 0.00 H new ATOM 572 N ARG A 36 -1.979 41.715 7.049 1.00 0.00 N ATOM 573 CA ARG A 36 -3.417 41.803 6.790 1.00 0.00 C ATOM 574 C ARG A 36 -3.799 43.170 6.221 1.00 0.00 C ATOM 575 O ARG A 36 -3.004 44.106 6.233 1.00 0.00 O ATOM 576 CB ARG A 36 -4.210 41.543 8.086 1.00 0.00 C ATOM 577 CG ARG A 36 -3.877 42.509 9.220 1.00 0.00 C ATOM 578 CD ARG A 36 -4.660 42.192 10.491 1.00 0.00 C ATOM 579 NE ARG A 36 -4.320 43.106 11.581 1.00 0.00 N ATOM 580 CZ ARG A 36 -4.984 43.188 12.735 1.00 0.00 C ATOM 581 NH1 ARG A 36 -6.059 42.440 12.952 1.00 0.00 N ATOM 582 NH2 ARG A 36 -4.573 44.029 13.669 1.00 0.00 N ATOM 0 H ARG A 36 -1.472 42.588 6.908 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.667 41.042 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.276 41.609 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.015 40.524 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.809 42.464 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.097 43.529 8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.728 42.254 10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.454 41.167 10.799 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.519 43.724 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.385 41.794 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.559 42.511 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.752 44.611 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.077 44.095 14.553 1.00 0.00 H new ATOM 596 N TYR A 37 -5.033 43.269 5.743 1.00 0.00 N ATOM 597 CA TYR A 37 -5.580 44.508 5.202 1.00 0.00 C ATOM 598 C TYR A 37 -6.406 45.191 6.283 1.00 0.00 C ATOM 599 O TYR A 37 -7.061 44.515 7.078 1.00 0.00 O ATOM 600 CB TYR A 37 -6.468 44.207 3.983 1.00 0.00 C ATOM 601 CG TYR A 37 -5.825 43.282 2.962 1.00 0.00 C ATOM 602 CD1 TYR A 37 -5.909 41.898 3.102 1.00 0.00 C ATOM 603 CD2 TYR A 37 -5.138 43.786 1.865 1.00 0.00 C ATOM 604 CE1 TYR A 37 -5.326 41.050 2.182 1.00 0.00 C ATOM 605 CE2 TYR A 37 -4.554 42.941 0.938 1.00 0.00 C ATOM 606 CZ TYR A 37 -4.653 41.574 1.102 1.00 0.00 C ATOM 607 OH TYR A 37 -4.066 40.728 0.185 1.00 0.00 O ATOM 0 H TYR A 37 -5.687 42.487 5.719 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.766 45.160 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.400 43.759 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.727 45.146 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.440 41.481 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.058 44.855 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.398 39.980 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.023 43.349 0.090 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.055 41.157 -0.696 1.00 0.00 H new ATOM 617 N SER A 38 -6.380 46.518 6.318 1.00 0.00 N ATOM 618 CA SER A 38 -7.067 47.264 7.370 1.00 0.00 C ATOM 619 C SER A 38 -7.830 48.457 6.796 1.00 0.00 C ATOM 620 O SER A 38 -7.420 49.049 5.795 1.00 0.00 O ATOM 621 CB SER A 38 -6.049 47.738 8.416 1.00 0.00 C ATOM 622 OG SER A 38 -5.024 48.511 7.810 1.00 0.00 O ATOM 0 H SER A 38 -5.894 47.099 5.635 1.00 0.00 H new ATOM 0 HA SER A 38 -7.792 46.602 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.554 48.330 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.611 46.876 8.920 1.00 0.00 H new ATOM 0 HG SER A 38 -4.702 48.054 7.005 1.00 0.00 H new ATOM 628 N CYS A 39 -8.953 48.792 7.424 1.00 0.00 N ATOM 629 CA CYS A 39 -9.736 49.963 7.049 1.00 0.00 C ATOM 630 C CYS A 39 -10.134 50.759 8.280 1.00 0.00 C ATOM 631 O CYS A 39 -11.221 50.552 8.837 1.00 0.00 O ATOM 632 CB CYS A 39 -10.990 49.547 6.283 1.00 0.00 C ATOM 633 SG CYS A 39 -12.185 50.895 5.980 1.00 0.00 S ATOM 0 H CYS A 39 -9.344 48.262 8.203 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.117 50.589 6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.690 49.124 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.491 48.754 6.838 1.00 0.00 H new ATOM 638 N GLY A 40 -9.247 51.652 8.709 1.00 0.00 N ATOM 639 CA GLY A 40 -9.555 52.554 9.802 1.00 0.00 C ATOM 640 C GLY A 40 -10.671 53.510 9.434 1.00 0.00 C ATOM 641 O GLY A 40 -10.426 54.675 9.118 1.00 0.00 O ATOM 0 H GLY A 40 -8.313 51.766 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.843 51.977 10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.663 53.120 10.071 1.00 0.00 H new ATOM 645 N ARG A 41 -11.896 53.004 9.460 1.00 0.00 N ATOM 646 CA ARG A 41 -13.069 53.777 9.081 1.00 0.00 C ATOM 647 C ARG A 41 -14.326 53.008 9.479 1.00 0.00 C ATOM 648 O ARG A 41 -15.125 53.480 10.287 1.00 0.00 O ATOM 649 CB ARG A 41 -13.061 54.062 7.567 1.00 0.00 C ATOM 650 CG ARG A 41 -13.751 55.368 7.181 1.00 0.00 C ATOM 651 CD ARG A 41 -12.990 56.576 7.720 1.00 0.00 C ATOM 652 NE ARG A 41 -13.628 57.842 7.359 1.00 0.00 N ATOM 653 CZ ARG A 41 -12.962 58.944 7.012 1.00 0.00 C ATOM 654 NH1 ARG A 41 -11.638 58.920 6.900 1.00 0.00 N ATOM 655 NH2 ARG A 41 -13.621 60.064 6.758 1.00 0.00 N ATOM 0 H ARG A 41 -12.104 52.047 9.744 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.055 54.735 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.029 54.091 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.550 53.237 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.825 55.436 6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.769 55.373 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.920 56.504 8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.971 56.562 7.333 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.647 57.885 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.127 58.056 7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.133 59.766 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.638 60.084 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.111 60.907 6.493 1.00 0.00 H new ATOM 669 N CYS A 42 -14.488 51.810 8.912 1.00 0.00 N ATOM 670 CA CYS A 42 -15.590 50.920 9.294 1.00 0.00 C ATOM 671 C CYS A 42 -15.055 49.738 10.100 1.00 0.00 C ATOM 672 O CYS A 42 -15.817 48.995 10.715 1.00 0.00 O ATOM 673 CB CYS A 42 -16.365 50.416 8.061 1.00 0.00 C ATOM 674 SG CYS A 42 -15.450 49.245 6.998 1.00 0.00 S ATOM 0 H CYS A 42 -13.874 51.434 8.190 1.00 0.00 H new ATOM 0 HA CYS A 42 -16.283 51.492 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -17.283 49.935 8.399 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.659 51.276 7.459 1.00 0.00 H new ATOM 679 N GLY A 43 -13.731 49.576 10.102 1.00 0.00 N ATOM 680 CA GLY A 43 -13.113 48.492 10.844 1.00 0.00 C ATOM 681 C GLY A 43 -13.060 47.205 10.048 1.00 0.00 C ATOM 682 O GLY A 43 -13.046 46.113 10.619 1.00 0.00 O ATOM 0 H GLY A 43 -13.077 50.178 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.102 48.781 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.669 48.323 11.766 1.00 0.00 H new ATOM 686 N TYR A 44 -13.044 47.328 8.722 1.00 0.00 N ATOM 687 CA TYR A 44 -12.901 46.163 7.854 1.00 0.00 C ATOM 688 C TYR A 44 -11.447 45.714 7.858 1.00 0.00 C ATOM 689 O TYR A 44 -10.566 46.429 7.367 1.00 0.00 O ATOM 690 CB TYR A 44 -13.364 46.470 6.418 1.00 0.00 C ATOM 691 CG TYR A 44 -13.341 45.258 5.497 1.00 0.00 C ATOM 692 CD1 TYR A 44 -14.326 44.279 5.580 1.00 0.00 C ATOM 693 CD2 TYR A 44 -12.335 45.090 4.548 1.00 0.00 C ATOM 694 CE1 TYR A 44 -14.310 43.172 4.751 1.00 0.00 C ATOM 695 CE2 TYR A 44 -12.313 43.986 3.715 1.00 0.00 C ATOM 696 CZ TYR A 44 -13.302 43.030 3.821 1.00 0.00 C ATOM 697 OH TYR A 44 -13.285 41.928 2.993 1.00 0.00 O ATOM 0 H TYR A 44 -13.128 48.217 8.229 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.535 45.363 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -14.377 46.872 6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.726 47.247 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -15.119 44.386 6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -11.558 45.835 4.461 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.083 42.422 4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.525 43.873 2.985 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.375 41.569 2.945 1.00 0.00 H new ATOM 707 N THR A 45 -11.205 44.546 8.436 1.00 0.00 N ATOM 708 CA THR A 45 -9.865 44.000 8.550 1.00 0.00 C ATOM 709 C THR A 45 -9.850 42.553 8.058 1.00 0.00 C ATOM 710 O THR A 45 -10.631 41.720 8.523 1.00 0.00 O ATOM 711 CB THR A 45 -9.368 44.072 10.011 1.00 0.00 C ATOM 712 OG1 THR A 45 -9.506 45.413 10.507 1.00 0.00 O ATOM 713 CG2 THR A 45 -7.909 43.641 10.118 1.00 0.00 C ATOM 0 H THR A 45 -11.932 43.953 8.837 1.00 0.00 H new ATOM 0 HA THR A 45 -9.193 44.595 7.931 1.00 0.00 H new ATOM 0 HB THR A 45 -9.975 43.391 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.191 45.453 11.434 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.587 43.702 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.806 42.615 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.290 44.298 9.507 1.00 0.00 H new ATOM 721 N GLU A 46 -8.967 42.265 7.112 1.00 0.00 N ATOM 722 CA GLU A 46 -8.910 40.952 6.474 1.00 0.00 C ATOM 723 C GLU A 46 -7.487 40.402 6.519 1.00 0.00 C ATOM 724 O GLU A 46 -6.573 41.014 5.977 1.00 0.00 O ATOM 725 CB GLU A 46 -9.378 41.071 5.016 1.00 0.00 C ATOM 726 CG GLU A 46 -9.410 39.747 4.264 1.00 0.00 C ATOM 727 CD GLU A 46 -9.754 39.912 2.791 1.00 0.00 C ATOM 728 OE1 GLU A 46 -10.834 40.455 2.486 1.00 0.00 O ATOM 729 OE2 GLU A 46 -8.953 39.475 1.935 1.00 0.00 O ATOM 0 H GLU A 46 -8.274 42.928 6.765 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.565 40.267 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.376 41.510 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.718 41.760 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.439 39.261 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.141 39.087 4.731 1.00 0.00 H new ATOM 736 N PHE A 47 -7.295 39.259 7.168 1.00 0.00 N ATOM 737 CA PHE A 47 -5.974 38.633 7.235 1.00 0.00 C ATOM 738 C PHE A 47 -5.508 38.199 5.847 1.00 0.00 C ATOM 739 O PHE A 47 -6.319 37.824 4.997 1.00 0.00 O ATOM 740 CB PHE A 47 -5.983 37.435 8.194 1.00 0.00 C ATOM 741 CG PHE A 47 -6.056 37.829 9.648 1.00 0.00 C ATOM 742 CD1 PHE A 47 -4.900 38.138 10.353 1.00 0.00 C ATOM 743 CD2 PHE A 47 -7.274 37.891 10.312 1.00 0.00 C ATOM 744 CE1 PHE A 47 -4.958 38.501 11.686 1.00 0.00 C ATOM 745 CE2 PHE A 47 -7.335 38.254 11.645 1.00 0.00 C ATOM 746 CZ PHE A 47 -6.176 38.558 12.331 1.00 0.00 C ATOM 0 H PHE A 47 -8.031 38.747 7.654 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.272 39.374 7.618 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.833 36.795 7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.083 36.842 8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.943 38.094 9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.184 37.653 9.781 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.051 38.740 12.221 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.289 38.300 12.149 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.223 38.840 13.372 1.00 0.00 H new ATOM 756 N LYS A 48 -4.197 38.264 5.623 1.00 0.00 N ATOM 757 CA LYS A 48 -3.607 37.890 4.340 1.00 0.00 C ATOM 758 C LYS A 48 -3.927 36.440 3.981 1.00 0.00 C ATOM 759 O LYS A 48 -3.397 35.509 4.593 1.00 0.00 O ATOM 760 CB LYS A 48 -2.082 38.098 4.371 1.00 0.00 C ATOM 761 CG LYS A 48 -1.632 39.503 3.981 1.00 0.00 C ATOM 762 CD LYS A 48 -1.802 39.752 2.484 1.00 0.00 C ATOM 763 CE LYS A 48 -1.267 41.117 2.062 1.00 0.00 C ATOM 764 NZ LYS A 48 -1.392 41.321 0.593 1.00 0.00 N ATOM 0 H LYS A 48 -3.519 38.575 6.319 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.042 38.533 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.717 37.878 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.615 37.379 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.209 40.239 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.587 39.641 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.283 38.972 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.858 39.681 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.813 41.901 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.221 41.206 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.399 42.340 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.586 40.874 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.278 40.892 0.257 1.00 0.00 H new ATOM 778 N LYS A 49 -4.810 36.258 3.003 1.00 0.00 N ATOM 779 CA LYS A 49 -5.090 34.940 2.440 1.00 0.00 C ATOM 780 C LYS A 49 -4.882 34.975 0.926 1.00 0.00 C ATOM 781 O LYS A 49 -5.534 35.743 0.212 1.00 0.00 O ATOM 782 CB LYS A 49 -6.515 34.469 2.790 1.00 0.00 C ATOM 783 CG LYS A 49 -7.632 35.400 2.322 1.00 0.00 C ATOM 784 CD LYS A 49 -9.008 34.797 2.601 1.00 0.00 C ATOM 785 CE LYS A 49 -10.141 35.717 2.162 1.00 0.00 C ATOM 786 NZ LYS A 49 -10.156 36.995 2.922 1.00 0.00 N ATOM 0 H LYS A 49 -5.349 37.014 2.581 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.398 34.221 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.675 33.484 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.588 34.352 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.544 36.361 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.526 35.591 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.096 33.842 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.103 34.590 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.041 35.931 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.094 35.206 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.033 37.513 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.107 36.793 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.338 37.574 2.644 1.00 0.00 H new ATOM 800 N ALA A 50 -3.946 34.163 0.446 1.00 0.00 N ATOM 801 CA ALA A 50 -3.612 34.122 -0.972 1.00 0.00 C ATOM 802 C ALA A 50 -4.565 33.192 -1.719 1.00 0.00 C ATOM 803 O ALA A 50 -4.425 31.966 -1.659 1.00 0.00 O ATOM 804 CB ALA A 50 -2.164 33.679 -1.162 1.00 0.00 C ATOM 0 H ALA A 50 -3.403 33.521 1.023 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.722 35.125 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.928 33.653 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.499 34.382 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.029 32.685 -0.736 1.00 0.00 H new ATOM 810 N LYS A 51 -5.546 33.773 -2.400 1.00 0.00 N ATOM 811 CA LYS A 51 -6.526 32.991 -3.146 1.00 0.00 C ATOM 812 C LYS A 51 -5.908 32.415 -4.418 1.00 0.00 C ATOM 813 O LYS A 51 -5.814 33.094 -5.445 1.00 0.00 O ATOM 814 CB LYS A 51 -7.762 33.837 -3.478 1.00 0.00 C ATOM 815 CG LYS A 51 -8.819 33.079 -4.282 1.00 0.00 C ATOM 816 CD LYS A 51 -10.171 33.786 -4.265 1.00 0.00 C ATOM 817 CE LYS A 51 -10.725 33.889 -2.849 1.00 0.00 C ATOM 818 NZ LYS A 51 -12.131 34.372 -2.828 1.00 0.00 N ATOM 0 H LYS A 51 -5.684 34.782 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.843 32.160 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.209 34.194 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.450 34.717 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.481 32.970 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.931 32.074 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.067 34.784 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.876 33.243 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.671 32.912 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.102 34.566 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.465 34.426 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.180 35.315 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.733 33.713 -3.362 1.00 0.00 H new ATOM 832 N LYS A 52 -5.461 31.167 -4.327 1.00 0.00 N ATOM 833 CA LYS A 52 -4.893 30.456 -5.469 1.00 0.00 C ATOM 834 C LYS A 52 -6.010 29.820 -6.295 1.00 0.00 C ATOM 835 O LYS A 52 -5.819 29.479 -7.465 1.00 0.00 O ATOM 836 CB LYS A 52 -3.907 29.383 -4.983 1.00 0.00 C ATOM 837 CG LYS A 52 -2.778 29.943 -4.120 1.00 0.00 C ATOM 838 CD LYS A 52 -1.845 28.848 -3.598 1.00 0.00 C ATOM 839 CE LYS A 52 -1.102 28.137 -4.726 1.00 0.00 C ATOM 840 NZ LYS A 52 -0.163 27.104 -4.206 1.00 0.00 N ATOM 0 H LYS A 52 -5.481 30.622 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.354 31.164 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.452 28.631 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.477 28.877 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.201 30.661 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.204 30.486 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.123 29.286 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.424 28.119 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.822 27.669 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.548 28.869 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.322 26.644 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.540 27.554 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.695 26.392 -3.666 1.00 0.00 H new ATOM 854 N SER A 53 -7.174 29.672 -5.669 1.00 0.00 N ATOM 855 CA SER A 53 -8.346 29.094 -6.317 1.00 0.00 C ATOM 856 C SER A 53 -8.897 30.034 -7.389 1.00 0.00 C ATOM 857 O SER A 53 -9.616 30.988 -7.082 1.00 0.00 O ATOM 858 CB SER A 53 -9.429 28.806 -5.270 1.00 0.00 C ATOM 859 OG SER A 53 -8.920 28.012 -4.205 1.00 0.00 O ATOM 0 H SER A 53 -7.331 29.949 -4.700 1.00 0.00 H new ATOM 0 HA SER A 53 -8.048 28.163 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.814 29.746 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.266 28.292 -5.742 1.00 0.00 H new ATOM 0 HG SER A 53 -9.632 27.846 -3.552 1.00 0.00 H new ATOM 865 N LYS A 54 -8.535 29.777 -8.640 1.00 0.00 N ATOM 866 CA LYS A 54 -9.031 30.568 -9.763 1.00 0.00 C ATOM 867 C LYS A 54 -10.109 29.796 -10.525 1.00 0.00 C ATOM 868 O LYS A 54 -11.091 30.376 -10.998 1.00 0.00 O ATOM 869 CB LYS A 54 -7.879 30.947 -10.710 1.00 0.00 C ATOM 870 CG LYS A 54 -7.184 29.749 -11.351 1.00 0.00 C ATOM 871 CD LYS A 54 -6.133 30.172 -12.374 1.00 0.00 C ATOM 872 CE LYS A 54 -5.516 28.965 -13.072 1.00 0.00 C ATOM 873 NZ LYS A 54 -6.536 28.160 -13.798 1.00 0.00 N ATOM 0 H LYS A 54 -7.898 29.025 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.470 31.484 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.267 31.593 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.142 31.528 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.712 29.147 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.927 29.117 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.589 30.829 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.351 30.746 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.754 29.303 -13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.015 28.337 -12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.084 27.322 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.277 27.859 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.961 28.736 -14.552 1.00 0.00 H new ATOM 887 N SER A 55 -9.930 28.482 -10.618 1.00 0.00 N ATOM 888 CA SER A 55 -10.813 27.628 -11.402 1.00 0.00 C ATOM 889 C SER A 55 -11.759 26.844 -10.482 1.00 0.00 C ATOM 890 O SER A 55 -11.395 25.727 -10.045 1.00 0.00 O ATOM 891 CB SER A 55 -9.965 26.676 -12.261 1.00 0.00 C ATOM 892 OG SER A 55 -8.997 27.395 -13.015 1.00 0.00 O ATOM 893 OXT SER A 55 -12.861 27.354 -10.186 1.00 0.00 O ATOM 0 H SER A 55 -9.172 27.982 -10.154 1.00 0.00 H new ATOM 0 HA SER A 55 -11.427 28.245 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.465 25.950 -11.620 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.612 26.115 -12.935 1.00 0.00 H new ATOM 0 HG SER A 55 -8.717 26.858 -13.785 1.00 0.00 H new TER 899 SER A 55 HETATM 900 ZN ZN A 56 -14.268 50.173 5.192 1.00 0.00 ZN