USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 594 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 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0218) USER MOD Set 1.2: A 68 SER OG : rot 44:sc= 0.989 USER MOD Set 2.1: A 51 LYS NZ :NH3+ 158:sc= 0.0738 (180deg=0) USER MOD Set 2.2: A 55 SER OG : rot 101:sc= -3.62! 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -96:sc= -1.87! USER MOD Single : A 11 THR OG1 : rot 91:sc= -4.04! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= -15.2! (180deg=-22.1!) USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.719 (180deg=-1.69) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.97! K(o=-5!,f=-3.6) USER MOD Single : A 43 ASN : amide:sc= -1.37 K(o=-1.4,f=-8.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.547 (180deg=-2.03!) USER MOD Single : A 52 SER OG : rot 88:sc= 0.892 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 61 GLN : amide:sc= -3.45! C(o=-3.4!,f=-2.9!) USER MOD Single : A 62 THR OG1 : rot -66:sc= 1.08 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -150:sc= 0.0975 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00529) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.270 -3.382 8.515 1.00 0.00 N ATOM 2 CA MET A 1 10.525 -3.993 9.851 1.00 0.00 C ATOM 3 C MET A 1 9.831 -3.162 10.932 1.00 0.00 C ATOM 4 O MET A 1 10.437 -2.760 11.905 1.00 0.00 O ATOM 5 CB MET A 1 12.031 -4.023 10.119 1.00 0.00 C ATOM 6 CG MET A 1 12.320 -4.950 11.301 1.00 0.00 C ATOM 7 SD MET A 1 13.973 -4.602 11.951 1.00 0.00 S ATOM 8 CE MET A 1 13.678 -5.176 13.641 1.00 0.00 C ATOM 0 H1 MET A 1 10.741 -3.946 7.780 1.00 0.00 H new ATOM 0 H2 MET A 1 9.246 -3.361 8.332 1.00 0.00 H new ATOM 0 H3 MET A 1 10.644 -2.412 8.500 1.00 0.00 H new ATOM 0 HA MET A 1 10.133 -5.010 9.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.562 -4.370 9.233 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.393 -3.018 10.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.573 -4.805 12.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.254 -5.991 10.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.586 -5.051 14.231 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.872 -4.594 14.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.398 -6.229 13.624 1.00 0.00 H new ATOM 20 N ALA A 2 8.562 -2.901 10.770 1.00 0.00 N ATOM 21 CA ALA A 2 7.832 -2.097 11.789 1.00 0.00 C ATOM 22 C ALA A 2 8.587 -0.791 12.045 1.00 0.00 C ATOM 23 O ALA A 2 8.721 -0.351 13.170 1.00 0.00 O ATOM 24 CB ALA A 2 7.736 -2.892 13.092 1.00 0.00 C ATOM 0 H ALA A 2 8.001 -3.210 9.976 1.00 0.00 H new ATOM 0 HA ALA A 2 6.830 -1.873 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.202 -2.304 13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.199 -3.823 12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.739 -3.116 13.456 1.00 0.00 H new ATOM 30 N GLY A 3 9.082 -0.167 11.011 1.00 0.00 N ATOM 31 CA GLY A 3 9.829 1.109 11.200 1.00 0.00 C ATOM 32 C GLY A 3 9.496 2.074 10.061 1.00 0.00 C ATOM 33 O GLY A 3 8.430 2.009 9.481 1.00 0.00 O ATOM 0 H GLY A 3 9.002 -0.485 10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.566 1.557 12.158 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.901 0.914 11.223 1.00 0.00 H new ATOM 37 N PRO A 4 10.428 2.943 9.781 1.00 0.00 N ATOM 38 CA PRO A 4 10.202 3.921 8.694 1.00 0.00 C ATOM 39 C PRO A 4 10.128 3.200 7.345 1.00 0.00 C ATOM 40 O PRO A 4 9.721 3.763 6.348 1.00 0.00 O ATOM 41 CB PRO A 4 11.425 4.838 8.748 1.00 0.00 C ATOM 42 CG PRO A 4 12.539 4.031 9.442 1.00 0.00 C ATOM 43 CD PRO A 4 11.844 2.899 10.218 1.00 0.00 C ATOM 0 HA PRO A 4 9.268 4.471 8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.730 5.139 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.203 5.750 9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.238 3.626 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.115 4.666 10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.296 1.933 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.929 3.049 11.294 1.00 0.00 H new ATOM 51 N SER A 5 10.528 1.959 7.311 1.00 0.00 N ATOM 52 CA SER A 5 10.497 1.190 6.036 1.00 0.00 C ATOM 53 C SER A 5 9.089 0.644 5.791 1.00 0.00 C ATOM 54 O SER A 5 8.220 0.790 6.622 1.00 0.00 O ATOM 55 CB SER A 5 11.474 0.027 6.144 1.00 0.00 C ATOM 56 OG SER A 5 12.709 0.391 5.541 1.00 0.00 O ATOM 0 H SER A 5 10.877 1.441 8.118 1.00 0.00 H new ATOM 0 HA SER A 5 10.775 1.842 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.631 -0.235 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.063 -0.855 5.653 1.00 0.00 H new ATOM 0 HG SER A 5 13.340 -0.356 5.611 1.00 0.00 H new ATOM 62 N VAL A 6 8.883 0.019 4.648 1.00 0.00 N ATOM 63 CA VAL A 6 7.551 -0.567 4.272 1.00 0.00 C ATOM 64 C VAL A 6 6.600 -0.596 5.480 1.00 0.00 C ATOM 65 O VAL A 6 6.689 -1.431 6.354 1.00 0.00 O ATOM 66 CB VAL A 6 7.792 -1.963 3.668 1.00 0.00 C ATOM 67 CG1 VAL A 6 7.234 -3.079 4.557 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.124 -2.038 2.294 1.00 0.00 C ATOM 0 H VAL A 6 9.607 -0.112 3.941 1.00 0.00 H new ATOM 0 HA VAL A 6 7.058 0.055 3.525 1.00 0.00 H new ATOM 0 HB VAL A 6 8.869 -2.108 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.427 -4.046 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.718 -3.043 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.159 -2.943 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.291 -3.024 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.053 -1.865 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.551 -1.278 1.640 1.00 0.00 H new ATOM 78 N THR A 7 5.730 0.372 5.508 1.00 0.00 N ATOM 79 CA THR A 7 4.732 0.573 6.608 1.00 0.00 C ATOM 80 C THR A 7 4.694 2.077 6.813 1.00 0.00 C ATOM 81 O THR A 7 3.655 2.702 6.886 1.00 0.00 O ATOM 82 CB THR A 7 5.153 -0.100 7.921 1.00 0.00 C ATOM 83 OG1 THR A 7 6.559 0.010 8.093 1.00 0.00 O ATOM 84 CG2 THR A 7 4.734 -1.574 7.911 1.00 0.00 C ATOM 0 H THR A 7 5.664 1.075 4.771 1.00 0.00 H new ATOM 0 HA THR A 7 3.771 0.134 6.338 1.00 0.00 H new ATOM 0 HB THR A 7 4.657 0.400 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.993 -0.809 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.036 -2.045 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.652 -1.644 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.215 -2.083 7.076 1.00 0.00 H new ATOM 92 N GLU A 8 5.861 2.652 6.838 1.00 0.00 N ATOM 93 CA GLU A 8 6.004 4.119 6.959 1.00 0.00 C ATOM 94 C GLU A 8 6.229 4.655 5.543 1.00 0.00 C ATOM 95 O GLU A 8 6.031 5.819 5.260 1.00 0.00 O ATOM 96 CB GLU A 8 7.220 4.434 7.835 1.00 0.00 C ATOM 97 CG GLU A 8 6.824 5.429 8.927 1.00 0.00 C ATOM 98 CD GLU A 8 6.461 4.667 10.204 1.00 0.00 C ATOM 99 OE1 GLU A 8 7.355 4.088 10.799 1.00 0.00 O ATOM 100 OE2 GLU A 8 5.296 4.677 10.565 1.00 0.00 O ATOM 0 H GLU A 8 6.745 2.147 6.777 1.00 0.00 H new ATOM 0 HA GLU A 8 5.123 4.574 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.603 3.518 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.022 4.849 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.646 6.117 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.977 6.030 8.596 1.00 0.00 H new ATOM 107 N LEU A 9 6.632 3.781 4.648 1.00 0.00 N ATOM 108 CA LEU A 9 6.868 4.180 3.235 1.00 0.00 C ATOM 109 C LEU A 9 5.522 4.233 2.508 1.00 0.00 C ATOM 110 O LEU A 9 5.206 5.190 1.829 1.00 0.00 O ATOM 111 CB LEU A 9 7.753 3.131 2.555 1.00 0.00 C ATOM 112 CG LEU A 9 9.076 2.979 3.304 1.00 0.00 C ATOM 113 CD1 LEU A 9 10.044 2.141 2.468 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.684 4.357 3.552 1.00 0.00 C ATOM 0 H LEU A 9 6.808 2.796 4.847 1.00 0.00 H new ATOM 0 HA LEU A 9 7.356 5.154 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.234 2.173 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.945 3.423 1.522 1.00 0.00 H new ATOM 0 HG LEU A 9 8.896 2.484 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.987 2.033 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.613 1.156 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.223 2.636 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.628 4.247 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.863 4.853 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.996 4.956 4.149 1.00 0.00 H new ATOM 126 N ILE A 10 4.721 3.208 2.657 1.00 0.00 N ATOM 127 CA ILE A 10 3.394 3.189 1.994 1.00 0.00 C ATOM 128 C ILE A 10 2.526 4.250 2.656 1.00 0.00 C ATOM 129 O ILE A 10 2.049 5.171 2.024 1.00 0.00 O ATOM 130 CB ILE A 10 2.760 1.805 2.185 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.266 0.857 1.102 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.235 1.901 2.091 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.621 -0.516 1.293 1.00 0.00 C ATOM 0 H ILE A 10 4.936 2.381 3.214 1.00 0.00 H new ATOM 0 HA ILE A 10 3.488 3.393 0.927 1.00 0.00 H new ATOM 0 HB ILE A 10 3.036 1.428 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.024 1.251 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.351 0.772 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.799 0.912 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.864 2.572 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.954 2.288 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.980 -1.197 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.885 -0.909 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.538 -0.422 1.219 1.00 0.00 H new ATOM 145 N THR A 11 2.329 4.124 3.937 1.00 0.00 N ATOM 146 CA THR A 11 1.505 5.116 4.663 1.00 0.00 C ATOM 147 C THR A 11 2.017 6.519 4.327 1.00 0.00 C ATOM 148 O THR A 11 1.303 7.496 4.432 1.00 0.00 O ATOM 149 CB THR A 11 1.617 4.856 6.164 1.00 0.00 C ATOM 150 OG1 THR A 11 1.506 3.460 6.405 1.00 0.00 O ATOM 151 CG2 THR A 11 0.497 5.589 6.895 1.00 0.00 C ATOM 0 H THR A 11 2.707 3.371 4.512 1.00 0.00 H new ATOM 0 HA THR A 11 0.459 5.034 4.367 1.00 0.00 H new ATOM 0 HB THR A 11 2.580 5.216 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.398 3.053 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.578 5.402 7.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.579 6.659 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.468 5.230 6.536 1.00 0.00 H new ATOM 159 N LYS A 12 3.245 6.622 3.896 1.00 0.00 N ATOM 160 CA LYS A 12 3.784 7.955 3.518 1.00 0.00 C ATOM 161 C LYS A 12 3.139 8.346 2.192 1.00 0.00 C ATOM 162 O LYS A 12 2.639 9.440 2.022 1.00 0.00 O ATOM 163 CB LYS A 12 5.302 7.873 3.345 1.00 0.00 C ATOM 164 CG LYS A 12 5.983 8.771 4.378 1.00 0.00 C ATOM 165 CD LYS A 12 6.920 9.748 3.665 1.00 0.00 C ATOM 166 CE LYS A 12 6.383 11.172 3.816 1.00 0.00 C ATOM 167 NZ LYS A 12 6.764 11.975 2.621 1.00 0.00 N ATOM 0 H LYS A 12 3.894 5.843 3.790 1.00 0.00 H new ATOM 0 HA LYS A 12 3.564 8.692 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.637 6.843 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.581 8.183 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.234 9.320 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.545 8.165 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.923 9.680 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.999 9.488 2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.299 11.154 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.786 11.630 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.399 12.944 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.800 12.002 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.359 11.541 1.767 1.00 0.00 H new ATOM 181 N ALA A 13 3.125 7.432 1.260 1.00 0.00 N ATOM 182 CA ALA A 13 2.490 7.705 -0.055 1.00 0.00 C ATOM 183 C ALA A 13 0.971 7.585 0.099 1.00 0.00 C ATOM 184 O ALA A 13 0.221 7.802 -0.831 1.00 0.00 O ATOM 185 CB ALA A 13 2.979 6.672 -1.075 1.00 0.00 C ATOM 0 H ALA A 13 3.530 6.501 1.357 1.00 0.00 H new ATOM 0 HA ALA A 13 2.752 8.706 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.516 6.868 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.063 6.740 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.707 5.672 -0.739 1.00 0.00 H new ATOM 191 N VAL A 14 0.515 7.233 1.274 1.00 0.00 N ATOM 192 CA VAL A 14 -0.948 7.088 1.502 1.00 0.00 C ATOM 193 C VAL A 14 -1.651 8.410 1.157 1.00 0.00 C ATOM 194 O VAL A 14 -2.632 8.435 0.441 1.00 0.00 O ATOM 195 CB VAL A 14 -1.180 6.687 2.972 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.969 7.759 3.739 1.00 0.00 C ATOM 197 CG2 VAL A 14 -1.950 5.367 3.014 1.00 0.00 C ATOM 0 H VAL A 14 1.099 7.040 2.087 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.366 6.312 0.861 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.207 6.581 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.111 7.438 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.416 8.698 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.941 7.903 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.118 5.077 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.909 5.489 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.372 4.593 2.509 1.00 0.00 H new ATOM 207 N SER A 15 -1.154 9.507 1.664 1.00 0.00 N ATOM 208 CA SER A 15 -1.792 10.822 1.366 1.00 0.00 C ATOM 209 C SER A 15 -1.358 11.295 -0.021 1.00 0.00 C ATOM 210 O SER A 15 -2.175 11.569 -0.877 1.00 0.00 O ATOM 211 CB SER A 15 -1.359 11.849 2.412 1.00 0.00 C ATOM 212 OG SER A 15 -1.217 11.205 3.672 1.00 0.00 O ATOM 0 H SER A 15 -0.335 9.549 2.271 1.00 0.00 H new ATOM 0 HA SER A 15 -2.876 10.713 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.416 12.309 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.097 12.649 2.480 1.00 0.00 H new ATOM 0 HG SER A 15 -0.938 11.861 4.345 1.00 0.00 H new ATOM 218 N ALA A 16 -0.076 11.392 -0.252 1.00 0.00 N ATOM 219 CA ALA A 16 0.409 11.846 -1.586 1.00 0.00 C ATOM 220 C ALA A 16 -0.401 11.150 -2.681 1.00 0.00 C ATOM 221 O ALA A 16 -0.558 11.662 -3.771 1.00 0.00 O ATOM 222 CB ALA A 16 1.889 11.489 -1.740 1.00 0.00 C ATOM 0 H ALA A 16 0.655 11.176 0.425 1.00 0.00 H new ATOM 0 HA ALA A 16 0.287 12.926 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.244 11.821 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.466 11.982 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.013 10.409 -1.657 1.00 0.00 H new ATOM 228 N SER A 17 -0.916 9.985 -2.397 1.00 0.00 N ATOM 229 CA SER A 17 -1.716 9.255 -3.420 1.00 0.00 C ATOM 230 C SER A 17 -2.951 8.638 -2.759 1.00 0.00 C ATOM 231 O SER A 17 -2.850 7.880 -1.816 1.00 0.00 O ATOM 232 CB SER A 17 -0.864 8.146 -4.036 1.00 0.00 C ATOM 233 OG SER A 17 -1.125 8.074 -5.432 1.00 0.00 O ATOM 0 H SER A 17 -0.817 9.508 -1.501 1.00 0.00 H new ATOM 0 HA SER A 17 -2.029 9.950 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.193 8.345 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.091 7.191 -3.562 1.00 0.00 H new ATOM 0 HG SER A 17 -0.579 7.365 -5.831 1.00 0.00 H new ATOM 239 N LYS A 18 -4.118 8.957 -3.250 1.00 0.00 N ATOM 240 CA LYS A 18 -5.359 8.388 -2.654 1.00 0.00 C ATOM 241 C LYS A 18 -6.500 8.491 -3.668 1.00 0.00 C ATOM 242 O LYS A 18 -7.161 9.505 -3.770 1.00 0.00 O ATOM 243 CB LYS A 18 -5.727 9.172 -1.392 1.00 0.00 C ATOM 244 CG LYS A 18 -7.025 8.614 -0.804 1.00 0.00 C ATOM 245 CD LYS A 18 -7.654 9.654 0.126 1.00 0.00 C ATOM 246 CE LYS A 18 -6.999 9.567 1.505 1.00 0.00 C ATOM 247 NZ LYS A 18 -7.351 10.779 2.298 1.00 0.00 N ATOM 0 H LYS A 18 -4.265 9.587 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.192 7.342 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.923 9.100 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.848 10.229 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.719 8.360 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.822 7.695 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.524 10.654 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.727 9.481 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.336 8.669 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.917 9.488 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.906 10.721 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.009 11.628 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.384 10.834 2.407 1.00 0.00 H new ATOM 261 N GLU A 19 -6.735 7.451 -4.421 1.00 0.00 N ATOM 262 CA GLU A 19 -7.833 7.500 -5.428 1.00 0.00 C ATOM 263 C GLU A 19 -9.044 6.727 -4.914 1.00 0.00 C ATOM 264 O GLU A 19 -10.014 6.536 -5.620 1.00 0.00 O ATOM 265 CB GLU A 19 -7.353 6.879 -6.741 1.00 0.00 C ATOM 266 CG GLU A 19 -6.600 7.927 -7.561 1.00 0.00 C ATOM 267 CD GLU A 19 -7.112 7.910 -9.003 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.306 8.081 -9.188 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.302 7.725 -9.896 1.00 0.00 O ATOM 0 H GLU A 19 -6.217 6.573 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.115 8.539 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.704 6.028 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.204 6.501 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.742 8.916 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.530 7.720 -7.541 1.00 0.00 H new ATOM 276 N ARG A 20 -8.990 6.290 -3.689 1.00 0.00 N ATOM 277 CA ARG A 20 -10.130 5.527 -3.104 1.00 0.00 C ATOM 278 C ARG A 20 -10.719 4.596 -4.163 1.00 0.00 C ATOM 279 O ARG A 20 -11.918 4.441 -4.266 1.00 0.00 O ATOM 280 CB ARG A 20 -11.210 6.503 -2.634 1.00 0.00 C ATOM 281 CG ARG A 20 -11.162 6.628 -1.110 1.00 0.00 C ATOM 282 CD ARG A 20 -10.758 8.053 -0.730 1.00 0.00 C ATOM 283 NE ARG A 20 -11.430 8.438 0.543 1.00 0.00 N ATOM 284 CZ ARG A 20 -11.612 9.698 0.829 1.00 0.00 C ATOM 285 NH1 ARG A 20 -12.197 10.485 -0.033 1.00 0.00 N ATOM 286 NH2 ARG A 20 -11.208 10.173 1.975 1.00 0.00 N ATOM 0 H ARG A 20 -8.199 6.429 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.774 4.939 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.057 7.479 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.193 6.153 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.136 6.388 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.449 5.914 -0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.676 8.117 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.037 8.745 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.748 7.717 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.512 10.115 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.339 11.470 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.749 9.559 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.351 11.158 2.198 1.00 0.00 H new ATOM 300 N LYS A 21 -9.890 3.992 -4.970 1.00 0.00 N ATOM 301 CA LYS A 21 -10.429 3.094 -6.029 1.00 0.00 C ATOM 302 C LYS A 21 -9.541 1.852 -6.204 1.00 0.00 C ATOM 303 O LYS A 21 -9.774 1.042 -7.079 1.00 0.00 O ATOM 304 CB LYS A 21 -10.484 3.866 -7.349 1.00 0.00 C ATOM 305 CG LYS A 21 -11.766 3.511 -8.104 1.00 0.00 C ATOM 306 CD LYS A 21 -11.629 3.946 -9.565 1.00 0.00 C ATOM 307 CE LYS A 21 -11.396 2.716 -10.444 1.00 0.00 C ATOM 308 NZ LYS A 21 -10.117 2.873 -11.192 1.00 0.00 N ATOM 0 H LYS A 21 -8.874 4.080 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.426 2.764 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.450 4.938 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.613 3.624 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.950 2.438 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.622 4.005 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.530 4.470 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.799 4.645 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.361 1.817 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.224 2.592 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.959 2.036 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.167 3.722 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.331 2.971 -10.518 1.00 0.00 H new ATOM 322 N GLY A 22 -8.531 1.685 -5.393 1.00 0.00 N ATOM 323 CA GLY A 22 -7.654 0.487 -5.542 1.00 0.00 C ATOM 324 C GLY A 22 -6.313 0.911 -6.139 1.00 0.00 C ATOM 325 O GLY A 22 -5.308 0.254 -5.957 1.00 0.00 O ATOM 0 H GLY A 22 -8.276 2.322 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.499 0.013 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.134 -0.251 -6.185 1.00 0.00 H new ATOM 329 N LEU A 23 -6.289 2.009 -6.846 1.00 0.00 N ATOM 330 CA LEU A 23 -5.010 2.478 -7.447 1.00 0.00 C ATOM 331 C LEU A 23 -3.896 2.346 -6.406 1.00 0.00 C ATOM 332 O LEU A 23 -2.739 2.186 -6.734 1.00 0.00 O ATOM 333 CB LEU A 23 -5.158 3.944 -7.870 1.00 0.00 C ATOM 334 CG LEU A 23 -3.789 4.521 -8.235 1.00 0.00 C ATOM 335 CD1 LEU A 23 -3.765 4.882 -9.722 1.00 0.00 C ATOM 336 CD2 LEU A 23 -3.533 5.780 -7.404 1.00 0.00 C ATOM 0 H LEU A 23 -7.099 2.600 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.763 1.877 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.833 4.019 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.602 4.522 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.016 3.781 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.789 5.293 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.951 3.988 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.537 5.623 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.558 6.194 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.307 6.518 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.551 5.526 -6.344 1.00 0.00 H new ATOM 348 N SER A 24 -4.240 2.406 -5.150 1.00 0.00 N ATOM 349 CA SER A 24 -3.207 2.280 -4.085 1.00 0.00 C ATOM 350 C SER A 24 -2.388 1.004 -4.303 1.00 0.00 C ATOM 351 O SER A 24 -1.195 1.056 -4.519 1.00 0.00 O ATOM 352 CB SER A 24 -3.892 2.216 -2.720 1.00 0.00 C ATOM 353 OG SER A 24 -4.461 3.484 -2.420 1.00 0.00 O ATOM 0 H SER A 24 -5.194 2.537 -4.815 1.00 0.00 H new ATOM 0 HA SER A 24 -2.543 3.144 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.666 1.449 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.171 1.937 -1.951 1.00 0.00 H new ATOM 0 HG SER A 24 -4.903 3.446 -1.546 1.00 0.00 H new ATOM 359 N LEU A 25 -3.018 -0.142 -4.239 1.00 0.00 N ATOM 360 CA LEU A 25 -2.272 -1.423 -4.428 1.00 0.00 C ATOM 361 C LEU A 25 -1.210 -1.269 -5.514 1.00 0.00 C ATOM 362 O LEU A 25 -0.206 -1.953 -5.509 1.00 0.00 O ATOM 363 CB LEU A 25 -3.242 -2.532 -4.844 1.00 0.00 C ATOM 364 CG LEU A 25 -2.451 -3.806 -5.149 1.00 0.00 C ATOM 365 CD1 LEU A 25 -3.097 -4.993 -4.432 1.00 0.00 C ATOM 366 CD2 LEU A 25 -2.454 -4.061 -6.659 1.00 0.00 C ATOM 0 H LEU A 25 -4.017 -0.246 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.790 -1.680 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.962 -2.719 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.810 -2.224 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.425 -3.686 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.533 -5.900 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.095 -4.814 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.124 -5.112 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.890 -4.968 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.480 -4.180 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.993 -3.217 -7.172 1.00 0.00 H new ATOM 378 N ALA A 26 -1.421 -0.394 -6.454 1.00 0.00 N ATOM 379 CA ALA A 26 -0.414 -0.233 -7.532 1.00 0.00 C ATOM 380 C ALA A 26 0.457 0.997 -7.270 1.00 0.00 C ATOM 381 O ALA A 26 1.594 0.881 -6.885 1.00 0.00 O ATOM 382 CB ALA A 26 -1.127 -0.083 -8.877 1.00 0.00 C ATOM 0 H ALA A 26 -2.239 0.211 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 26 0.226 -1.115 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.388 0.035 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.728 -0.971 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.774 0.794 -8.850 1.00 0.00 H new ATOM 388 N ALA A 27 -0.060 2.171 -7.500 1.00 0.00 N ATOM 389 CA ALA A 27 0.749 3.409 -7.291 1.00 0.00 C ATOM 390 C ALA A 27 1.287 3.497 -5.855 1.00 0.00 C ATOM 391 O ALA A 27 2.449 3.782 -5.640 1.00 0.00 O ATOM 392 CB ALA A 27 -0.127 4.631 -7.573 1.00 0.00 C ATOM 0 H ALA A 27 -1.014 2.330 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 27 1.600 3.379 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.456 5.539 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.482 4.594 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.980 4.631 -6.895 1.00 0.00 H new ATOM 398 N LEU A 28 0.456 3.291 -4.869 1.00 0.00 N ATOM 399 CA LEU A 28 0.933 3.407 -3.456 1.00 0.00 C ATOM 400 C LEU A 28 2.179 2.546 -3.222 1.00 0.00 C ATOM 401 O LEU A 28 3.067 2.931 -2.486 1.00 0.00 O ATOM 402 CB LEU A 28 -0.193 2.987 -2.491 1.00 0.00 C ATOM 403 CG LEU A 28 0.374 2.740 -1.086 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.780 4.079 -0.469 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.679 2.081 -0.201 1.00 0.00 C ATOM 0 H LEU A 28 -0.529 3.048 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 28 1.202 4.446 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.956 3.764 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.678 2.083 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 28 1.239 2.081 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.184 3.912 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.538 4.552 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.093 4.729 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.265 1.911 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.550 2.733 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.977 1.128 -0.638 1.00 0.00 H new ATOM 417 N LYS A 29 2.268 1.390 -3.819 1.00 0.00 N ATOM 418 CA LYS A 29 3.477 0.548 -3.584 1.00 0.00 C ATOM 419 C LYS A 29 4.438 0.728 -4.752 1.00 0.00 C ATOM 420 O LYS A 29 5.592 0.368 -4.676 1.00 0.00 O ATOM 421 CB LYS A 29 3.096 -0.940 -3.387 1.00 0.00 C ATOM 422 CG LYS A 29 2.662 -1.160 -1.922 1.00 0.00 C ATOM 423 CD LYS A 29 1.682 -0.062 -1.560 1.00 0.00 C ATOM 424 CE LYS A 29 0.494 -0.111 -2.524 1.00 0.00 C ATOM 425 NZ LYS A 29 -0.759 -0.327 -1.760 1.00 0.00 N ATOM 0 H LYS A 29 1.570 0.996 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 29 3.968 0.869 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.287 -1.214 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.944 -1.581 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.199 -2.140 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.527 -1.134 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.338 -0.189 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.171 0.911 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.432 0.820 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.633 -0.914 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.202 -1.217 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.542 -0.378 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.413 0.463 -1.935 1.00 0.00 H new ATOM 439 N LYS A 30 3.995 1.354 -5.807 1.00 0.00 N ATOM 440 CA LYS A 30 4.912 1.618 -6.938 1.00 0.00 C ATOM 441 C LYS A 30 5.680 2.891 -6.592 1.00 0.00 C ATOM 442 O LYS A 30 6.601 3.293 -7.276 1.00 0.00 O ATOM 443 CB LYS A 30 4.109 1.805 -8.225 1.00 0.00 C ATOM 444 CG LYS A 30 3.491 0.463 -8.625 1.00 0.00 C ATOM 445 CD LYS A 30 4.514 -0.360 -9.414 1.00 0.00 C ATOM 446 CE LYS A 30 5.031 0.459 -10.599 1.00 0.00 C ATOM 447 NZ LYS A 30 3.901 1.211 -11.216 1.00 0.00 N ATOM 0 H LYS A 30 3.040 1.691 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 30 5.598 0.786 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.328 2.550 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.755 2.175 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.178 -0.084 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.599 0.628 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.343 -0.644 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.056 -1.283 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.804 1.152 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.489 -0.199 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.082 1.338 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.017 0.678 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.814 2.142 -10.761 1.00 0.00 H new ATOM 461 N ALA A 31 5.313 3.504 -5.493 1.00 0.00 N ATOM 462 CA ALA A 31 6.006 4.723 -5.027 1.00 0.00 C ATOM 463 C ALA A 31 7.069 4.283 -4.025 1.00 0.00 C ATOM 464 O ALA A 31 7.987 5.011 -3.706 1.00 0.00 O ATOM 465 CB ALA A 31 4.993 5.643 -4.335 1.00 0.00 C ATOM 0 H ALA A 31 4.546 3.197 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 31 6.460 5.262 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.498 6.545 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.208 5.915 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.552 5.124 -3.484 1.00 0.00 H new ATOM 471 N LEU A 32 6.942 3.077 -3.530 1.00 0.00 N ATOM 472 CA LEU A 32 7.929 2.556 -2.554 1.00 0.00 C ATOM 473 C LEU A 32 9.253 2.327 -3.258 1.00 0.00 C ATOM 474 O LEU A 32 10.294 2.237 -2.636 1.00 0.00 O ATOM 475 CB LEU A 32 7.426 1.244 -1.989 1.00 0.00 C ATOM 476 CG LEU A 32 6.240 1.519 -1.090 1.00 0.00 C ATOM 477 CD1 LEU A 32 5.383 0.271 -1.011 1.00 0.00 C ATOM 478 CD2 LEU A 32 6.758 1.863 0.296 1.00 0.00 C ATOM 0 H LEU A 32 6.189 2.431 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 32 8.064 3.274 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.138 0.571 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.217 0.747 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 32 5.647 2.345 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.525 0.459 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.034 0.005 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.972 -0.550 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.917 2.065 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.335 1.025 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.394 2.746 0.238 1.00 0.00 H new ATOM 490 N ALA A 33 9.230 2.262 -4.556 1.00 0.00 N ATOM 491 CA ALA A 33 10.494 2.076 -5.312 1.00 0.00 C ATOM 492 C ALA A 33 11.187 3.435 -5.434 1.00 0.00 C ATOM 493 O ALA A 33 11.849 3.721 -6.412 1.00 0.00 O ATOM 494 CB ALA A 33 10.174 1.541 -6.709 1.00 0.00 C ATOM 0 H ALA A 33 8.388 2.330 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 33 11.142 1.368 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.100 1.403 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.657 0.585 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.537 2.253 -7.234 1.00 0.00 H new ATOM 500 N ALA A 34 11.016 4.288 -4.456 1.00 0.00 N ATOM 501 CA ALA A 34 11.639 5.641 -4.528 1.00 0.00 C ATOM 502 C ALA A 34 13.082 5.614 -4.011 1.00 0.00 C ATOM 503 O ALA A 34 13.899 6.416 -4.416 1.00 0.00 O ATOM 504 CB ALA A 34 10.820 6.616 -3.680 1.00 0.00 C ATOM 0 H ALA A 34 10.472 4.105 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 34 11.652 5.960 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.270 7.607 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.800 6.662 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.805 6.274 -2.645 1.00 0.00 H new ATOM 510 N GLY A 35 13.411 4.726 -3.111 1.00 0.00 N ATOM 511 CA GLY A 35 14.809 4.709 -2.585 1.00 0.00 C ATOM 512 C GLY A 35 15.343 3.277 -2.485 1.00 0.00 C ATOM 513 O GLY A 35 15.795 2.850 -1.441 1.00 0.00 O ATOM 0 H GLY A 35 12.784 4.022 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.454 5.296 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.837 5.180 -1.603 1.00 0.00 H new ATOM 517 N GLY A 36 15.311 2.533 -3.556 1.00 0.00 N ATOM 518 CA GLY A 36 15.835 1.138 -3.502 1.00 0.00 C ATOM 519 C GLY A 36 14.689 0.185 -3.189 1.00 0.00 C ATOM 520 O GLY A 36 14.473 -0.181 -2.055 1.00 0.00 O ATOM 0 H GLY A 36 14.947 2.828 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.295 0.872 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.610 1.057 -2.740 1.00 0.00 H new ATOM 524 N TYR A 37 13.946 -0.198 -4.190 1.00 0.00 N ATOM 525 CA TYR A 37 12.788 -1.112 -3.977 1.00 0.00 C ATOM 526 C TYR A 37 11.960 -1.114 -5.262 1.00 0.00 C ATOM 527 O TYR A 37 11.935 -0.131 -5.971 1.00 0.00 O ATOM 528 CB TYR A 37 11.934 -0.565 -2.828 1.00 0.00 C ATOM 529 CG TYR A 37 12.247 -1.251 -1.508 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.192 -2.289 -1.425 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.577 -0.831 -0.353 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.459 -2.896 -0.192 1.00 0.00 C ATOM 533 CE2 TYR A 37 11.847 -1.439 0.876 1.00 0.00 C ATOM 534 CZ TYR A 37 12.787 -2.470 0.958 1.00 0.00 C ATOM 535 OH TYR A 37 13.050 -3.070 2.173 1.00 0.00 O ATOM 0 H TYR A 37 14.094 0.087 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 37 13.123 -2.120 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.104 0.507 -2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.879 -0.700 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.712 -2.618 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.849 -0.035 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.184 -3.694 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.328 -1.111 1.765 1.00 0.00 H new ATOM 0 HH TYR A 37 12.499 -2.655 2.869 1.00 0.00 H new ATOM 545 N ASP A 38 11.283 -2.185 -5.597 1.00 0.00 N ATOM 546 CA ASP A 38 10.490 -2.146 -6.848 1.00 0.00 C ATOM 547 C ASP A 38 9.237 -2.996 -6.693 1.00 0.00 C ATOM 548 O ASP A 38 8.635 -3.383 -7.672 1.00 0.00 O ATOM 549 CB ASP A 38 11.334 -2.672 -8.019 1.00 0.00 C ATOM 550 CG ASP A 38 11.202 -1.725 -9.214 1.00 0.00 C ATOM 551 OD1 ASP A 38 11.206 -0.525 -8.997 1.00 0.00 O ATOM 552 OD2 ASP A 38 11.100 -2.217 -10.326 1.00 0.00 O ATOM 0 H ASP A 38 11.249 -3.058 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 38 10.200 -1.115 -7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.379 -2.752 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.004 -3.673 -8.297 1.00 0.00 H new ATOM 557 N VAL A 39 8.847 -3.322 -5.477 1.00 0.00 N ATOM 558 CA VAL A 39 7.642 -4.168 -5.299 1.00 0.00 C ATOM 559 C VAL A 39 7.775 -5.334 -6.264 1.00 0.00 C ATOM 560 O VAL A 39 6.810 -5.925 -6.707 1.00 0.00 O ATOM 561 CB VAL A 39 6.382 -3.340 -5.595 1.00 0.00 C ATOM 562 CG1 VAL A 39 6.530 -1.959 -4.960 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.191 -3.163 -7.103 1.00 0.00 C ATOM 0 H VAL A 39 9.313 -3.037 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 39 7.556 -4.537 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 39 5.519 -3.864 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.639 -1.366 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.653 -2.065 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.404 -1.458 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.293 -2.574 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.056 -2.648 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.088 -4.141 -7.574 1.00 0.00 H new ATOM 573 N GLU A 40 8.995 -5.647 -6.592 1.00 0.00 N ATOM 574 CA GLU A 40 9.273 -6.743 -7.528 1.00 0.00 C ATOM 575 C GLU A 40 10.486 -7.491 -7.005 1.00 0.00 C ATOM 576 O GLU A 40 10.378 -8.555 -6.429 1.00 0.00 O ATOM 577 CB GLU A 40 9.571 -6.150 -8.900 1.00 0.00 C ATOM 578 CG GLU A 40 8.708 -6.845 -9.954 1.00 0.00 C ATOM 579 CD GLU A 40 9.353 -6.678 -11.332 1.00 0.00 C ATOM 580 OE1 GLU A 40 9.313 -5.576 -11.853 1.00 0.00 O ATOM 581 OE2 GLU A 40 9.876 -7.655 -11.841 1.00 0.00 O ATOM 0 H GLU A 40 9.824 -5.171 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 40 8.424 -7.421 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.368 -5.079 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.627 -6.274 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.605 -7.903 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.705 -6.419 -9.956 1.00 0.00 H new ATOM 588 N LYS A 41 11.641 -6.907 -7.144 1.00 0.00 N ATOM 589 CA LYS A 41 12.852 -7.549 -6.591 1.00 0.00 C ATOM 590 C LYS A 41 12.824 -7.329 -5.075 1.00 0.00 C ATOM 591 O LYS A 41 13.659 -7.824 -4.344 1.00 0.00 O ATOM 592 CB LYS A 41 14.101 -6.904 -7.193 1.00 0.00 C ATOM 593 CG LYS A 41 14.334 -7.464 -8.597 1.00 0.00 C ATOM 594 CD LYS A 41 15.268 -6.533 -9.373 1.00 0.00 C ATOM 595 CE LYS A 41 15.743 -7.234 -10.646 1.00 0.00 C ATOM 596 NZ LYS A 41 16.470 -6.260 -11.508 1.00 0.00 N ATOM 0 H LYS A 41 11.794 -6.016 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 41 12.874 -8.613 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.980 -5.822 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.967 -7.103 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.769 -8.462 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.384 -7.563 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.749 -5.608 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.123 -6.260 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.396 -8.069 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.891 -7.648 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.793 -6.737 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.833 -5.477 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.291 -5.885 -10.992 1.00 0.00 H new ATOM 610 N ASN A 42 11.839 -6.596 -4.602 1.00 0.00 N ATOM 611 CA ASN A 42 11.702 -6.339 -3.155 1.00 0.00 C ATOM 612 C ASN A 42 10.229 -6.511 -2.827 1.00 0.00 C ATOM 613 O ASN A 42 9.700 -5.904 -1.921 1.00 0.00 O ATOM 614 CB ASN A 42 12.141 -4.910 -2.847 1.00 0.00 C ATOM 615 CG ASN A 42 13.626 -4.760 -3.175 1.00 0.00 C ATOM 616 OD1 ASN A 42 14.474 -5.279 -2.476 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.976 -4.064 -4.220 1.00 0.00 N ATOM 0 H ASN A 42 11.118 -6.164 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 42 12.319 -7.018 -2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.554 -4.202 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.963 -4.680 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.963 -3.954 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.263 -3.629 -4.805 1.00 0.00 H new ATOM 624 N ASN A 43 9.564 -7.343 -3.586 1.00 0.00 N ATOM 625 CA ASN A 43 8.117 -7.585 -3.357 1.00 0.00 C ATOM 626 C ASN A 43 7.941 -8.273 -2.009 1.00 0.00 C ATOM 627 O ASN A 43 6.842 -8.442 -1.527 1.00 0.00 O ATOM 628 CB ASN A 43 7.570 -8.487 -4.464 1.00 0.00 C ATOM 629 CG ASN A 43 8.304 -9.830 -4.436 1.00 0.00 C ATOM 630 OD1 ASN A 43 9.262 -9.996 -3.707 1.00 0.00 O ATOM 631 ND2 ASN A 43 7.894 -10.801 -5.205 1.00 0.00 N ATOM 0 H ASN A 43 9.970 -7.868 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 43 7.577 -6.638 -3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.500 -8.642 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.700 -8.009 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.378 -11.699 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.090 -10.662 -5.817 1.00 0.00 H new ATOM 638 N SER A 44 9.015 -8.675 -1.391 1.00 0.00 N ATOM 639 CA SER A 44 8.893 -9.340 -0.075 1.00 0.00 C ATOM 640 C SER A 44 8.510 -8.299 0.970 1.00 0.00 C ATOM 641 O SER A 44 8.093 -8.632 2.061 1.00 0.00 O ATOM 642 CB SER A 44 10.225 -9.979 0.305 1.00 0.00 C ATOM 643 OG SER A 44 10.631 -10.869 -0.726 1.00 0.00 O ATOM 0 H SER A 44 9.967 -8.570 -1.742 1.00 0.00 H new ATOM 0 HA SER A 44 8.128 -10.115 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.981 -9.209 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.127 -10.517 1.248 1.00 0.00 H new ATOM 0 HG SER A 44 11.488 -11.280 -0.485 1.00 0.00 H new ATOM 649 N ARG A 45 8.626 -7.035 0.649 1.00 0.00 N ATOM 650 CA ARG A 45 8.237 -6.008 1.647 1.00 0.00 C ATOM 651 C ARG A 45 7.037 -5.232 1.123 1.00 0.00 C ATOM 652 O ARG A 45 6.429 -4.464 1.837 1.00 0.00 O ATOM 653 CB ARG A 45 9.390 -5.048 1.937 1.00 0.00 C ATOM 654 CG ARG A 45 10.513 -5.801 2.653 1.00 0.00 C ATOM 655 CD ARG A 45 11.831 -5.579 1.908 1.00 0.00 C ATOM 656 NE ARG A 45 12.243 -6.845 1.239 1.00 0.00 N ATOM 657 CZ ARG A 45 13.366 -7.422 1.571 1.00 0.00 C ATOM 658 NH1 ARG A 45 14.501 -6.920 1.166 1.00 0.00 N ATOM 659 NH2 ARG A 45 13.355 -8.499 2.306 1.00 0.00 N ATOM 0 H ARG A 45 8.967 -6.680 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 45 7.980 -6.511 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.762 -4.618 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.041 -4.220 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.601 -5.452 3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.282 -6.865 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.714 -4.786 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.604 -5.255 2.604 1.00 0.00 H new ATOM 0 HE ARG A 45 11.648 -7.261 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.510 -6.078 0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.379 -7.370 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.468 -8.892 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.233 -8.949 2.565 1.00 0.00 H new ATOM 673 N ILE A 46 6.672 -5.435 -0.113 1.00 0.00 N ATOM 674 CA ILE A 46 5.486 -4.716 -0.637 1.00 0.00 C ATOM 675 C ILE A 46 4.272 -5.636 -0.518 1.00 0.00 C ATOM 676 O ILE A 46 3.190 -5.198 -0.248 1.00 0.00 O ATOM 677 CB ILE A 46 5.692 -4.304 -2.097 1.00 0.00 C ATOM 678 CG1 ILE A 46 6.644 -3.094 -2.175 1.00 0.00 C ATOM 679 CG2 ILE A 46 4.321 -3.913 -2.688 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.639 -3.106 -1.005 1.00 0.00 C ATOM 0 H ILE A 46 7.138 -6.059 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 46 5.330 -3.807 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 46 6.128 -5.132 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.187 -3.113 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.067 -2.170 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.445 -3.616 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.644 -4.766 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.904 -3.081 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.300 -2.243 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.093 -3.063 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.231 -4.021 -1.040 1.00 0.00 H new ATOM 692 N LYS A 47 4.438 -6.912 -0.684 1.00 0.00 N ATOM 693 CA LYS A 47 3.262 -7.811 -0.531 1.00 0.00 C ATOM 694 C LYS A 47 3.062 -8.087 0.962 1.00 0.00 C ATOM 695 O LYS A 47 2.189 -8.832 1.361 1.00 0.00 O ATOM 696 CB LYS A 47 3.503 -9.119 -1.273 1.00 0.00 C ATOM 697 CG LYS A 47 2.747 -9.101 -2.602 1.00 0.00 C ATOM 698 CD LYS A 47 3.714 -8.750 -3.735 1.00 0.00 C ATOM 699 CE LYS A 47 4.493 -10.000 -4.148 1.00 0.00 C ATOM 700 NZ LYS A 47 3.547 -11.137 -4.331 1.00 0.00 N ATOM 0 H LYS A 47 5.320 -7.369 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 47 2.373 -7.338 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.569 -9.257 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.170 -9.960 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.292 -10.074 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.937 -8.372 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.163 -8.354 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.403 -7.970 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.037 -9.813 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.234 -10.248 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.937 -11.804 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.410 -11.624 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.633 -10.777 -4.672 1.00 0.00 H new ATOM 714 N LEU A 48 3.864 -7.465 1.786 1.00 0.00 N ATOM 715 CA LEU A 48 3.739 -7.645 3.257 1.00 0.00 C ATOM 716 C LEU A 48 3.526 -6.263 3.870 1.00 0.00 C ATOM 717 O LEU A 48 2.684 -6.072 4.718 1.00 0.00 O ATOM 718 CB LEU A 48 5.022 -8.268 3.814 1.00 0.00 C ATOM 719 CG LEU A 48 5.121 -9.725 3.361 1.00 0.00 C ATOM 720 CD1 LEU A 48 5.583 -9.777 1.903 1.00 0.00 C ATOM 721 CD2 LEU A 48 6.133 -10.463 4.241 1.00 0.00 C ATOM 0 H LEU A 48 4.609 -6.832 1.495 1.00 0.00 H new ATOM 0 HA LEU A 48 2.905 -8.305 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.891 -7.709 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.022 -8.214 4.903 1.00 0.00 H new ATOM 0 HG LEU A 48 4.144 -10.200 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.653 -10.816 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.865 -9.250 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.560 -9.302 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.205 -11.502 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.109 -9.987 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.806 -10.426 5.280 1.00 0.00 H new ATOM 733 N GLY A 49 4.265 -5.291 3.402 1.00 0.00 N ATOM 734 CA GLY A 49 4.100 -3.901 3.898 1.00 0.00 C ATOM 735 C GLY A 49 2.828 -3.357 3.268 1.00 0.00 C ATOM 736 O GLY A 49 2.122 -2.560 3.847 1.00 0.00 O ATOM 0 H GLY A 49 4.984 -5.407 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.030 -3.885 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.959 -3.289 3.625 1.00 0.00 H new ATOM 740 N LEU A 50 2.514 -3.834 2.090 1.00 0.00 N ATOM 741 CA LEU A 50 1.258 -3.409 1.422 1.00 0.00 C ATOM 742 C LEU A 50 0.167 -4.295 1.995 1.00 0.00 C ATOM 743 O LEU A 50 -0.767 -3.835 2.611 1.00 0.00 O ATOM 744 CB LEU A 50 1.344 -3.613 -0.097 1.00 0.00 C ATOM 745 CG LEU A 50 0.270 -2.788 -0.808 1.00 0.00 C ATOM 746 CD1 LEU A 50 0.175 -3.205 -2.277 1.00 0.00 C ATOM 747 CD2 LEU A 50 -1.058 -3.033 -0.157 1.00 0.00 C ATOM 0 H LEU A 50 3.079 -4.501 1.565 1.00 0.00 H new ATOM 0 HA LEU A 50 1.065 -2.350 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.332 -3.321 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.218 -4.669 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 50 0.536 -1.733 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.592 -2.612 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.135 -3.039 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.086 -4.262 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.825 -2.446 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.307 -4.092 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.009 -2.740 0.892 1.00 0.00 H new ATOM 759 N LYS A 51 0.308 -5.581 1.844 1.00 0.00 N ATOM 760 CA LYS A 51 -0.697 -6.496 2.433 1.00 0.00 C ATOM 761 C LYS A 51 -0.887 -6.073 3.888 1.00 0.00 C ATOM 762 O LYS A 51 -1.906 -6.318 4.497 1.00 0.00 O ATOM 763 CB LYS A 51 -0.179 -7.935 2.368 1.00 0.00 C ATOM 764 CG LYS A 51 -1.046 -8.835 3.248 1.00 0.00 C ATOM 765 CD LYS A 51 -2.435 -8.973 2.626 1.00 0.00 C ATOM 766 CE LYS A 51 -3.430 -9.416 3.699 1.00 0.00 C ATOM 767 NZ LYS A 51 -4.796 -9.492 3.108 1.00 0.00 N ATOM 0 H LYS A 51 1.072 -6.033 1.341 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.641 -6.448 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.196 -8.292 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.858 -7.974 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.583 -9.816 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.125 -8.414 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.748 -8.022 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.411 -9.700 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.141 -10.388 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.421 -8.712 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.389 -10.124 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.219 -8.542 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.735 -9.863 2.138 1.00 0.00 H new ATOM 781 N SER A 52 0.099 -5.414 4.441 1.00 0.00 N ATOM 782 CA SER A 52 -0.003 -4.940 5.844 1.00 0.00 C ATOM 783 C SER A 52 -0.751 -3.626 5.870 1.00 0.00 C ATOM 784 O SER A 52 -1.577 -3.431 6.712 1.00 0.00 O ATOM 785 CB SER A 52 1.385 -4.743 6.450 1.00 0.00 C ATOM 786 OG SER A 52 1.885 -5.994 6.902 1.00 0.00 O ATOM 0 H SER A 52 0.975 -5.185 3.972 1.00 0.00 H new ATOM 0 HA SER A 52 -0.536 -5.689 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.060 -4.316 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.335 -4.038 7.280 1.00 0.00 H new ATOM 0 HG SER A 52 2.354 -6.443 6.168 1.00 0.00 H new ATOM 792 N LEU A 53 -0.521 -2.718 4.963 1.00 0.00 N ATOM 793 CA LEU A 53 -1.333 -1.478 5.049 1.00 0.00 C ATOM 794 C LEU A 53 -2.727 -1.844 4.568 1.00 0.00 C ATOM 795 O LEU A 53 -3.692 -1.795 5.305 1.00 0.00 O ATOM 796 CB LEU A 53 -0.730 -0.373 4.192 1.00 0.00 C ATOM 797 CG LEU A 53 0.072 0.550 5.106 1.00 0.00 C ATOM 798 CD1 LEU A 53 1.540 0.504 4.705 1.00 0.00 C ATOM 799 CD2 LEU A 53 -0.452 1.980 4.984 1.00 0.00 C ATOM 0 H LEU A 53 0.158 -2.774 4.204 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.361 -1.096 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.087 -0.797 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.515 0.185 3.682 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.033 0.220 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.116 1.162 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.911 -0.516 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.645 0.833 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.123 2.635 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.351 2.318 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.502 2.009 5.274 1.00 0.00 H new ATOM 811 N VAL A 54 -2.826 -2.250 3.343 1.00 0.00 N ATOM 812 CA VAL A 54 -4.137 -2.676 2.795 1.00 0.00 C ATOM 813 C VAL A 54 -4.845 -3.651 3.754 1.00 0.00 C ATOM 814 O VAL A 54 -6.036 -3.862 3.649 1.00 0.00 O ATOM 815 CB VAL A 54 -3.880 -3.389 1.472 1.00 0.00 C ATOM 816 CG1 VAL A 54 -3.320 -4.791 1.731 1.00 0.00 C ATOM 817 CG2 VAL A 54 -5.191 -3.499 0.696 1.00 0.00 C ATOM 0 H VAL A 54 -2.047 -2.307 2.688 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.774 -1.802 2.661 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.154 -2.819 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.140 -5.292 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.383 -4.712 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.038 -5.367 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.012 -4.008 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.914 -4.066 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.584 -2.501 0.502 1.00 0.00 H new ATOM 827 N SER A 55 -4.134 -4.281 4.660 1.00 0.00 N ATOM 828 CA SER A 55 -4.816 -5.264 5.561 1.00 0.00 C ATOM 829 C SER A 55 -4.533 -4.996 7.049 1.00 0.00 C ATOM 830 O SER A 55 -4.983 -5.736 7.901 1.00 0.00 O ATOM 831 CB SER A 55 -4.349 -6.676 5.212 1.00 0.00 C ATOM 832 OG SER A 55 -4.067 -6.747 3.820 1.00 0.00 O ATOM 0 H SER A 55 -3.133 -4.161 4.813 1.00 0.00 H new ATOM 0 HA SER A 55 -5.890 -5.157 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.459 -6.930 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.118 -7.402 5.476 1.00 0.00 H new ATOM 0 HG SER A 55 -3.099 -6.689 3.679 1.00 0.00 H new ATOM 838 N LYS A 56 -3.834 -3.950 7.391 1.00 0.00 N ATOM 839 CA LYS A 56 -3.603 -3.686 8.849 1.00 0.00 C ATOM 840 C LYS A 56 -4.759 -2.840 9.343 1.00 0.00 C ATOM 841 O LYS A 56 -5.075 -2.801 10.515 1.00 0.00 O ATOM 842 CB LYS A 56 -2.302 -2.915 9.085 1.00 0.00 C ATOM 843 CG LYS A 56 -1.146 -3.900 9.259 1.00 0.00 C ATOM 844 CD LYS A 56 0.153 -3.126 9.490 1.00 0.00 C ATOM 845 CE LYS A 56 0.354 -2.905 10.990 1.00 0.00 C ATOM 846 NZ LYS A 56 0.329 -1.445 11.286 1.00 0.00 N ATOM 0 H LYS A 56 -3.419 -3.278 6.746 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.531 -4.637 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.103 -2.251 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.395 -2.288 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.342 -4.562 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.054 -4.530 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.997 -3.679 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.115 -2.168 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.430 -3.414 11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.304 -3.335 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.466 -1.295 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.092 -0.971 10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.588 -1.048 10.998 1.00 0.00 H new ATOM 860 N GLY A 57 -5.382 -2.156 8.437 1.00 0.00 N ATOM 861 CA GLY A 57 -6.527 -1.286 8.810 1.00 0.00 C ATOM 862 C GLY A 57 -6.228 0.148 8.380 1.00 0.00 C ATOM 863 O GLY A 57 -7.055 1.029 8.505 1.00 0.00 O ATOM 0 H GLY A 57 -5.148 -2.160 7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.439 -1.640 8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.696 -1.328 9.886 1.00 0.00 H new ATOM 867 N THR A 58 -5.062 0.386 7.839 1.00 0.00 N ATOM 868 CA THR A 58 -4.739 1.753 7.368 1.00 0.00 C ATOM 869 C THR A 58 -5.400 1.890 6.012 1.00 0.00 C ATOM 870 O THR A 58 -6.178 2.782 5.765 1.00 0.00 O ATOM 871 CB THR A 58 -3.223 1.912 7.232 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.573 0.950 8.050 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.812 3.319 7.669 1.00 0.00 C ATOM 0 H THR A 58 -4.326 -0.308 7.706 1.00 0.00 H new ATOM 0 HA THR A 58 -5.090 2.514 8.064 1.00 0.00 H new ATOM 0 HB THR A 58 -2.934 1.760 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.602 1.049 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.732 3.429 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.311 4.056 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.100 3.476 8.708 1.00 0.00 H new ATOM 881 N LEU A 59 -5.105 0.970 5.145 1.00 0.00 N ATOM 882 CA LEU A 59 -5.711 0.969 3.803 1.00 0.00 C ATOM 883 C LEU A 59 -6.836 -0.056 3.763 1.00 0.00 C ATOM 884 O LEU A 59 -6.799 -1.011 3.014 1.00 0.00 O ATOM 885 CB LEU A 59 -4.653 0.586 2.806 1.00 0.00 C ATOM 886 CG LEU A 59 -4.155 1.837 2.111 1.00 0.00 C ATOM 887 CD1 LEU A 59 -3.670 2.847 3.152 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.005 1.455 1.201 1.00 0.00 C ATOM 0 H LEU A 59 -4.454 0.204 5.319 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.111 1.955 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.828 0.080 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.059 -0.114 2.076 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.960 2.287 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.313 3.745 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.493 3.107 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.858 2.409 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.633 2.344 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.203 1.014 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.350 0.732 0.462 1.00 0.00 H new ATOM 900 N VAL A 60 -7.831 0.143 4.568 1.00 0.00 N ATOM 901 CA VAL A 60 -8.978 -0.812 4.597 1.00 0.00 C ATOM 902 C VAL A 60 -9.680 -0.790 3.245 1.00 0.00 C ATOM 903 O VAL A 60 -10.616 -0.048 3.022 1.00 0.00 O ATOM 904 CB VAL A 60 -9.978 -0.405 5.666 1.00 0.00 C ATOM 905 CG1 VAL A 60 -10.734 -1.642 6.156 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.251 0.252 6.841 1.00 0.00 C ATOM 0 H VAL A 60 -7.906 0.929 5.214 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.599 -1.810 4.817 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.684 0.309 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.451 -1.350 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.263 -2.100 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.027 -2.358 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.976 0.540 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.538 -0.453 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.720 1.138 6.491 1.00 0.00 H new ATOM 916 N GLN A 61 -9.218 -1.590 2.348 1.00 0.00 N ATOM 917 CA GLN A 61 -9.812 -1.644 0.991 1.00 0.00 C ATOM 918 C GLN A 61 -11.143 -2.390 1.013 1.00 0.00 C ATOM 919 O GLN A 61 -11.910 -2.273 1.945 1.00 0.00 O ATOM 920 CB GLN A 61 -8.823 -2.362 0.075 1.00 0.00 C ATOM 921 CG GLN A 61 -8.795 -3.859 0.391 1.00 0.00 C ATOM 922 CD GLN A 61 -9.114 -4.639 -0.883 1.00 0.00 C ATOM 923 OE1 GLN A 61 -9.687 -5.709 -0.829 1.00 0.00 O ATOM 924 NE2 GLN A 61 -8.762 -4.142 -2.038 1.00 0.00 N ATOM 0 H GLN A 61 -8.435 -2.227 2.496 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.005 -0.634 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.105 -2.209 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.827 -1.938 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.815 -4.145 0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.522 -4.094 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.281 -3.244 -2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.968 -4.652 -2.897 1.00 0.00 H new ATOM 933 N THR A 62 -11.427 -3.133 -0.031 1.00 0.00 N ATOM 934 CA THR A 62 -12.707 -3.895 -0.119 1.00 0.00 C ATOM 935 C THR A 62 -13.869 -3.003 0.298 1.00 0.00 C ATOM 936 O THR A 62 -14.919 -3.483 0.676 1.00 0.00 O ATOM 937 CB THR A 62 -12.647 -5.133 0.786 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.934 -5.730 0.848 1.00 0.00 O ATOM 939 CG2 THR A 62 -12.203 -4.739 2.196 1.00 0.00 C ATOM 0 H THR A 62 -10.813 -3.243 -0.838 1.00 0.00 H new ATOM 0 HA THR A 62 -12.857 -4.218 -1.149 1.00 0.00 H new ATOM 0 HB THR A 62 -11.927 -5.840 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.556 -5.120 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.165 -5.627 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.214 -4.283 2.152 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.913 -4.026 2.615 1.00 0.00 H new ATOM 947 N LYS A 63 -13.686 -1.712 0.205 1.00 0.00 N ATOM 948 CA LYS A 63 -14.771 -0.749 0.577 1.00 0.00 C ATOM 949 C LYS A 63 -15.642 -1.331 1.697 1.00 0.00 C ATOM 950 O LYS A 63 -16.841 -1.137 1.724 1.00 0.00 O ATOM 951 CB LYS A 63 -15.644 -0.481 -0.650 1.00 0.00 C ATOM 952 CG LYS A 63 -14.750 -0.202 -1.860 1.00 0.00 C ATOM 953 CD LYS A 63 -15.407 -0.761 -3.121 1.00 0.00 C ATOM 954 CE LYS A 63 -16.779 -0.109 -3.309 1.00 0.00 C ATOM 955 NZ LYS A 63 -16.824 0.587 -4.626 1.00 0.00 N ATOM 0 H LYS A 63 -12.822 -1.276 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.318 0.178 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.285 -1.340 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.299 0.370 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.589 0.871 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.771 -0.658 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.777 -0.567 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.514 -1.843 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.562 -0.865 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.969 0.601 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.676 1.181 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.979 1.184 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.848 -0.118 -5.390 1.00 0.00 H new ATOM 969 N GLY A 64 -15.055 -2.058 2.611 1.00 0.00 N ATOM 970 CA GLY A 64 -15.863 -2.662 3.708 1.00 0.00 C ATOM 971 C GLY A 64 -16.811 -3.704 3.110 1.00 0.00 C ATOM 972 O GLY A 64 -16.480 -4.869 3.001 1.00 0.00 O ATOM 0 H GLY A 64 -14.055 -2.258 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.209 -3.127 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.431 -1.890 4.227 1.00 0.00 H new ATOM 976 N THR A 65 -17.986 -3.295 2.711 1.00 0.00 N ATOM 977 CA THR A 65 -18.948 -4.263 2.112 1.00 0.00 C ATOM 978 C THR A 65 -19.263 -3.845 0.673 1.00 0.00 C ATOM 979 O THR A 65 -18.481 -4.081 -0.227 1.00 0.00 O ATOM 980 CB THR A 65 -20.234 -4.291 2.942 1.00 0.00 C ATOM 981 OG1 THR A 65 -19.960 -4.863 4.214 1.00 0.00 O ATOM 982 CG2 THR A 65 -21.290 -5.130 2.221 1.00 0.00 C ATOM 0 H THR A 65 -18.320 -2.333 2.774 1.00 0.00 H new ATOM 0 HA THR A 65 -18.507 -5.260 2.107 1.00 0.00 H new ATOM 0 HB THR A 65 -20.607 -3.275 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 65 -20.781 -4.881 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 65 -22.205 -5.150 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 65 -21.498 -4.692 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 65 -20.920 -6.147 2.091 1.00 0.00 H new ATOM 990 N GLY A 66 -20.395 -3.233 0.439 1.00 0.00 N ATOM 991 CA GLY A 66 -20.736 -2.820 -0.951 1.00 0.00 C ATOM 992 C GLY A 66 -20.402 -3.967 -1.904 1.00 0.00 C ATOM 993 O GLY A 66 -21.090 -4.967 -1.946 1.00 0.00 O ATOM 0 H GLY A 66 -21.093 -3.003 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.794 -2.568 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.177 -1.926 -1.227 1.00 0.00 H new ATOM 997 N ALA A 67 -19.341 -3.832 -2.657 1.00 0.00 N ATOM 998 CA ALA A 67 -18.944 -4.915 -3.602 1.00 0.00 C ATOM 999 C ALA A 67 -18.037 -4.335 -4.691 1.00 0.00 C ATOM 1000 O ALA A 67 -18.471 -3.577 -5.536 1.00 0.00 O ATOM 1001 CB ALA A 67 -20.191 -5.520 -4.248 1.00 0.00 C ATOM 0 H ALA A 67 -18.731 -3.015 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 67 -18.409 -5.691 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -19.896 -6.311 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.837 -5.935 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.730 -4.746 -4.793 1.00 0.00 H new ATOM 1007 N SER A 68 -16.779 -4.686 -4.677 1.00 0.00 N ATOM 1008 CA SER A 68 -15.844 -4.156 -5.711 1.00 0.00 C ATOM 1009 C SER A 68 -14.408 -4.544 -5.346 1.00 0.00 C ATOM 1010 O SER A 68 -13.877 -5.521 -5.835 1.00 0.00 O ATOM 1011 CB SER A 68 -15.965 -2.633 -5.773 1.00 0.00 C ATOM 1012 OG SER A 68 -16.886 -2.276 -6.796 1.00 0.00 O ATOM 0 H SER A 68 -16.359 -5.317 -3.994 1.00 0.00 H new ATOM 0 HA SER A 68 -16.097 -4.579 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.302 -2.244 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.991 -2.187 -5.973 1.00 0.00 H new ATOM 0 HG SER A 68 -17.675 -2.855 -6.743 1.00 0.00 H new ATOM 1018 N GLY A 69 -13.776 -3.789 -4.488 1.00 0.00 N ATOM 1019 CA GLY A 69 -12.376 -4.121 -4.094 1.00 0.00 C ATOM 1020 C GLY A 69 -11.462 -2.928 -4.376 1.00 0.00 C ATOM 1021 O GLY A 69 -11.072 -2.683 -5.501 1.00 0.00 O ATOM 0 H GLY A 69 -14.167 -2.958 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.338 -4.378 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.030 -4.994 -4.647 1.00 0.00 H new ATOM 1025 N SER A 70 -11.116 -2.182 -3.363 1.00 0.00 N ATOM 1026 CA SER A 70 -10.227 -1.003 -3.568 1.00 0.00 C ATOM 1027 C SER A 70 -9.858 -0.406 -2.208 1.00 0.00 C ATOM 1028 O SER A 70 -10.666 -0.359 -1.307 1.00 0.00 O ATOM 1029 CB SER A 70 -10.962 0.041 -4.406 1.00 0.00 C ATOM 1030 OG SER A 70 -12.363 -0.175 -4.298 1.00 0.00 O ATOM 0 H SER A 70 -11.411 -2.338 -2.399 1.00 0.00 H new ATOM 0 HA SER A 70 -9.319 -1.310 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.709 1.044 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.651 -0.027 -5.448 1.00 0.00 H new ATOM 0 HG SER A 70 -12.803 0.116 -5.124 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.633 0.024 -2.044 1.00 0.00 N ATOM 1037 CA PHE A 71 -8.197 0.596 -0.741 1.00 0.00 C ATOM 1038 C PHE A 71 -9.010 1.860 -0.444 1.00 0.00 C ATOM 1039 O PHE A 71 -9.130 2.743 -1.270 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.696 0.928 -0.792 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.885 -0.295 -1.152 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.495 -1.487 -1.579 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -4.500 -0.228 -1.048 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -5.714 -2.595 -1.896 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -3.724 -1.337 -1.362 1.00 0.00 C ATOM 1046 CZ PHE A 71 -4.330 -2.521 -1.788 1.00 0.00 C ATOM 0 H PHE A 71 -7.912 0.002 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.366 -0.132 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.518 1.716 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.372 1.313 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.570 -1.543 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.027 0.687 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.183 -3.511 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.649 -1.283 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.723 -3.380 -2.034 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.560 1.954 0.738 1.00 0.00 N ATOM 1057 CA ARG A 72 -10.358 3.160 1.108 1.00 0.00 C ATOM 1058 C ARG A 72 -9.680 3.784 2.311 1.00 0.00 C ATOM 1059 O ARG A 72 -10.306 4.347 3.188 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.784 2.751 1.485 1.00 0.00 C ATOM 1061 CG ARG A 72 -12.694 2.881 0.264 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.353 1.779 -0.737 1.00 0.00 C ATOM 1063 NE ARG A 72 -12.202 2.371 -2.096 1.00 0.00 N ATOM 1064 CZ ARG A 72 -13.226 2.937 -2.678 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -13.515 4.184 -2.425 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -13.954 2.259 -3.522 1.00 0.00 N ATOM 0 H ARG A 72 -9.490 1.244 1.467 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.411 3.859 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.794 1.724 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.152 3.382 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.739 2.805 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.566 3.860 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.431 1.278 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.138 1.023 -0.743 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.300 2.335 -2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.941 4.718 -1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.315 4.625 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.724 1.287 -3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.753 2.701 -3.976 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.395 3.640 2.364 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.625 4.162 3.507 1.00 0.00 C ATOM 1082 C LEU A 73 -8.317 3.754 4.804 1.00 0.00 C ATOM 1083 O LEU A 73 -8.877 2.682 4.899 1.00 0.00 O ATOM 1084 CB LEU A 73 -7.488 5.682 3.436 1.00 0.00 C ATOM 1085 CG LEU A 73 -6.056 6.093 3.834 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.435 5.092 4.814 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -5.186 6.130 2.592 1.00 0.00 C ATOM 0 H LEU A 73 -7.837 3.173 1.649 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.621 3.739 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.710 6.030 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.211 6.154 4.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.111 7.071 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.426 5.414 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.043 5.043 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.394 4.106 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.172 6.420 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.169 5.143 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.592 6.854 1.885 1.00 0.00 H new ATOM 1099 N SER A 74 -8.277 4.576 5.812 1.00 0.00 N ATOM 1100 CA SER A 74 -8.924 4.185 7.085 1.00 0.00 C ATOM 1101 C SER A 74 -10.334 4.776 7.151 1.00 0.00 C ATOM 1102 O SER A 74 -11.087 4.508 8.066 1.00 0.00 O ATOM 1103 CB SER A 74 -8.094 4.707 8.259 1.00 0.00 C ATOM 1104 OG SER A 74 -7.678 6.039 7.986 1.00 0.00 O ATOM 0 H SER A 74 -7.828 5.492 5.808 1.00 0.00 H new ATOM 0 HA SER A 74 -8.988 3.098 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.682 4.678 9.176 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.225 4.068 8.418 1.00 0.00 H new ATOM 0 HG SER A 74 -7.147 6.377 8.738 1.00 0.00 H new ATOM 1110 N LYS A 75 -10.697 5.585 6.191 1.00 0.00 N ATOM 1111 CA LYS A 75 -12.055 6.194 6.210 1.00 0.00 C ATOM 1112 C LYS A 75 -12.536 6.422 4.775 1.00 0.00 C ATOM 1113 O LYS A 75 -12.154 7.424 4.194 1.00 0.00 O ATOM 1114 CB LYS A 75 -11.995 7.532 6.950 1.00 0.00 C ATOM 1115 CG LYS A 75 -13.392 8.150 7.007 1.00 0.00 C ATOM 1116 CD LYS A 75 -13.556 8.910 8.325 1.00 0.00 C ATOM 1117 CE LYS A 75 -14.359 10.189 8.081 1.00 0.00 C ATOM 1118 NZ LYS A 75 -15.784 9.838 7.821 1.00 0.00 N ATOM 1119 OXT LYS A 75 -13.279 5.589 4.282 1.00 0.00 O ATOM 0 H LYS A 75 -10.112 5.849 5.398 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.749 5.525 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.610 7.384 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.307 8.209 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.538 8.825 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.150 7.371 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.064 8.283 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.578 9.156 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.287 10.847 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.947 10.734 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.341 10.709 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.848 9.268 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.159 9.292 8.623 1.00 0.00 H new TER 1133 LYS A 75