USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 61 SER OG : rot 68:sc= -0.685 USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -1.67 F(o=-5.8!,f=-2.4) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 ASN :FLIP amide:sc= -0.784 F(o=-3.2!,f=-0.78) USER MOD Set 3.1: A 29 THR OG1 : rot 81:sc= -0.68 USER MOD Set 3.2: A 32 CYS SG : rot 180:sc= -1.6 USER MOD Set 3.3: A 34 MET CE :methyl -167:sc= -0.944 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -149:sc= -2.9! (180deg=-5.2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0592 (180deg=-0.484) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -0.0491 (180deg=-0.108) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0929 (180deg=-0.428) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.106 K(o=0.11,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.081) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.077 (180deg=-0.789) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.253 (180deg=-1.1) USER MOD Single : A 45 GLN : amide:sc= -0.0934 K(o=-0.093,f=-1.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0165 (180deg=-0.238) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -17:sc= -0.284! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -14:sc= -2.19! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5!) USER MOD Single : A 86 GLN : amide:sc= -0.0507 K(o=-0.051,f=-2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -115:sc= 0.29 (180deg=-0.544) USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -0.19 (180deg=-0.909) USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0729 (180deg=-0.762) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -120:sc= -0.862 USER MOD Single : B 8 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 91.393 14.930 -8.759 1.00 0.00 N ATOM 2 CA LEU A 1 91.339 13.521 -9.241 1.00 0.00 C ATOM 3 C LEU A 1 90.498 12.691 -8.274 1.00 0.00 C ATOM 4 O LEU A 1 90.904 11.639 -7.824 1.00 0.00 O ATOM 5 CB LEU A 1 92.758 12.940 -9.310 1.00 0.00 C ATOM 6 CG LEU A 1 93.546 13.583 -10.469 1.00 0.00 C ATOM 7 CD1 LEU A 1 94.049 14.979 -10.071 1.00 0.00 C ATOM 8 CD2 LEU A 1 94.749 12.700 -10.814 1.00 0.00 C ATOM 0 H1 LEU A 1 91.471 15.573 -9.573 1.00 0.00 H new ATOM 0 H2 LEU A 1 90.526 15.148 -8.227 1.00 0.00 H new ATOM 0 H3 LEU A 1 92.220 15.054 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 1 90.892 13.495 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 1 93.276 13.116 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 1 92.709 11.860 -9.450 1.00 0.00 H new ATOM 0 HG LEU A 1 92.885 13.676 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 1 94.603 15.417 -10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 1 93.199 15.616 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 1 94.703 14.896 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 1 95.309 13.151 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 1 95.395 12.608 -9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 1 94.401 11.712 -11.114 1.00 0.00 H new ATOM 22 N LYS A 2 89.325 13.160 -7.952 1.00 0.00 N ATOM 23 CA LYS A 2 88.449 12.410 -7.018 1.00 0.00 C ATOM 24 C LYS A 2 87.943 11.143 -7.708 1.00 0.00 C ATOM 25 O LYS A 2 87.047 10.478 -7.229 1.00 0.00 O ATOM 26 CB LYS A 2 87.264 13.292 -6.624 1.00 0.00 C ATOM 27 CG LYS A 2 87.716 14.332 -5.598 1.00 0.00 C ATOM 28 CD LYS A 2 88.927 15.106 -6.129 1.00 0.00 C ATOM 29 CE LYS A 2 89.112 16.391 -5.320 1.00 0.00 C ATOM 30 NZ LYS A 2 90.238 17.179 -5.895 1.00 0.00 N ATOM 0 H LYS A 2 88.936 14.036 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 2 89.009 12.135 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 2 86.859 13.789 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 2 86.465 12.679 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 2 86.899 15.022 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 87.972 13.840 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 2 89.823 14.490 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 2 88.784 15.345 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 2 88.195 16.980 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 2 89.317 16.151 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 90.366 18.053 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 91.111 16.616 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 90.024 17.419 -6.884 1.00 0.00 H new ATOM 44 N THR A 3 88.512 10.804 -8.834 1.00 0.00 N ATOM 45 CA THR A 3 88.063 9.580 -9.555 1.00 0.00 C ATOM 46 C THR A 3 89.035 9.277 -10.696 1.00 0.00 C ATOM 47 O THR A 3 88.669 9.288 -11.855 1.00 0.00 O ATOM 48 CB THR A 3 86.661 9.805 -10.125 1.00 0.00 C ATOM 49 OG1 THR A 3 86.389 8.820 -11.112 1.00 0.00 O ATOM 50 CG2 THR A 3 86.581 11.196 -10.754 1.00 0.00 C ATOM 0 H THR A 3 89.267 11.321 -9.284 1.00 0.00 H new ATOM 0 HA THR A 3 88.040 8.739 -8.862 1.00 0.00 H new ATOM 0 HB THR A 3 85.926 9.729 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 3 86.971 8.964 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 3 85.582 11.355 -11.160 1.00 0.00 H new ATOM 0 HG22 THR A 3 86.789 11.951 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 3 87.315 11.275 -11.556 1.00 0.00 H new ATOM 58 N TYR A 4 90.273 9.005 -10.371 1.00 0.00 N ATOM 59 CA TYR A 4 91.293 8.694 -11.422 1.00 0.00 C ATOM 60 C TYR A 4 92.072 7.441 -11.015 1.00 0.00 C ATOM 61 O TYR A 4 92.848 7.457 -10.080 1.00 0.00 O ATOM 62 CB TYR A 4 92.257 9.875 -11.553 1.00 0.00 C ATOM 63 CG TYR A 4 93.039 9.750 -12.840 1.00 0.00 C ATOM 64 CD1 TYR A 4 94.080 8.821 -12.940 1.00 0.00 C ATOM 65 CD2 TYR A 4 92.720 10.563 -13.932 1.00 0.00 C ATOM 66 CE1 TYR A 4 94.804 8.706 -14.133 1.00 0.00 C ATOM 67 CE2 TYR A 4 93.442 10.449 -15.126 1.00 0.00 C ATOM 68 CZ TYR A 4 94.485 9.520 -15.226 1.00 0.00 C ATOM 69 OH TYR A 4 95.198 9.408 -16.402 1.00 0.00 O ATOM 0 H TYR A 4 90.625 8.985 -9.414 1.00 0.00 H new ATOM 0 HA TYR A 4 90.797 8.520 -12.377 1.00 0.00 H new ATOM 0 HB2 TYR A 4 91.702 10.813 -11.542 1.00 0.00 H new ATOM 0 HB3 TYR A 4 92.938 9.898 -10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 4 94.325 8.192 -12.097 1.00 0.00 H new ATOM 0 HD2 TYR A 4 91.916 11.280 -13.854 1.00 0.00 H new ATOM 0 HE1 TYR A 4 95.608 7.989 -14.210 1.00 0.00 H new ATOM 0 HE2 TYR A 4 93.195 11.077 -15.969 1.00 0.00 H new ATOM 0 HH TYR A 4 94.847 10.045 -17.059 1.00 0.00 H new ATOM 79 N GLY A 5 91.872 6.355 -11.711 1.00 0.00 N ATOM 80 CA GLY A 5 92.601 5.102 -11.365 1.00 0.00 C ATOM 81 C GLY A 5 91.953 4.450 -10.144 1.00 0.00 C ATOM 82 O GLY A 5 92.370 3.403 -9.690 1.00 0.00 O ATOM 0 H GLY A 5 91.235 6.281 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 5 92.582 4.414 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 5 93.648 5.324 -11.158 1.00 0.00 H new ATOM 86 N VAL A 6 90.933 5.062 -9.607 1.00 0.00 N ATOM 87 CA VAL A 6 90.251 4.483 -8.412 1.00 0.00 C ATOM 88 C VAL A 6 89.143 3.533 -8.869 1.00 0.00 C ATOM 89 O VAL A 6 88.316 3.877 -9.690 1.00 0.00 O ATOM 90 CB VAL A 6 89.642 5.611 -7.579 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.240 5.070 -6.208 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.675 6.726 -7.403 1.00 0.00 C ATOM 0 H VAL A 6 90.541 5.941 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 6 90.975 3.935 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 6 88.762 6.006 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.806 5.873 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.507 4.273 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.120 4.677 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.243 7.532 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.554 6.331 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.965 7.111 -8.381 1.00 0.00 H new ATOM 102 N SER A 7 89.119 2.336 -8.346 1.00 0.00 N ATOM 103 CA SER A 7 88.067 1.361 -8.752 1.00 0.00 C ATOM 104 C SER A 7 86.855 1.495 -7.828 1.00 0.00 C ATOM 105 O SER A 7 86.944 1.300 -6.634 1.00 0.00 O ATOM 106 CB SER A 7 88.626 -0.055 -8.654 1.00 0.00 C ATOM 107 OG SER A 7 89.950 -0.073 -9.171 1.00 0.00 O ATOM 0 H SER A 7 89.784 1.991 -7.654 1.00 0.00 H new ATOM 0 HA SER A 7 87.762 1.565 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.624 -0.388 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.996 -0.747 -9.212 1.00 0.00 H new ATOM 0 HG SER A 7 90.313 -0.981 -9.108 1.00 0.00 H new ATOM 113 N PHE A 8 85.724 1.822 -8.384 1.00 0.00 N ATOM 114 CA PHE A 8 84.482 1.977 -7.565 1.00 0.00 C ATOM 115 C PHE A 8 83.710 0.652 -7.549 1.00 0.00 C ATOM 116 O PHE A 8 83.622 -0.035 -8.547 1.00 0.00 O ATOM 117 CB PHE A 8 83.610 3.062 -8.196 1.00 0.00 C ATOM 118 CG PHE A 8 83.342 2.722 -9.643 1.00 0.00 C ATOM 119 CD1 PHE A 8 82.341 1.800 -9.971 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.092 3.330 -10.658 1.00 0.00 C ATOM 121 CE1 PHE A 8 82.090 1.485 -11.312 1.00 0.00 C ATOM 122 CE2 PHE A 8 83.841 3.016 -11.999 1.00 0.00 C ATOM 123 CZ PHE A 8 82.839 2.094 -12.326 1.00 0.00 C ATOM 0 H PHE A 8 85.601 1.991 -9.382 1.00 0.00 H new ATOM 0 HA PHE A 8 84.744 2.254 -6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.669 3.148 -7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 8 84.108 4.029 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 8 81.762 1.331 -9.189 1.00 0.00 H new ATOM 0 HD2 PHE A 8 84.864 4.041 -10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 8 81.319 0.772 -11.564 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.420 3.485 -12.781 1.00 0.00 H new ATOM 0 HZ PHE A 8 82.644 1.853 -13.360 1.00 0.00 H new ATOM 133 N PHE A 9 83.144 0.293 -6.419 1.00 0.00 N ATOM 134 CA PHE A 9 82.362 -0.985 -6.315 1.00 0.00 C ATOM 135 C PHE A 9 80.952 -0.660 -5.811 1.00 0.00 C ATOM 136 O PHE A 9 80.782 0.030 -4.826 1.00 0.00 O ATOM 137 CB PHE A 9 83.053 -1.927 -5.313 1.00 0.00 C ATOM 138 CG PHE A 9 84.174 -2.684 -5.992 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.391 -2.045 -6.255 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.995 -4.026 -6.354 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.430 -2.748 -6.879 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.034 -4.728 -6.978 1.00 0.00 C ATOM 143 CZ PHE A 9 86.251 -4.089 -7.240 1.00 0.00 C ATOM 0 H PHE A 9 83.190 0.835 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 9 82.309 -1.468 -7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.448 -1.352 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.327 -2.629 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.529 -1.011 -5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.056 -4.519 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.369 -2.255 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.896 -5.762 -7.257 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.052 -4.630 -7.721 1.00 0.00 H new ATOM 153 N LEU A 10 79.938 -1.154 -6.470 1.00 0.00 N ATOM 154 CA LEU A 10 78.550 -0.868 -6.011 1.00 0.00 C ATOM 155 C LEU A 10 78.226 -1.744 -4.812 1.00 0.00 C ATOM 156 O LEU A 10 77.948 -2.920 -4.939 1.00 0.00 O ATOM 157 CB LEU A 10 77.547 -1.154 -7.139 1.00 0.00 C ATOM 158 CG LEU A 10 76.078 -0.972 -6.629 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.300 -0.036 -7.562 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.353 -2.327 -6.592 1.00 0.00 C ATOM 0 H LEU A 10 80.011 -1.740 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 10 78.478 0.183 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.733 -0.482 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.686 -2.170 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 10 76.123 -0.545 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.281 0.080 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.789 0.938 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.277 -0.460 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.333 -2.184 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.330 -2.755 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.881 -3.004 -5.920 1.00 0.00 H new ATOM 172 N VAL A 11 78.244 -1.162 -3.645 1.00 0.00 N ATOM 173 CA VAL A 11 77.919 -1.918 -2.405 1.00 0.00 C ATOM 174 C VAL A 11 76.642 -1.326 -1.827 1.00 0.00 C ATOM 175 O VAL A 11 76.345 -0.166 -2.038 1.00 0.00 O ATOM 176 CB VAL A 11 79.064 -1.776 -1.397 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.386 -2.178 -2.063 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.157 -0.323 -0.915 1.00 0.00 C ATOM 0 H VAL A 11 78.474 -0.179 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 11 77.784 -2.977 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 11 78.872 -2.426 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.200 -2.077 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.324 -3.213 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.574 -1.530 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.973 -0.229 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.344 0.331 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.220 -0.038 -0.437 1.00 0.00 H new ATOM 188 N LYS A 12 75.882 -2.103 -1.107 1.00 0.00 N ATOM 189 CA LYS A 12 74.612 -1.579 -0.518 1.00 0.00 C ATOM 190 C LYS A 12 74.805 -1.415 0.987 1.00 0.00 C ATOM 191 O LYS A 12 75.506 -2.180 1.620 1.00 0.00 O ATOM 192 CB LYS A 12 73.467 -2.572 -0.820 1.00 0.00 C ATOM 193 CG LYS A 12 72.563 -2.020 -1.930 1.00 0.00 C ATOM 194 CD LYS A 12 71.629 -3.125 -2.417 1.00 0.00 C ATOM 195 CE LYS A 12 70.806 -2.615 -3.599 1.00 0.00 C ATOM 196 NZ LYS A 12 71.703 -2.391 -4.767 1.00 0.00 N ATOM 0 H LYS A 12 76.084 -3.081 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 12 74.355 -0.612 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.881 -3.534 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.881 -2.747 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.983 -1.176 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.168 -1.649 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.208 -4.000 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.968 -3.439 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.031 -3.337 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.301 -1.687 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.143 -2.411 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.169 -1.466 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.424 -3.140 -4.800 1.00 0.00 H new ATOM 210 N GLU A 13 74.191 -0.411 1.554 1.00 0.00 N ATOM 211 CA GLU A 13 74.328 -0.159 3.022 1.00 0.00 C ATOM 212 C GLU A 13 72.981 -0.369 3.705 1.00 0.00 C ATOM 213 O GLU A 13 71.942 -0.350 3.074 1.00 0.00 O ATOM 214 CB GLU A 13 74.782 1.281 3.255 1.00 0.00 C ATOM 215 CG GLU A 13 76.114 1.523 2.543 1.00 0.00 C ATOM 216 CD GLU A 13 76.763 2.802 3.080 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.252 3.346 4.045 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.762 3.216 2.515 1.00 0.00 O ATOM 0 H GLU A 13 73.594 0.253 1.060 1.00 0.00 H new ATOM 0 HA GLU A 13 75.063 -0.849 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.028 1.975 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.890 1.470 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.779 0.674 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.952 1.610 1.469 1.00 0.00 H new ATOM 225 N LYS A 14 72.997 -0.564 4.996 1.00 0.00 N ATOM 226 CA LYS A 14 71.731 -0.775 5.759 1.00 0.00 C ATOM 227 C LYS A 14 71.453 0.470 6.604 1.00 0.00 C ATOM 228 O LYS A 14 72.099 0.714 7.605 1.00 0.00 O ATOM 229 CB LYS A 14 71.887 -1.996 6.683 1.00 0.00 C ATOM 230 CG LYS A 14 71.591 -3.286 5.909 1.00 0.00 C ATOM 231 CD LYS A 14 72.419 -3.325 4.617 1.00 0.00 C ATOM 232 CE LYS A 14 72.551 -4.771 4.128 1.00 0.00 C ATOM 233 NZ LYS A 14 73.575 -5.481 4.944 1.00 0.00 N ATOM 0 H LYS A 14 73.845 -0.586 5.563 1.00 0.00 H new ATOM 0 HA LYS A 14 70.905 -0.949 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.899 -2.029 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.208 -1.908 7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.825 -4.153 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.529 -3.342 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.942 -2.714 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.407 -2.900 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 14 71.591 -5.281 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.835 -4.786 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.327 -6.489 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.507 -5.383 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.607 -5.067 5.898 1.00 0.00 H new ATOM 247 N MET A 15 70.500 1.257 6.204 1.00 0.00 N ATOM 248 CA MET A 15 70.171 2.489 6.968 1.00 0.00 C ATOM 249 C MET A 15 69.545 2.100 8.315 1.00 0.00 C ATOM 250 O MET A 15 68.945 1.053 8.441 1.00 0.00 O ATOM 251 CB MET A 15 69.192 3.328 6.134 1.00 0.00 C ATOM 252 CG MET A 15 69.958 4.292 5.218 1.00 0.00 C ATOM 253 SD MET A 15 71.417 3.462 4.521 1.00 0.00 S ATOM 254 CE MET A 15 72.625 4.776 4.828 1.00 0.00 C ATOM 0 H MET A 15 69.929 1.099 5.374 1.00 0.00 H new ATOM 0 HA MET A 15 71.070 3.073 7.164 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.560 2.672 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.532 3.891 6.794 1.00 0.00 H new ATOM 0 HG2 MET A 15 69.307 4.637 4.414 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.265 5.174 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 15 73.604 4.461 4.467 1.00 0.00 H new ATOM 0 HE2 MET A 15 72.319 5.681 4.304 1.00 0.00 H new ATOM 0 HE3 MET A 15 72.680 4.977 5.898 1.00 0.00 H new ATOM 264 N LYS A 16 69.723 2.950 9.312 1.00 0.00 N ATOM 265 CA LYS A 16 69.205 2.711 10.713 1.00 0.00 C ATOM 266 C LYS A 16 68.565 1.328 10.868 1.00 0.00 C ATOM 267 O LYS A 16 69.116 0.443 11.491 1.00 0.00 O ATOM 268 CB LYS A 16 68.184 3.802 11.098 1.00 0.00 C ATOM 269 CG LYS A 16 68.500 5.121 10.355 1.00 0.00 C ATOM 270 CD LYS A 16 67.697 5.211 9.030 1.00 0.00 C ATOM 271 CE LYS A 16 66.439 6.072 9.223 1.00 0.00 C ATOM 272 NZ LYS A 16 65.519 5.398 10.181 1.00 0.00 N ATOM 0 H LYS A 16 70.225 3.832 9.208 1.00 0.00 H new ATOM 0 HA LYS A 16 70.063 2.755 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 67.176 3.470 10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.209 3.969 12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.256 5.971 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.568 5.178 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.322 5.640 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.414 4.211 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.714 7.058 9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.938 6.223 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.577 5.834 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.449 4.388 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.888 5.501 11.148 1.00 0.00 H new ATOM 286 N GLY A 17 67.404 1.142 10.309 1.00 0.00 N ATOM 287 CA GLY A 17 66.722 -0.176 10.424 1.00 0.00 C ATOM 288 C GLY A 17 65.848 -0.409 9.196 1.00 0.00 C ATOM 289 O GLY A 17 65.140 -1.392 9.110 1.00 0.00 O ATOM 0 H GLY A 17 66.896 1.848 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 17 67.461 -0.972 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 17 66.112 -0.204 11.327 1.00 0.00 H new ATOM 293 N LYS A 18 65.884 0.482 8.240 1.00 0.00 N ATOM 294 CA LYS A 18 65.036 0.279 7.026 1.00 0.00 C ATOM 295 C LYS A 18 65.240 -1.137 6.501 1.00 0.00 C ATOM 296 O LYS A 18 66.345 -1.539 6.192 1.00 0.00 O ATOM 297 CB LYS A 18 65.417 1.281 5.917 1.00 0.00 C ATOM 298 CG LYS A 18 65.818 2.618 6.532 1.00 0.00 C ATOM 299 CD LYS A 18 64.700 3.152 7.441 1.00 0.00 C ATOM 300 CE LYS A 18 63.398 3.310 6.647 1.00 0.00 C ATOM 301 NZ LYS A 18 62.518 4.298 7.334 1.00 0.00 N ATOM 0 H LYS A 18 66.453 1.328 8.244 1.00 0.00 H new ATOM 0 HA LYS A 18 63.994 0.437 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 18 66.241 0.883 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 64.575 1.422 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.736 2.499 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.028 3.339 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 18 64.544 2.469 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 18 64.994 4.112 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 18 63.616 3.644 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 18 62.890 2.349 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 61.634 4.407 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 62.301 3.961 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 63.004 5.216 7.391 1.00 0.00 H new ATOM 315 N ASN A 19 64.187 -1.885 6.349 1.00 0.00 N ATOM 316 CA ASN A 19 64.345 -3.248 5.789 1.00 0.00 C ATOM 317 C ASN A 19 64.931 -3.073 4.398 1.00 0.00 C ATOM 318 O ASN A 19 65.319 -4.010 3.730 1.00 0.00 O ATOM 319 CB ASN A 19 62.982 -3.922 5.687 1.00 0.00 C ATOM 320 CG ASN A 19 61.964 -2.929 5.123 1.00 0.00 C ATOM 321 OD1 ASN A 19 61.324 -2.210 5.865 1.00 0.00 O ATOM 322 ND2 ASN A 19 61.786 -2.859 3.832 1.00 0.00 N ATOM 0 H ASN A 19 63.233 -1.614 6.586 1.00 0.00 H new ATOM 0 HA ASN A 19 64.986 -3.865 6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 19 63.045 -4.799 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 19 62.662 -4.270 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 19 61.110 -2.201 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 19 62.323 -3.463 3.210 1.00 0.00 H new ATOM 329 N LYS A 20 64.981 -1.844 3.975 1.00 0.00 N ATOM 330 CA LYS A 20 65.520 -1.511 2.637 1.00 0.00 C ATOM 331 C LYS A 20 67.051 -1.505 2.680 1.00 0.00 C ATOM 332 O LYS A 20 67.667 -1.830 3.674 1.00 0.00 O ATOM 333 CB LYS A 20 64.994 -0.115 2.231 1.00 0.00 C ATOM 334 CG LYS A 20 64.436 -0.139 0.800 1.00 0.00 C ATOM 335 CD LYS A 20 63.024 -0.758 0.790 1.00 0.00 C ATOM 336 CE LYS A 20 61.970 0.325 1.050 1.00 0.00 C ATOM 337 NZ LYS A 20 61.762 1.121 -0.193 1.00 0.00 N ATOM 0 H LYS A 20 64.663 -1.040 4.516 1.00 0.00 H new ATOM 0 HA LYS A 20 65.198 -2.254 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.215 0.201 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.799 0.617 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.400 0.874 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 65.098 -0.715 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.835 -1.236 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.954 -1.535 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 20 61.032 -0.133 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 20 62.294 0.976 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 60.896 1.690 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 62.576 1.751 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 61.668 0.478 -1.005 1.00 0.00 H new ATOM 351 N LEU A 21 67.648 -1.116 1.590 1.00 0.00 N ATOM 352 CA LEU A 21 69.138 -1.047 1.489 1.00 0.00 C ATOM 353 C LEU A 21 69.487 0.236 0.739 1.00 0.00 C ATOM 354 O LEU A 21 68.666 0.770 0.019 1.00 0.00 O ATOM 355 CB LEU A 21 69.691 -2.248 0.698 1.00 0.00 C ATOM 356 CG LEU A 21 69.057 -3.567 1.174 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.324 -4.667 0.144 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.675 -3.981 2.509 1.00 0.00 C ATOM 0 H LEU A 21 67.156 -0.835 0.742 1.00 0.00 H new ATOM 0 HA LEU A 21 69.574 -1.063 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.493 -2.109 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.773 -2.298 0.817 1.00 0.00 H new ATOM 0 HG LEU A 21 67.983 -3.423 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.874 -5.600 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.889 -4.382 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.399 -4.804 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.225 -4.915 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.749 -4.120 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.493 -3.204 3.251 1.00 0.00 H new ATOM 370 N VAL A 22 70.687 0.741 0.894 1.00 0.00 N ATOM 371 CA VAL A 22 71.074 2.004 0.175 1.00 0.00 C ATOM 372 C VAL A 22 72.327 1.739 -0.703 1.00 0.00 C ATOM 373 O VAL A 22 73.387 1.497 -0.162 1.00 0.00 O ATOM 374 CB VAL A 22 71.406 3.079 1.234 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.243 4.207 0.611 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.107 3.677 1.801 1.00 0.00 C ATOM 0 H VAL A 22 71.415 0.338 1.484 1.00 0.00 H new ATOM 0 HA VAL A 22 70.257 2.340 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 22 71.976 2.606 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.468 4.955 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.174 3.796 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.682 4.671 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.350 4.434 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.534 4.134 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.515 2.888 2.265 1.00 0.00 H new ATOM 386 N PRO A 23 72.205 1.819 -2.028 1.00 0.00 N ATOM 387 CA PRO A 23 73.371 1.616 -2.915 1.00 0.00 C ATOM 388 C PRO A 23 74.487 2.613 -2.577 1.00 0.00 C ATOM 389 O PRO A 23 74.240 3.731 -2.170 1.00 0.00 O ATOM 390 CB PRO A 23 72.828 1.866 -4.339 1.00 0.00 C ATOM 391 CG PRO A 23 71.285 1.857 -4.239 1.00 0.00 C ATOM 392 CD PRO A 23 70.934 2.072 -2.753 1.00 0.00 C ATOM 0 HA PRO A 23 73.803 0.621 -2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.184 2.821 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.175 1.094 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.853 2.645 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.880 0.911 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.570 3.084 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.149 1.389 -2.428 1.00 0.00 H new ATOM 400 N ARG A 24 75.711 2.206 -2.755 1.00 0.00 N ATOM 401 CA ARG A 24 76.861 3.106 -2.461 1.00 0.00 C ATOM 402 C ARG A 24 78.048 2.672 -3.324 1.00 0.00 C ATOM 403 O ARG A 24 78.220 1.503 -3.600 1.00 0.00 O ATOM 404 CB ARG A 24 77.224 2.992 -0.973 1.00 0.00 C ATOM 405 CG ARG A 24 78.098 4.185 -0.538 1.00 0.00 C ATOM 406 CD ARG A 24 77.210 5.368 -0.125 1.00 0.00 C ATOM 407 NE ARG A 24 76.606 5.097 1.209 1.00 0.00 N ATOM 408 CZ ARG A 24 76.077 6.072 1.899 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.090 7.289 1.425 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.536 5.831 3.062 1.00 0.00 N ATOM 0 H ARG A 24 75.967 1.279 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 24 76.603 4.141 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.315 2.961 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.757 2.058 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.738 3.892 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.755 4.482 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.800 6.284 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.426 5.523 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 24 76.605 4.149 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.513 7.478 0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.677 8.050 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.526 4.881 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.123 6.593 3.600 1.00 0.00 H new ATOM 424 N LEU A 25 78.876 3.594 -3.739 1.00 0.00 N ATOM 425 CA LEU A 25 80.065 3.228 -4.565 1.00 0.00 C ATOM 426 C LEU A 25 81.292 3.294 -3.650 1.00 0.00 C ATOM 427 O LEU A 25 81.391 4.165 -2.808 1.00 0.00 O ATOM 428 CB LEU A 25 80.203 4.225 -5.721 1.00 0.00 C ATOM 429 CG LEU A 25 79.079 4.020 -6.756 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.985 5.255 -7.660 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.364 2.794 -7.635 1.00 0.00 C ATOM 0 H LEU A 25 78.780 4.590 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 25 79.964 2.228 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.167 5.244 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.173 4.100 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 25 78.143 3.867 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.190 5.110 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.765 6.134 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.933 5.400 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.558 2.669 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.306 2.937 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.431 1.905 -7.008 1.00 0.00 H new ATOM 443 N LEU A 26 82.209 2.365 -3.781 1.00 0.00 N ATOM 444 CA LEU A 26 83.419 2.348 -2.891 1.00 0.00 C ATOM 445 C LEU A 26 84.694 2.412 -3.737 1.00 0.00 C ATOM 446 O LEU A 26 85.067 1.467 -4.401 1.00 0.00 O ATOM 447 CB LEU A 26 83.397 1.048 -2.074 1.00 0.00 C ATOM 448 CG LEU A 26 84.525 1.042 -1.024 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.158 1.937 0.169 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.741 -0.389 -0.519 1.00 0.00 C ATOM 0 H LEU A 26 82.173 1.613 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 26 83.405 3.211 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.432 0.941 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.510 0.193 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 26 85.434 1.422 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 26 84.967 1.920 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.003 2.959 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.243 1.568 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.539 -0.396 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.820 -0.758 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.018 -1.032 -1.355 1.00 0.00 H new ATOM 462 N GLY A 27 85.356 3.534 -3.702 1.00 0.00 N ATOM 463 CA GLY A 27 86.609 3.720 -4.487 1.00 0.00 C ATOM 464 C GLY A 27 87.814 3.134 -3.750 1.00 0.00 C ATOM 465 O GLY A 27 88.137 3.532 -2.648 1.00 0.00 O ATOM 0 H GLY A 27 85.076 4.346 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.506 3.241 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.772 4.782 -4.670 1.00 0.00 H new ATOM 469 N ILE A 28 88.500 2.205 -4.371 1.00 0.00 N ATOM 470 CA ILE A 28 89.713 1.598 -3.740 1.00 0.00 C ATOM 471 C ILE A 28 90.949 2.200 -4.407 1.00 0.00 C ATOM 472 O ILE A 28 91.216 1.956 -5.567 1.00 0.00 O ATOM 473 CB ILE A 28 89.715 0.079 -3.964 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.347 -0.508 -3.599 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.795 -0.565 -3.093 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.926 -0.027 -2.210 1.00 0.00 C ATOM 0 H ILE A 28 88.269 1.839 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 28 89.714 1.800 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 28 89.922 -0.125 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.604 -0.207 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.392 -1.597 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.796 -1.643 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.770 -0.158 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.590 -0.354 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.953 -0.449 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.663 -0.350 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.862 1.061 -2.206 1.00 0.00 H new ATOM 488 N THR A 29 91.704 2.993 -3.694 1.00 0.00 N ATOM 489 CA THR A 29 92.917 3.618 -4.300 1.00 0.00 C ATOM 490 C THR A 29 94.143 2.757 -3.993 1.00 0.00 C ATOM 491 O THR A 29 94.085 1.822 -3.218 1.00 0.00 O ATOM 492 CB THR A 29 93.106 5.026 -3.712 1.00 0.00 C ATOM 493 OG1 THR A 29 91.833 5.617 -3.498 1.00 0.00 O ATOM 494 CG2 THR A 29 93.916 5.901 -4.677 1.00 0.00 C ATOM 0 H THR A 29 91.534 3.235 -2.718 1.00 0.00 H new ATOM 0 HA THR A 29 92.794 3.690 -5.381 1.00 0.00 H new ATOM 0 HB THR A 29 93.645 4.948 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.452 5.279 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.042 6.895 -4.248 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.895 5.450 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.388 5.980 -5.627 1.00 0.00 H new ATOM 502 N LYS A 30 95.251 3.067 -4.600 1.00 0.00 N ATOM 503 CA LYS A 30 96.485 2.277 -4.358 1.00 0.00 C ATOM 504 C LYS A 30 97.020 2.564 -2.954 1.00 0.00 C ATOM 505 O LYS A 30 97.817 1.816 -2.422 1.00 0.00 O ATOM 506 CB LYS A 30 97.535 2.673 -5.396 1.00 0.00 C ATOM 507 CG LYS A 30 97.513 4.192 -5.574 1.00 0.00 C ATOM 508 CD LYS A 30 98.770 4.642 -6.322 1.00 0.00 C ATOM 509 CE LYS A 30 98.726 4.119 -7.761 1.00 0.00 C ATOM 510 NZ LYS A 30 99.709 4.868 -8.593 1.00 0.00 N ATOM 0 H LYS A 30 95.355 3.839 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 30 96.261 1.213 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.524 2.346 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.330 2.180 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.623 4.490 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.462 4.681 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 30 98.836 5.730 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.660 4.269 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.956 3.054 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.723 4.236 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.679 4.513 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.470 5.880 -8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.665 4.735 -8.205 1.00 0.00 H new ATOM 524 N GLU A 31 96.597 3.648 -2.356 1.00 0.00 N ATOM 525 CA GLU A 31 97.087 4.001 -0.987 1.00 0.00 C ATOM 526 C GLU A 31 95.926 4.479 -0.112 1.00 0.00 C ATOM 527 O GLU A 31 96.134 5.034 0.948 1.00 0.00 O ATOM 528 CB GLU A 31 98.115 5.127 -1.100 1.00 0.00 C ATOM 529 CG GLU A 31 99.319 4.655 -1.920 1.00 0.00 C ATOM 530 CD GLU A 31 100.541 5.522 -1.600 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.519 6.692 -1.943 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.477 4.999 -1.018 1.00 0.00 O ATOM 0 H GLU A 31 95.930 4.307 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 31 97.537 3.118 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.662 5.999 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.440 5.436 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.535 3.610 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.090 4.713 -2.984 1.00 0.00 H new ATOM 539 N CYS A 32 94.709 4.277 -0.534 1.00 0.00 N ATOM 540 CA CYS A 32 93.567 4.738 0.305 1.00 0.00 C ATOM 541 C CYS A 32 92.242 4.187 -0.243 1.00 0.00 C ATOM 542 O CYS A 32 92.140 3.789 -1.385 1.00 0.00 O ATOM 543 CB CYS A 32 93.528 6.287 0.312 1.00 0.00 C ATOM 544 SG CYS A 32 94.384 6.932 -1.147 1.00 0.00 S ATOM 0 H CYS A 32 94.457 3.820 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 32 93.702 4.370 1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.495 6.633 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.999 6.667 1.218 1.00 0.00 H new ATOM 0 HG CYS A 32 94.345 8.231 -1.134 1.00 0.00 H new ATOM 550 N VAL A 33 91.221 4.200 0.578 1.00 0.00 N ATOM 551 CA VAL A 33 89.867 3.725 0.151 1.00 0.00 C ATOM 552 C VAL A 33 88.913 4.898 0.340 1.00 0.00 C ATOM 553 O VAL A 33 89.073 5.670 1.265 1.00 0.00 O ATOM 554 CB VAL A 33 89.420 2.549 1.030 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.948 2.225 0.748 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.285 1.321 0.726 1.00 0.00 C ATOM 0 H VAL A 33 91.269 4.526 1.543 1.00 0.00 H new ATOM 0 HA VAL A 33 89.881 3.387 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 33 89.535 2.820 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.633 1.390 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.334 3.097 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.829 1.957 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.966 0.487 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.176 1.050 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.330 1.551 0.934 1.00 0.00 H new ATOM 566 N MET A 34 87.943 5.072 -0.528 1.00 0.00 N ATOM 567 CA MET A 34 87.016 6.243 -0.375 1.00 0.00 C ATOM 568 C MET A 34 85.560 5.804 -0.419 1.00 0.00 C ATOM 569 O MET A 34 85.194 4.870 -1.104 1.00 0.00 O ATOM 570 CB MET A 34 87.284 7.244 -1.514 1.00 0.00 C ATOM 571 CG MET A 34 88.770 7.223 -1.890 1.00 0.00 C ATOM 572 SD MET A 34 89.207 8.788 -2.689 1.00 0.00 S ATOM 573 CE MET A 34 90.821 8.277 -3.327 1.00 0.00 C ATOM 0 H MET A 34 87.754 4.464 -1.325 1.00 0.00 H new ATOM 0 HA MET A 34 87.200 6.708 0.593 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.677 6.990 -2.383 1.00 0.00 H new ATOM 0 HB3 MET A 34 86.993 8.247 -1.204 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.380 7.073 -0.999 1.00 0.00 H new ATOM 0 HG3 MET A 34 88.975 6.389 -2.561 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.375 9.155 -3.660 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.380 7.772 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.681 7.596 -4.167 1.00 0.00 H new ATOM 583 N ARG A 35 84.718 6.510 0.290 1.00 0.00 N ATOM 584 CA ARG A 35 83.265 6.173 0.274 1.00 0.00 C ATOM 585 C ARG A 35 82.619 7.042 -0.792 1.00 0.00 C ATOM 586 O ARG A 35 82.543 8.244 -0.652 1.00 0.00 O ATOM 587 CB ARG A 35 82.625 6.504 1.625 1.00 0.00 C ATOM 588 CG ARG A 35 83.017 5.455 2.676 1.00 0.00 C ATOM 589 CD ARG A 35 82.050 5.532 3.868 1.00 0.00 C ATOM 590 NE ARG A 35 81.563 6.932 4.027 1.00 0.00 N ATOM 591 CZ ARG A 35 80.533 7.182 4.790 1.00 0.00 C ATOM 592 NH1 ARG A 35 79.928 6.206 5.409 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.108 8.406 4.934 1.00 0.00 N ATOM 0 H ARG A 35 84.974 7.303 0.878 1.00 0.00 H new ATOM 0 HA ARG A 35 83.128 5.110 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 82.944 7.493 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.540 6.537 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.990 4.458 2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.039 5.627 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.207 4.859 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.552 5.205 4.779 1.00 0.00 H new ATOM 0 HE ARG A 35 82.034 7.694 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.259 5.248 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.124 6.401 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.580 9.170 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.303 8.600 5.530 1.00 0.00 H new ATOM 607 N VAL A 36 82.170 6.449 -1.866 1.00 0.00 N ATOM 608 CA VAL A 36 81.545 7.242 -2.962 1.00 0.00 C ATOM 609 C VAL A 36 80.051 6.934 -3.016 1.00 0.00 C ATOM 610 O VAL A 36 79.642 5.793 -3.091 1.00 0.00 O ATOM 611 CB VAL A 36 82.221 6.869 -4.286 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.603 7.671 -5.439 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.718 7.189 -4.199 1.00 0.00 C ATOM 0 H VAL A 36 82.210 5.443 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 36 81.674 8.309 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 36 82.076 5.805 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.091 7.398 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.538 7.449 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.740 8.737 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.202 6.925 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.852 8.254 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.166 6.616 -3.387 1.00 0.00 H new ATOM 623 N ASP A 37 79.234 7.947 -2.972 1.00 0.00 N ATOM 624 CA ASP A 37 77.767 7.724 -3.013 1.00 0.00 C ATOM 625 C ASP A 37 77.369 7.226 -4.396 1.00 0.00 C ATOM 626 O ASP A 37 77.961 7.584 -5.388 1.00 0.00 O ATOM 627 CB ASP A 37 77.042 9.038 -2.710 1.00 0.00 C ATOM 628 CG ASP A 37 75.587 8.748 -2.335 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.060 7.755 -2.810 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.025 9.522 -1.579 1.00 0.00 O ATOM 0 H ASP A 37 79.522 8.923 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 37 77.490 6.979 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.541 9.560 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.080 9.695 -3.579 1.00 0.00 H new ATOM 635 N GLU A 38 76.361 6.410 -4.469 1.00 0.00 N ATOM 636 CA GLU A 38 75.904 5.894 -5.786 1.00 0.00 C ATOM 637 C GLU A 38 74.871 6.869 -6.315 1.00 0.00 C ATOM 638 O GLU A 38 74.570 6.932 -7.491 1.00 0.00 O ATOM 639 CB GLU A 38 75.275 4.522 -5.566 1.00 0.00 C ATOM 640 CG GLU A 38 75.168 3.754 -6.881 1.00 0.00 C ATOM 641 CD GLU A 38 74.071 4.372 -7.749 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.101 4.854 -7.188 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.219 4.353 -8.960 1.00 0.00 O ATOM 0 H GLU A 38 75.828 6.075 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 38 76.725 5.799 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.874 3.953 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.284 4.638 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.122 3.782 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.943 2.706 -6.684 1.00 0.00 H new ATOM 650 N LYS A 39 74.340 7.631 -5.420 1.00 0.00 N ATOM 651 CA LYS A 39 73.320 8.638 -5.769 1.00 0.00 C ATOM 652 C LYS A 39 73.993 9.831 -6.440 1.00 0.00 C ATOM 653 O LYS A 39 73.615 10.250 -7.516 1.00 0.00 O ATOM 654 CB LYS A 39 72.655 9.090 -4.476 1.00 0.00 C ATOM 655 CG LYS A 39 71.503 10.046 -4.787 1.00 0.00 C ATOM 656 CD LYS A 39 70.927 10.590 -3.479 1.00 0.00 C ATOM 657 CE LYS A 39 69.577 11.255 -3.752 1.00 0.00 C ATOM 658 NZ LYS A 39 69.627 11.958 -5.066 1.00 0.00 N ATOM 0 H LYS A 39 74.578 7.597 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 39 72.583 8.218 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.283 8.225 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.385 9.584 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.856 10.867 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.728 9.527 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.807 9.781 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.616 11.310 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.785 10.506 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.341 11.963 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.851 12.648 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 70.537 12.452 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.528 11.265 -5.835 1.00 0.00 H new ATOM 672 N THR A 40 74.983 10.389 -5.797 1.00 0.00 N ATOM 673 CA THR A 40 75.691 11.573 -6.369 1.00 0.00 C ATOM 674 C THR A 40 77.007 11.145 -7.022 1.00 0.00 C ATOM 675 O THR A 40 77.693 11.952 -7.618 1.00 0.00 O ATOM 676 CB THR A 40 75.987 12.571 -5.247 1.00 0.00 C ATOM 677 OG1 THR A 40 76.674 11.910 -4.195 1.00 0.00 O ATOM 678 CG2 THR A 40 74.673 13.146 -4.720 1.00 0.00 C ATOM 0 H THR A 40 75.335 10.074 -4.893 1.00 0.00 H new ATOM 0 HA THR A 40 75.056 12.034 -7.125 1.00 0.00 H new ATOM 0 HB THR A 40 76.608 13.380 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.865 12.549 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.882 13.857 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.147 13.653 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.051 12.338 -4.334 1.00 0.00 H new ATOM 686 N LYS A 41 77.379 9.894 -6.926 1.00 0.00 N ATOM 687 CA LYS A 41 78.660 9.474 -7.561 1.00 0.00 C ATOM 688 C LYS A 41 79.786 10.390 -7.079 1.00 0.00 C ATOM 689 O LYS A 41 80.805 10.530 -7.727 1.00 0.00 O ATOM 690 CB LYS A 41 78.524 9.584 -9.081 1.00 0.00 C ATOM 691 CG LYS A 41 77.201 8.946 -9.515 1.00 0.00 C ATOM 692 CD LYS A 41 77.190 8.745 -11.035 1.00 0.00 C ATOM 693 CE LYS A 41 77.151 10.101 -11.751 1.00 0.00 C ATOM 694 NZ LYS A 41 76.088 10.957 -11.153 1.00 0.00 N ATOM 0 H LYS A 41 76.861 9.159 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 41 78.890 8.444 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.555 10.630 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.360 9.085 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.067 7.988 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.367 9.581 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.076 8.190 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.324 8.149 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.119 10.595 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 41 76.959 9.956 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 75.746 11.634 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 75.298 10.359 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.477 11.476 -10.340 1.00 0.00 H new ATOM 708 N GLU A 42 79.608 11.019 -5.940 1.00 0.00 N ATOM 709 CA GLU A 42 80.662 11.937 -5.398 1.00 0.00 C ATOM 710 C GLU A 42 81.418 11.223 -4.271 1.00 0.00 C ATOM 711 O GLU A 42 80.948 10.254 -3.719 1.00 0.00 O ATOM 712 CB GLU A 42 79.980 13.215 -4.854 1.00 0.00 C ATOM 713 CG GLU A 42 80.550 14.464 -5.536 1.00 0.00 C ATOM 714 CD GLU A 42 80.212 14.433 -7.028 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.087 14.763 -7.367 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.084 14.082 -7.806 1.00 0.00 O ATOM 0 H GLU A 42 78.773 10.935 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 42 81.367 12.210 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.905 13.160 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.129 13.283 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.136 15.362 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.630 14.505 -5.398 1.00 0.00 H new ATOM 723 N VAL A 43 82.577 11.713 -3.919 1.00 0.00 N ATOM 724 CA VAL A 43 83.362 11.075 -2.819 1.00 0.00 C ATOM 725 C VAL A 43 82.810 11.552 -1.474 1.00 0.00 C ATOM 726 O VAL A 43 82.779 12.732 -1.188 1.00 0.00 O ATOM 727 CB VAL A 43 84.843 11.464 -2.957 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.601 11.122 -1.669 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.464 10.692 -4.126 1.00 0.00 C ATOM 0 H VAL A 43 83.016 12.529 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 43 83.277 9.990 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 43 84.913 12.536 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.649 11.402 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.164 11.669 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.529 10.051 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.514 10.966 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.385 9.621 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.935 10.939 -5.047 1.00 0.00 H new ATOM 739 N ILE A 44 82.361 10.639 -0.650 1.00 0.00 N ATOM 740 CA ILE A 44 81.797 11.028 0.673 1.00 0.00 C ATOM 741 C ILE A 44 82.870 10.900 1.756 1.00 0.00 C ATOM 742 O ILE A 44 82.853 11.615 2.738 1.00 0.00 O ATOM 743 CB ILE A 44 80.619 10.110 1.020 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.585 10.096 -0.132 1.00 0.00 C ATOM 745 CG2 ILE A 44 79.962 10.600 2.313 1.00 0.00 C ATOM 746 CD1 ILE A 44 78.659 11.324 -0.073 1.00 0.00 C ATOM 0 H ILE A 44 82.362 9.637 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 44 81.456 12.062 0.622 1.00 0.00 H new ATOM 0 HB ILE A 44 80.986 9.093 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.106 10.077 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 44 78.988 9.186 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.124 9.950 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.692 10.580 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.602 11.620 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 44 77.946 11.282 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 44 78.120 11.328 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 79.255 12.233 -0.155 1.00 0.00 H new ATOM 758 N GLN A 45 83.800 9.993 1.600 1.00 0.00 N ATOM 759 CA GLN A 45 84.860 9.831 2.646 1.00 0.00 C ATOM 760 C GLN A 45 86.170 9.336 2.015 1.00 0.00 C ATOM 761 O GLN A 45 86.210 8.884 0.891 1.00 0.00 O ATOM 762 CB GLN A 45 84.380 8.826 3.710 1.00 0.00 C ATOM 763 CG GLN A 45 84.994 9.154 5.079 1.00 0.00 C ATOM 764 CD GLN A 45 84.212 10.289 5.744 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.014 10.399 5.575 1.00 0.00 O ATOM 766 NE2 GLN A 45 84.847 11.144 6.497 1.00 0.00 N ATOM 0 H GLN A 45 83.873 9.362 0.802 1.00 0.00 H new ATOM 0 HA GLN A 45 85.046 10.798 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.292 8.851 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.657 7.814 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 45 84.979 8.269 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.038 9.442 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 45 85.853 11.051 6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 45 84.338 11.906 6.945 1.00 0.00 H new ATOM 775 N GLU A 46 87.234 9.425 2.763 1.00 0.00 N ATOM 776 CA GLU A 46 88.580 8.977 2.292 1.00 0.00 C ATOM 777 C GLU A 46 89.258 8.203 3.430 1.00 0.00 C ATOM 778 O GLU A 46 89.134 8.554 4.587 1.00 0.00 O ATOM 779 CB GLU A 46 89.426 10.204 1.917 1.00 0.00 C ATOM 780 CG GLU A 46 89.128 10.615 0.472 1.00 0.00 C ATOM 781 CD GLU A 46 89.989 11.821 0.094 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.798 12.226 0.913 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.826 12.319 -1.007 1.00 0.00 O ATOM 0 H GLU A 46 87.228 9.801 3.711 1.00 0.00 H new ATOM 0 HA GLU A 46 88.481 8.337 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.205 11.030 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.486 9.975 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.332 9.784 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.072 10.861 0.364 1.00 0.00 H new ATOM 790 N TRP A 47 89.966 7.147 3.113 1.00 0.00 N ATOM 791 CA TRP A 47 90.647 6.340 4.175 1.00 0.00 C ATOM 792 C TRP A 47 92.034 5.929 3.691 1.00 0.00 C ATOM 793 O TRP A 47 92.271 5.802 2.512 1.00 0.00 O ATOM 794 CB TRP A 47 89.834 5.078 4.457 1.00 0.00 C ATOM 795 CG TRP A 47 88.588 5.427 5.205 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.331 5.292 4.723 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.453 5.960 6.555 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.435 5.707 5.690 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.076 6.127 6.835 1.00 0.00 C ATOM 800 CE3 TRP A 47 89.379 6.311 7.553 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.633 6.623 8.058 1.00 0.00 C ATOM 802 CZ3 TRP A 47 88.936 6.811 8.789 1.00 0.00 C ATOM 803 CH2 TRP A 47 87.565 6.967 9.041 1.00 0.00 C ATOM 0 H TRP A 47 90.103 6.807 2.161 1.00 0.00 H new ATOM 0 HA TRP A 47 90.731 6.940 5.081 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.579 4.583 3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.430 4.374 5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.070 4.921 3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.422 5.703 5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 47 90.437 6.196 7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.576 6.741 8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 89.655 7.077 9.550 1.00 0.00 H new ATOM 0 HH2 TRP A 47 87.230 7.352 9.993 1.00 0.00 H new ATOM 814 N SER A 48 92.948 5.702 4.595 1.00 0.00 N ATOM 815 CA SER A 48 94.323 5.280 4.188 1.00 0.00 C ATOM 816 C SER A 48 94.401 3.752 4.180 1.00 0.00 C ATOM 817 O SER A 48 93.836 3.089 5.027 1.00 0.00 O ATOM 818 CB SER A 48 95.341 5.837 5.180 1.00 0.00 C ATOM 819 OG SER A 48 95.083 7.218 5.396 1.00 0.00 O ATOM 0 H SER A 48 92.803 5.790 5.601 1.00 0.00 H new ATOM 0 HA SER A 48 94.543 5.662 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.282 5.293 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.352 5.700 4.796 1.00 0.00 H new ATOM 0 HG SER A 48 95.735 7.577 6.034 1.00 0.00 H new ATOM 825 N LEU A 49 95.095 3.186 3.231 1.00 0.00 N ATOM 826 CA LEU A 49 95.205 1.703 3.177 1.00 0.00 C ATOM 827 C LEU A 49 95.998 1.225 4.400 1.00 0.00 C ATOM 828 O LEU A 49 95.887 0.090 4.821 1.00 0.00 O ATOM 829 CB LEU A 49 95.928 1.298 1.868 1.00 0.00 C ATOM 830 CG LEU A 49 94.910 0.802 0.822 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.508 0.918 -0.586 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.554 -0.664 1.102 1.00 0.00 C ATOM 0 H LEU A 49 95.589 3.686 2.492 1.00 0.00 H new ATOM 0 HA LEU A 49 94.217 1.243 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.480 2.150 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.657 0.514 2.075 1.00 0.00 H new ATOM 0 HG LEU A 49 94.011 1.415 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.783 0.566 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.755 1.959 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.411 0.311 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.834 -1.012 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.455 -1.274 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.119 -0.749 2.098 1.00 0.00 H new ATOM 844 N THR A 50 96.795 2.085 4.970 1.00 0.00 N ATOM 845 CA THR A 50 97.595 1.690 6.160 1.00 0.00 C ATOM 846 C THR A 50 96.722 1.764 7.415 1.00 0.00 C ATOM 847 O THR A 50 97.140 1.400 8.495 1.00 0.00 O ATOM 848 CB THR A 50 98.784 2.643 6.313 1.00 0.00 C ATOM 849 OG1 THR A 50 98.304 3.960 6.548 1.00 0.00 O ATOM 850 CG2 THR A 50 99.624 2.625 5.035 1.00 0.00 C ATOM 0 H THR A 50 96.926 3.048 4.661 1.00 0.00 H new ATOM 0 HA THR A 50 97.957 0.670 6.030 1.00 0.00 H new ATOM 0 HB THR A 50 99.400 2.324 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.063 4.572 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.470 3.304 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 50 99.991 1.615 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.011 2.944 4.192 1.00 0.00 H new ATOM 858 N ASN A 51 95.511 2.238 7.282 1.00 0.00 N ATOM 859 CA ASN A 51 94.610 2.342 8.471 1.00 0.00 C ATOM 860 C ASN A 51 93.805 1.052 8.625 1.00 0.00 C ATOM 861 O ASN A 51 93.492 0.631 9.721 1.00 0.00 O ATOM 862 CB ASN A 51 93.650 3.521 8.280 1.00 0.00 C ATOM 863 CG ASN A 51 94.399 4.832 8.519 1.00 0.00 C ATOM 864 OD1 ASN A 51 95.704 4.825 8.544 1.00 0.00 O flip ATOM 865 ND2 ASN A 51 93.793 5.872 8.683 1.00 0.00 N flip ATOM 0 H ASN A 51 95.106 2.558 6.402 1.00 0.00 H new ATOM 0 HA ASN A 51 95.212 2.500 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.234 3.506 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.812 3.437 8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.773 5.877 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.304 6.741 8.840 1.00 0.00 H new ATOM 872 N ILE A 52 93.461 0.422 7.537 1.00 0.00 N ATOM 873 CA ILE A 52 92.672 -0.837 7.627 1.00 0.00 C ATOM 874 C ILE A 52 93.434 -1.861 8.471 1.00 0.00 C ATOM 875 O ILE A 52 94.551 -2.226 8.163 1.00 0.00 O ATOM 876 CB ILE A 52 92.450 -1.398 6.223 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.615 -0.406 5.406 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.712 -2.734 6.321 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.583 -0.846 3.942 1.00 0.00 C ATOM 0 H ILE A 52 93.692 0.724 6.591 1.00 0.00 H new ATOM 0 HA ILE A 52 91.709 -0.629 8.094 1.00 0.00 H new ATOM 0 HB ILE A 52 93.411 -1.552 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.601 -0.355 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.039 0.595 5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.553 -3.136 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.308 -3.437 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.749 -2.583 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 52 90.989 -0.139 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.599 -0.874 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.138 -1.839 3.870 1.00 0.00 H new ATOM 891 N LYS A 53 92.837 -2.330 9.536 1.00 0.00 N ATOM 892 CA LYS A 53 93.524 -3.333 10.402 1.00 0.00 C ATOM 893 C LYS A 53 93.209 -4.743 9.895 1.00 0.00 C ATOM 894 O LYS A 53 94.089 -5.566 9.733 1.00 0.00 O ATOM 895 CB LYS A 53 93.025 -3.185 11.844 1.00 0.00 C ATOM 896 CG LYS A 53 93.604 -4.311 12.705 1.00 0.00 C ATOM 897 CD LYS A 53 93.364 -4.005 14.184 1.00 0.00 C ATOM 898 CE LYS A 53 93.919 -5.150 15.035 1.00 0.00 C ATOM 899 NZ LYS A 53 93.931 -4.747 16.469 1.00 0.00 N ATOM 0 H LYS A 53 91.902 -2.061 9.843 1.00 0.00 H new ATOM 0 HA LYS A 53 94.601 -3.167 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.323 -2.216 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 91.936 -3.218 11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.139 -5.260 12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.672 -4.415 12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.848 -3.067 14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.298 -3.880 14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.309 -6.043 14.903 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.928 -5.402 14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.308 -5.526 17.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.531 -3.906 16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.962 -4.527 16.776 1.00 0.00 H new ATOM 913 N ARG A 54 91.959 -5.031 9.648 1.00 0.00 N ATOM 914 CA ARG A 54 91.585 -6.390 9.156 1.00 0.00 C ATOM 915 C ARG A 54 90.293 -6.301 8.348 1.00 0.00 C ATOM 916 O ARG A 54 89.688 -5.254 8.233 1.00 0.00 O ATOM 917 CB ARG A 54 91.343 -7.319 10.353 1.00 0.00 C ATOM 918 CG ARG A 54 90.391 -6.634 11.358 1.00 0.00 C ATOM 919 CD ARG A 54 89.564 -7.676 12.119 1.00 0.00 C ATOM 920 NE ARG A 54 89.082 -7.071 13.395 1.00 0.00 N ATOM 921 CZ ARG A 54 88.169 -7.676 14.103 1.00 0.00 C ATOM 922 NH1 ARG A 54 87.682 -8.818 13.702 1.00 0.00 N ATOM 923 NH2 ARG A 54 87.741 -7.138 15.212 1.00 0.00 N ATOM 0 H ARG A 54 91.180 -4.384 9.766 1.00 0.00 H new ATOM 0 HA ARG A 54 92.392 -6.779 8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 54 90.913 -8.261 10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.290 -7.557 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 54 90.968 -6.035 12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.726 -5.951 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.719 -8.002 11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.168 -8.560 12.325 1.00 0.00 H new ATOM 0 HE ARG A 54 89.467 -6.182 13.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.015 -9.238 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.968 -9.291 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.120 -6.244 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.027 -7.611 15.766 1.00 0.00 H new ATOM 937 N TRP A 55 89.855 -7.402 7.810 1.00 0.00 N ATOM 938 CA TRP A 55 88.586 -7.398 7.031 1.00 0.00 C ATOM 939 C TRP A 55 88.018 -8.809 6.985 1.00 0.00 C ATOM 940 O TRP A 55 88.653 -9.755 7.385 1.00 0.00 O ATOM 941 CB TRP A 55 88.840 -6.907 5.604 1.00 0.00 C ATOM 942 CG TRP A 55 89.930 -7.718 4.977 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.777 -8.960 4.460 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.330 -7.366 4.785 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.997 -9.394 3.969 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.984 -8.445 4.144 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.089 -6.227 5.103 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.343 -8.394 3.830 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.456 -6.172 4.789 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.082 -7.253 4.153 1.00 0.00 C ATOM 0 H TRP A 55 90.321 -8.307 7.875 1.00 0.00 H new ATOM 0 HA TRP A 55 87.876 -6.727 7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.927 -6.989 5.013 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.119 -5.853 5.616 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.854 -9.521 4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.148 -10.303 3.532 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.617 -5.388 5.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.820 -9.230 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.029 -5.291 5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.134 -7.204 3.913 1.00 0.00 H new ATOM 961 N ALA A 56 86.823 -8.956 6.496 1.00 0.00 N ATOM 962 CA ALA A 56 86.210 -10.313 6.405 1.00 0.00 C ATOM 963 C ALA A 56 85.301 -10.345 5.176 1.00 0.00 C ATOM 964 O ALA A 56 84.283 -9.684 5.131 1.00 0.00 O ATOM 965 CB ALA A 56 85.400 -10.604 7.672 1.00 0.00 C ATOM 0 H ALA A 56 86.239 -8.194 6.153 1.00 0.00 H new ATOM 0 HA ALA A 56 86.985 -11.074 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.955 -11.596 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.057 -10.564 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.611 -9.859 7.779 1.00 0.00 H new ATOM 971 N ALA A 57 85.668 -11.094 4.170 1.00 0.00 N ATOM 972 CA ALA A 57 84.836 -11.154 2.930 1.00 0.00 C ATOM 973 C ALA A 57 83.962 -12.402 2.945 1.00 0.00 C ATOM 974 O ALA A 57 84.438 -13.505 3.129 1.00 0.00 O ATOM 975 CB ALA A 57 85.754 -11.201 1.709 1.00 0.00 C ATOM 0 H ALA A 57 86.510 -11.669 4.153 1.00 0.00 H new ATOM 0 HA ALA A 57 84.199 -10.271 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.151 -11.245 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.377 -10.307 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.389 -12.085 1.765 1.00 0.00 H new ATOM 981 N SER A 58 82.680 -12.229 2.736 1.00 0.00 N ATOM 982 CA SER A 58 81.738 -13.383 2.715 1.00 0.00 C ATOM 983 C SER A 58 80.938 -13.317 1.401 1.00 0.00 C ATOM 984 O SER A 58 80.813 -12.253 0.828 1.00 0.00 O ATOM 985 CB SER A 58 80.792 -13.275 3.920 1.00 0.00 C ATOM 986 OG SER A 58 81.351 -13.988 5.015 1.00 0.00 O ATOM 0 H SER A 58 82.243 -11.321 2.577 1.00 0.00 H new ATOM 0 HA SER A 58 82.275 -14.330 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.643 -12.229 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.813 -13.682 3.667 1.00 0.00 H new ATOM 0 HG SER A 58 80.753 -13.922 5.788 1.00 0.00 H new ATOM 992 N PRO A 59 80.413 -14.436 0.951 1.00 0.00 N ATOM 993 CA PRO A 59 79.624 -14.470 -0.299 1.00 0.00 C ATOM 994 C PRO A 59 78.382 -13.564 -0.192 1.00 0.00 C ATOM 995 O PRO A 59 77.414 -13.758 -0.900 1.00 0.00 O ATOM 996 CB PRO A 59 79.213 -15.954 -0.458 1.00 0.00 C ATOM 997 CG PRO A 59 79.595 -16.677 0.861 1.00 0.00 C ATOM 998 CD PRO A 59 80.554 -15.748 1.625 1.00 0.00 C ATOM 0 HA PRO A 59 80.191 -14.104 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.143 -16.039 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.725 -16.407 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.706 -16.887 1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.072 -17.634 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.288 -15.683 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.581 -16.111 1.577 1.00 0.00 H new ATOM 1006 N LYS A 60 78.386 -12.588 0.686 1.00 0.00 N ATOM 1007 CA LYS A 60 77.190 -11.704 0.822 1.00 0.00 C ATOM 1008 C LYS A 60 77.612 -10.275 1.163 1.00 0.00 C ATOM 1009 O LYS A 60 77.021 -9.320 0.698 1.00 0.00 O ATOM 1010 CB LYS A 60 76.314 -12.243 1.952 1.00 0.00 C ATOM 1011 CG LYS A 60 77.035 -12.069 3.297 1.00 0.00 C ATOM 1012 CD LYS A 60 76.488 -13.071 4.314 1.00 0.00 C ATOM 1013 CE LYS A 60 76.952 -12.683 5.719 1.00 0.00 C ATOM 1014 NZ LYS A 60 76.178 -11.499 6.191 1.00 0.00 N ATOM 0 H LYS A 60 79.163 -12.368 1.310 1.00 0.00 H new ATOM 0 HA LYS A 60 76.645 -11.693 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.361 -11.715 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 60 76.092 -13.296 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.107 -12.218 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.897 -11.052 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.399 -13.089 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 60 76.833 -14.076 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.811 -13.519 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 60 78.018 -12.454 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 76.233 -11.439 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 76.577 -10.634 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 75.184 -11.597 5.902 1.00 0.00 H new ATOM 1028 N SER A 61 78.604 -10.113 1.997 1.00 0.00 N ATOM 1029 CA SER A 61 79.024 -8.729 2.389 1.00 0.00 C ATOM 1030 C SER A 61 80.531 -8.645 2.646 1.00 0.00 C ATOM 1031 O SER A 61 81.222 -9.639 2.753 1.00 0.00 O ATOM 1032 CB SER A 61 78.284 -8.340 3.668 1.00 0.00 C ATOM 1033 OG SER A 61 76.898 -8.201 3.388 1.00 0.00 O ATOM 0 H SER A 61 79.140 -10.869 2.423 1.00 0.00 H new ATOM 0 HA SER A 61 78.782 -8.052 1.570 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.437 -9.099 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.682 -7.405 4.062 1.00 0.00 H new ATOM 0 HG SER A 61 76.519 -9.078 3.168 1.00 0.00 H new ATOM 1039 N PHE A 62 81.029 -7.436 2.756 1.00 0.00 N ATOM 1040 CA PHE A 62 82.485 -7.200 3.023 1.00 0.00 C ATOM 1041 C PHE A 62 82.607 -6.350 4.290 1.00 0.00 C ATOM 1042 O PHE A 62 81.820 -5.452 4.511 1.00 0.00 O ATOM 1043 CB PHE A 62 83.110 -6.443 1.848 1.00 0.00 C ATOM 1044 CG PHE A 62 84.579 -6.189 2.124 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.460 -7.268 2.246 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.059 -4.878 2.258 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.818 -7.043 2.500 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.419 -4.654 2.512 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.297 -5.736 2.633 1.00 0.00 C ATOM 0 H PHE A 62 80.475 -6.584 2.670 1.00 0.00 H new ATOM 0 HA PHE A 62 83.001 -8.152 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.997 -7.020 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.590 -5.497 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.092 -8.278 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.381 -4.042 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.496 -7.879 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.789 -3.645 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.345 -5.562 2.829 1.00 0.00 H new ATOM 1059 N THR A 63 83.574 -6.630 5.131 1.00 0.00 N ATOM 1060 CA THR A 63 83.732 -5.840 6.398 1.00 0.00 C ATOM 1061 C THR A 63 85.182 -5.376 6.541 1.00 0.00 C ATOM 1062 O THR A 63 86.106 -6.071 6.175 1.00 0.00 O ATOM 1063 CB THR A 63 83.361 -6.734 7.589 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.958 -6.960 7.586 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.766 -6.060 8.906 1.00 0.00 C ATOM 0 H THR A 63 84.262 -7.371 4.997 1.00 0.00 H new ATOM 0 HA THR A 63 83.080 -4.967 6.370 1.00 0.00 H new ATOM 0 HB THR A 63 83.890 -7.683 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.717 -7.532 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.497 -6.705 9.743 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.842 -5.889 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.247 -5.106 9.001 1.00 0.00 H new ATOM 1073 N LEU A 64 85.381 -4.202 7.089 1.00 0.00 N ATOM 1074 CA LEU A 64 86.769 -3.675 7.291 1.00 0.00 C ATOM 1075 C LEU A 64 86.849 -3.031 8.676 1.00 0.00 C ATOM 1076 O LEU A 64 85.860 -2.582 9.220 1.00 0.00 O ATOM 1077 CB LEU A 64 87.113 -2.631 6.212 1.00 0.00 C ATOM 1078 CG LEU A 64 85.855 -1.805 5.849 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.265 -0.373 5.462 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.107 -2.465 4.668 1.00 0.00 C ATOM 0 H LEU A 64 84.637 -3.581 7.407 1.00 0.00 H new ATOM 0 HA LEU A 64 87.483 -4.495 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 87.900 -1.969 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.499 -3.129 5.323 1.00 0.00 H new ATOM 0 HG LEU A 64 85.195 -1.772 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.376 0.204 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 86.776 0.099 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 64 86.934 -0.406 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.224 -1.875 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 64 85.766 -2.512 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.803 -3.474 4.948 1.00 0.00 H new ATOM 1092 N ASP A 65 88.024 -2.987 9.249 1.00 0.00 N ATOM 1093 CA ASP A 65 88.195 -2.377 10.607 1.00 0.00 C ATOM 1094 C ASP A 65 89.359 -1.389 10.573 1.00 0.00 C ATOM 1095 O ASP A 65 90.459 -1.722 10.177 1.00 0.00 O ATOM 1096 CB ASP A 65 88.493 -3.477 11.634 1.00 0.00 C ATOM 1097 CG ASP A 65 87.559 -4.669 11.402 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.421 -5.079 10.262 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.003 -5.157 12.372 1.00 0.00 O ATOM 0 H ASP A 65 88.881 -3.350 8.832 1.00 0.00 H new ATOM 0 HA ASP A 65 87.279 -1.858 10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.532 -3.795 11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.360 -3.090 12.644 1.00 0.00 H new ATOM 1104 N PHE A 66 89.129 -0.178 10.996 1.00 0.00 N ATOM 1105 CA PHE A 66 90.222 0.832 10.999 1.00 0.00 C ATOM 1106 C PHE A 66 91.009 0.693 12.298 1.00 0.00 C ATOM 1107 O PHE A 66 91.938 1.431 12.561 1.00 0.00 O ATOM 1108 CB PHE A 66 89.615 2.232 10.915 1.00 0.00 C ATOM 1109 CG PHE A 66 88.939 2.410 9.571 1.00 0.00 C ATOM 1110 CD1 PHE A 66 89.702 2.390 8.396 1.00 0.00 C ATOM 1111 CD2 PHE A 66 87.550 2.593 9.499 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.078 2.552 7.152 1.00 0.00 C ATOM 1113 CE2 PHE A 66 86.928 2.755 8.255 1.00 0.00 C ATOM 1114 CZ PHE A 66 87.692 2.735 7.082 1.00 0.00 C ATOM 0 H PHE A 66 88.229 0.156 11.341 1.00 0.00 H new ATOM 0 HA PHE A 66 90.883 0.675 10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 66 88.893 2.376 11.719 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.392 2.985 11.046 1.00 0.00 H new ATOM 0 HD1 PHE A 66 90.772 2.250 8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 66 86.960 2.609 10.404 1.00 0.00 H new ATOM 0 HE1 PHE A 66 89.667 2.536 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 66 85.859 2.895 8.200 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.212 2.861 6.123 1.00 0.00 H new ATOM 1124 N GLY A 67 90.636 -0.252 13.116 1.00 0.00 N ATOM 1125 CA GLY A 67 91.349 -0.453 14.409 1.00 0.00 C ATOM 1126 C GLY A 67 90.771 0.500 15.451 1.00 0.00 C ATOM 1127 O GLY A 67 91.063 0.404 16.626 1.00 0.00 O ATOM 0 H GLY A 67 89.865 -0.897 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.240 -1.485 14.742 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.416 -0.270 14.283 1.00 0.00 H new ATOM 1131 N ASP A 68 89.949 1.425 15.027 1.00 0.00 N ATOM 1132 CA ASP A 68 89.346 2.392 15.988 1.00 0.00 C ATOM 1133 C ASP A 68 87.980 1.875 16.448 1.00 0.00 C ATOM 1134 O ASP A 68 86.959 2.199 15.875 1.00 0.00 O ATOM 1135 CB ASP A 68 89.179 3.747 15.299 1.00 0.00 C ATOM 1136 CG ASP A 68 90.392 4.021 14.408 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.451 3.494 14.706 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.241 4.752 13.443 1.00 0.00 O ATOM 0 H ASP A 68 89.670 1.551 14.054 1.00 0.00 H new ATOM 0 HA ASP A 68 89.997 2.501 16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.267 3.753 14.702 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.077 4.536 16.045 1.00 0.00 H new ATOM 1143 N TYR A 69 87.951 1.075 17.480 1.00 0.00 N ATOM 1144 CA TYR A 69 86.651 0.546 17.976 1.00 0.00 C ATOM 1145 C TYR A 69 85.647 1.694 18.083 1.00 0.00 C ATOM 1146 O TYR A 69 84.513 1.588 17.659 1.00 0.00 O ATOM 1147 CB TYR A 69 86.852 -0.087 19.353 1.00 0.00 C ATOM 1148 CG TYR A 69 85.515 -0.512 19.907 1.00 0.00 C ATOM 1149 CD1 TYR A 69 84.926 -1.700 19.466 1.00 0.00 C ATOM 1150 CD2 TYR A 69 84.864 0.283 20.858 1.00 0.00 C ATOM 1151 CE1 TYR A 69 83.684 -2.097 19.976 1.00 0.00 C ATOM 1152 CE2 TYR A 69 83.622 -0.112 21.368 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.032 -1.303 20.927 1.00 0.00 C ATOM 1154 OH TYR A 69 81.808 -1.694 21.430 1.00 0.00 O ATOM 0 H TYR A 69 88.772 0.766 18.000 1.00 0.00 H new ATOM 0 HA TYR A 69 86.273 -0.206 17.283 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.517 -0.947 19.277 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.328 0.625 20.027 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.429 -2.312 18.732 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.320 1.201 21.198 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.229 -3.016 19.636 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.119 0.501 22.101 1.00 0.00 H new ATOM 0 HH TYR A 69 81.495 -1.031 22.080 1.00 0.00 H new ATOM 1164 N GLN A 70 86.064 2.793 18.644 1.00 0.00 N ATOM 1165 CA GLN A 70 85.148 3.959 18.781 1.00 0.00 C ATOM 1166 C GLN A 70 84.477 4.240 17.437 1.00 0.00 C ATOM 1167 O GLN A 70 83.271 4.361 17.347 1.00 0.00 O ATOM 1168 CB GLN A 70 85.937 5.196 19.235 1.00 0.00 C ATOM 1169 CG GLN A 70 87.252 5.315 18.464 1.00 0.00 C ATOM 1170 CD GLN A 70 88.083 6.454 19.056 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.265 7.478 18.428 1.00 0.00 O ATOM 1172 NE2 GLN A 70 88.598 6.319 20.247 1.00 0.00 N ATOM 0 H GLN A 70 87.003 2.935 19.015 1.00 0.00 H new ATOM 0 HA GLN A 70 84.387 3.731 19.527 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.337 6.093 19.080 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.142 5.130 20.304 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.806 4.378 18.520 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.053 5.505 17.409 1.00 0.00 H new ATOM 0 HE21 GLN A 70 88.445 5.459 20.774 1.00 0.00 H new ATOM 0 HE22 GLN A 70 89.153 7.073 20.651 1.00 0.00 H new ATOM 1181 N ASP A 71 85.246 4.341 16.391 1.00 0.00 N ATOM 1182 CA ASP A 71 84.651 4.608 15.057 1.00 0.00 C ATOM 1183 C ASP A 71 83.719 3.457 14.691 1.00 0.00 C ATOM 1184 O ASP A 71 82.722 3.634 14.020 1.00 0.00 O ATOM 1185 CB ASP A 71 85.769 4.718 14.024 1.00 0.00 C ATOM 1186 CG ASP A 71 85.238 5.389 12.755 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.088 5.154 12.421 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.990 6.126 12.139 1.00 0.00 O ATOM 0 H ASP A 71 86.262 4.250 16.404 1.00 0.00 H new ATOM 0 HA ASP A 71 84.086 5.540 15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.598 5.296 14.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.157 3.727 13.787 1.00 0.00 H new ATOM 1193 N GLY A 72 84.040 2.274 15.136 1.00 0.00 N ATOM 1194 CA GLY A 72 83.183 1.095 14.827 1.00 0.00 C ATOM 1195 C GLY A 72 83.579 0.516 13.468 1.00 0.00 C ATOM 1196 O GLY A 72 84.215 1.170 12.665 1.00 0.00 O ATOM 0 H GLY A 72 84.863 2.072 15.703 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.295 0.338 15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.133 1.388 14.817 1.00 0.00 H new ATOM 1200 N TYR A 73 83.212 -0.709 13.204 1.00 0.00 N ATOM 1201 CA TYR A 73 83.572 -1.332 11.898 1.00 0.00 C ATOM 1202 C TYR A 73 82.684 -0.767 10.790 1.00 0.00 C ATOM 1203 O TYR A 73 81.694 -0.110 11.044 1.00 0.00 O ATOM 1204 CB TYR A 73 83.363 -2.845 11.977 1.00 0.00 C ATOM 1205 CG TYR A 73 84.019 -3.382 13.227 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.408 -3.333 13.354 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.240 -3.928 14.254 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.025 -3.829 14.508 1.00 0.00 C ATOM 1209 CE2 TYR A 73 83.854 -4.425 15.409 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.248 -4.375 15.537 1.00 0.00 C ATOM 1211 OH TYR A 73 85.854 -4.864 16.676 1.00 0.00 O ATOM 0 H TYR A 73 82.678 -1.305 13.836 1.00 0.00 H new ATOM 0 HA TYR A 73 84.617 -1.112 11.677 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.298 -3.075 11.986 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.786 -3.327 11.096 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.008 -2.912 12.561 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.165 -3.966 14.155 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.100 -3.791 14.605 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.253 -4.847 16.201 1.00 0.00 H new ATOM 0 HH TYR A 73 85.170 -5.206 17.289 1.00 0.00 H new ATOM 1221 N TYR A 74 83.032 -1.038 9.558 1.00 0.00 N ATOM 1222 CA TYR A 74 82.227 -0.551 8.403 1.00 0.00 C ATOM 1223 C TYR A 74 81.991 -1.722 7.455 1.00 0.00 C ATOM 1224 O TYR A 74 82.892 -2.174 6.779 1.00 0.00 O ATOM 1225 CB TYR A 74 83.004 0.543 7.671 1.00 0.00 C ATOM 1226 CG TYR A 74 82.172 1.087 6.533 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.195 2.057 6.781 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.381 0.622 5.229 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.426 2.561 5.726 1.00 0.00 C ATOM 1230 CE2 TYR A 74 81.613 1.126 4.173 1.00 0.00 C ATOM 1231 CZ TYR A 74 80.635 2.096 4.422 1.00 0.00 C ATOM 1232 OH TYR A 74 79.876 2.593 3.382 1.00 0.00 O ATOM 0 H TYR A 74 83.854 -1.585 9.302 1.00 0.00 H new ATOM 0 HA TYR A 74 81.275 -0.148 8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.259 1.346 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 74 83.942 0.141 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.034 2.417 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.136 -0.126 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 74 79.671 3.309 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 74 81.775 0.767 3.167 1.00 0.00 H new ATOM 0 HH TYR A 74 79.080 3.038 3.741 1.00 0.00 H new ATOM 1242 N SER A 75 80.788 -2.223 7.413 1.00 0.00 N ATOM 1243 CA SER A 75 80.464 -3.381 6.525 1.00 0.00 C ATOM 1244 C SER A 75 79.330 -3.012 5.572 1.00 0.00 C ATOM 1245 O SER A 75 78.497 -2.176 5.864 1.00 0.00 O ATOM 1246 CB SER A 75 80.036 -4.567 7.386 1.00 0.00 C ATOM 1247 OG SER A 75 78.973 -4.169 8.242 1.00 0.00 O ATOM 0 H SER A 75 80.003 -1.876 7.963 1.00 0.00 H new ATOM 0 HA SER A 75 81.346 -3.643 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.717 -5.394 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 75 80.879 -4.925 7.977 1.00 0.00 H new ATOM 0 HG SER A 75 78.696 -4.929 8.794 1.00 0.00 H new ATOM 1253 N VAL A 76 79.300 -3.637 4.427 1.00 0.00 N ATOM 1254 CA VAL A 76 78.232 -3.343 3.428 1.00 0.00 C ATOM 1255 C VAL A 76 77.980 -4.597 2.589 1.00 0.00 C ATOM 1256 O VAL A 76 78.743 -5.540 2.629 1.00 0.00 O ATOM 1257 CB VAL A 76 78.695 -2.202 2.520 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.884 -0.932 3.353 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.029 -2.579 1.870 1.00 0.00 C ATOM 0 H VAL A 76 79.975 -4.345 4.138 1.00 0.00 H new ATOM 0 HA VAL A 76 77.313 -3.051 3.936 1.00 0.00 H new ATOM 0 HB VAL A 76 77.946 -2.026 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.214 -0.119 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.939 -0.661 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.634 -1.110 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.361 -1.767 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.775 -2.753 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.902 -3.486 1.279 1.00 0.00 H new ATOM 1269 N GLN A 77 76.919 -4.623 1.830 1.00 0.00 N ATOM 1270 CA GLN A 77 76.633 -5.823 1.001 1.00 0.00 C ATOM 1271 C GLN A 77 77.520 -5.807 -0.248 1.00 0.00 C ATOM 1272 O GLN A 77 77.630 -4.810 -0.932 1.00 0.00 O ATOM 1273 CB GLN A 77 75.149 -5.806 0.589 1.00 0.00 C ATOM 1274 CG GLN A 77 74.316 -6.619 1.586 1.00 0.00 C ATOM 1275 CD GLN A 77 74.514 -8.114 1.323 1.00 0.00 C ATOM 1276 OE1 GLN A 77 74.766 -8.912 2.323 1.00 0.00 O flip ATOM 1277 NE2 GLN A 77 74.439 -8.559 0.194 1.00 0.00 N flip ATOM 0 H GLN A 77 76.240 -3.866 1.749 1.00 0.00 H new ATOM 0 HA GLN A 77 76.842 -6.727 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.786 -4.779 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 77 75.037 -6.220 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.613 -6.377 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.262 -6.359 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 77 74.242 -7.935 -0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.573 -9.557 0.029 1.00 0.00 H new ATOM 1286 N THR A 78 78.139 -6.918 -0.551 1.00 0.00 N ATOM 1287 CA THR A 78 79.014 -6.997 -1.753 1.00 0.00 C ATOM 1288 C THR A 78 79.010 -8.426 -2.278 1.00 0.00 C ATOM 1289 O THR A 78 79.469 -9.342 -1.625 1.00 0.00 O ATOM 1290 CB THR A 78 80.454 -6.627 -1.396 1.00 0.00 C ATOM 1291 OG1 THR A 78 81.068 -7.727 -0.739 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.480 -5.408 -0.475 1.00 0.00 C ATOM 0 H THR A 78 78.074 -7.781 -0.011 1.00 0.00 H new ATOM 0 HA THR A 78 78.635 -6.303 -2.503 1.00 0.00 H new ATOM 0 HB THR A 78 80.996 -6.387 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.380 -8.368 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.513 -5.158 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.011 -4.562 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.935 -5.633 0.442 1.00 0.00 H new ATOM 1300 N THR A 79 78.512 -8.622 -3.457 1.00 0.00 N ATOM 1301 CA THR A 79 78.496 -9.990 -4.034 1.00 0.00 C ATOM 1302 C THR A 79 79.935 -10.413 -4.319 1.00 0.00 C ATOM 1303 O THR A 79 80.242 -11.583 -4.428 1.00 0.00 O ATOM 1304 CB THR A 79 77.706 -9.975 -5.339 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.370 -9.568 -5.077 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.708 -11.373 -5.957 1.00 0.00 C ATOM 0 H THR A 79 78.113 -7.894 -4.050 1.00 0.00 H new ATOM 0 HA THR A 79 78.032 -10.688 -3.337 1.00 0.00 H new ATOM 0 HB THR A 79 78.168 -9.275 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.861 -9.556 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 79 77.143 -11.360 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.734 -11.680 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 79 77.248 -12.078 -5.264 1.00 0.00 H new ATOM 1314 N GLU A 80 80.816 -9.451 -4.442 1.00 0.00 N ATOM 1315 CA GLU A 80 82.253 -9.749 -4.726 1.00 0.00 C ATOM 1316 C GLU A 80 83.113 -9.291 -3.550 1.00 0.00 C ATOM 1317 O GLU A 80 84.255 -8.909 -3.714 1.00 0.00 O ATOM 1318 CB GLU A 80 82.682 -8.997 -5.987 1.00 0.00 C ATOM 1319 CG GLU A 80 81.791 -9.412 -7.159 1.00 0.00 C ATOM 1320 CD GLU A 80 82.419 -8.941 -8.472 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.900 -7.820 -8.507 1.00 0.00 O ATOM 1322 OE2 GLU A 80 82.409 -9.709 -9.419 1.00 0.00 O ATOM 0 H GLU A 80 80.597 -8.459 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 80 82.380 -10.822 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.609 -7.922 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.725 -9.215 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.669 -10.495 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.797 -8.980 -7.044 1.00 0.00 H new ATOM 1329 N GLY A 81 82.577 -9.333 -2.365 1.00 0.00 N ATOM 1330 CA GLY A 81 83.366 -8.904 -1.173 1.00 0.00 C ATOM 1331 C GLY A 81 84.737 -9.576 -1.205 1.00 0.00 C ATOM 1332 O GLY A 81 85.657 -9.171 -0.522 1.00 0.00 O ATOM 0 H GLY A 81 81.626 -9.645 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.480 -7.820 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.838 -9.172 -0.258 1.00 0.00 H new ATOM 1336 N GLU A 82 84.881 -10.596 -2.003 1.00 0.00 N ATOM 1337 CA GLU A 82 86.191 -11.294 -2.094 1.00 0.00 C ATOM 1338 C GLU A 82 87.135 -10.455 -2.957 1.00 0.00 C ATOM 1339 O GLU A 82 88.200 -10.054 -2.529 1.00 0.00 O ATOM 1340 CB GLU A 82 85.977 -12.674 -2.734 1.00 0.00 C ATOM 1341 CG GLU A 82 87.307 -13.237 -3.236 1.00 0.00 C ATOM 1342 CD GLU A 82 87.188 -14.749 -3.447 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.687 -15.414 -2.555 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.601 -15.214 -4.496 1.00 0.00 O ATOM 0 H GLU A 82 84.145 -10.977 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 82 86.625 -11.423 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.537 -13.356 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.273 -12.593 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.587 -12.752 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.097 -13.023 -2.516 1.00 0.00 H new ATOM 1351 N GLN A 83 86.742 -10.186 -4.166 1.00 0.00 N ATOM 1352 CA GLN A 83 87.600 -9.369 -5.066 1.00 0.00 C ATOM 1353 C GLN A 83 87.953 -8.077 -4.353 1.00 0.00 C ATOM 1354 O GLN A 83 89.094 -7.659 -4.316 1.00 0.00 O ATOM 1355 CB GLN A 83 86.846 -9.047 -6.357 1.00 0.00 C ATOM 1356 CG GLN A 83 86.274 -10.324 -6.962 1.00 0.00 C ATOM 1357 CD GLN A 83 85.327 -9.968 -8.104 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.479 -8.948 -8.746 1.00 0.00 O ATOM 1359 NE2 GLN A 83 84.347 -10.777 -8.382 1.00 0.00 N ATOM 0 H GLN A 83 85.860 -10.497 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 83 88.505 -9.923 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 83 86.042 -8.341 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.517 -8.567 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 83 87.081 -10.958 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.743 -10.894 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 83 84.223 -11.633 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.703 -10.556 -9.141 1.00 0.00 H new ATOM 1368 N ILE A 84 86.980 -7.450 -3.767 1.00 0.00 N ATOM 1369 CA ILE A 84 87.253 -6.190 -3.028 1.00 0.00 C ATOM 1370 C ILE A 84 88.361 -6.475 -2.016 1.00 0.00 C ATOM 1371 O ILE A 84 89.168 -5.623 -1.698 1.00 0.00 O ATOM 1372 CB ILE A 84 85.981 -5.737 -2.307 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.846 -5.609 -3.329 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.216 -4.381 -1.632 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.604 -5.025 -2.655 1.00 0.00 C ATOM 0 H ILE A 84 86.006 -7.754 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 84 87.563 -5.398 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 84 85.715 -6.471 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.158 -4.969 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.615 -6.586 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.306 -4.066 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.026 -4.470 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.484 -3.641 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.801 -4.936 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.287 -5.682 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.838 -4.040 -2.252 1.00 0.00 H new ATOM 1387 N ALA A 85 88.411 -7.684 -1.524 1.00 0.00 N ATOM 1388 CA ALA A 85 89.473 -8.055 -0.548 1.00 0.00 C ATOM 1389 C ALA A 85 90.731 -8.445 -1.319 1.00 0.00 C ATOM 1390 O ALA A 85 91.838 -8.259 -0.856 1.00 0.00 O ATOM 1391 CB ALA A 85 89.001 -9.238 0.297 1.00 0.00 C ATOM 0 H ALA A 85 87.759 -8.433 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 85 89.687 -7.212 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.779 -9.509 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.095 -8.962 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.792 -10.088 -0.352 1.00 0.00 H new ATOM 1397 N GLN A 86 90.568 -8.978 -2.501 1.00 0.00 N ATOM 1398 CA GLN A 86 91.752 -9.372 -3.309 1.00 0.00 C ATOM 1399 C GLN A 86 92.346 -8.120 -3.939 1.00 0.00 C ATOM 1400 O GLN A 86 93.547 -7.963 -4.035 1.00 0.00 O ATOM 1401 CB GLN A 86 91.321 -10.346 -4.406 1.00 0.00 C ATOM 1402 CG GLN A 86 92.546 -11.068 -4.963 1.00 0.00 C ATOM 1403 CD GLN A 86 92.202 -11.730 -6.296 1.00 0.00 C ATOM 1404 OE1 GLN A 86 91.088 -11.630 -6.771 1.00 0.00 O ATOM 1405 NE2 GLN A 86 93.121 -12.407 -6.923 1.00 0.00 N ATOM 0 H GLN A 86 89.664 -9.156 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 86 92.494 -9.858 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.611 -11.070 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.810 -9.807 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.364 -10.361 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.890 -11.820 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.056 -12.490 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.906 -12.854 -7.814 1.00 0.00 H new ATOM 1414 N LEU A 87 91.505 -7.219 -4.350 1.00 0.00 N ATOM 1415 CA LEU A 87 92.000 -5.962 -4.955 1.00 0.00 C ATOM 1416 C LEU A 87 92.664 -5.155 -3.850 1.00 0.00 C ATOM 1417 O LEU A 87 93.704 -4.552 -4.031 1.00 0.00 O ATOM 1418 CB LEU A 87 90.816 -5.185 -5.538 1.00 0.00 C ATOM 1419 CG LEU A 87 91.271 -3.802 -6.017 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.440 -3.944 -7.005 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.094 -3.106 -6.708 1.00 0.00 C ATOM 0 H LEU A 87 90.490 -7.302 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 87 92.712 -6.162 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.382 -5.740 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.036 -5.078 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 87 91.604 -3.212 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.756 -2.956 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.274 -4.444 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.120 -4.533 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.406 -2.120 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.768 -3.703 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.270 -2.999 -6.003 1.00 0.00 H new ATOM 1433 N ILE A 88 92.067 -5.164 -2.696 1.00 0.00 N ATOM 1434 CA ILE A 88 92.641 -4.427 -1.545 1.00 0.00 C ATOM 1435 C ILE A 88 93.861 -5.199 -1.039 1.00 0.00 C ATOM 1436 O ILE A 88 94.947 -4.667 -0.929 1.00 0.00 O ATOM 1437 CB ILE A 88 91.580 -4.332 -0.439 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.544 -3.272 -0.827 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.237 -3.944 0.896 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.367 -3.311 0.150 1.00 0.00 C ATOM 0 H ILE A 88 91.196 -5.657 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 88 92.941 -3.421 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 88 91.095 -5.301 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.002 -2.283 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.191 -3.451 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.474 -3.880 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.973 -4.699 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.730 -2.978 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.635 -2.555 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.901 -4.296 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.725 -3.110 1.160 1.00 0.00 H new ATOM 1452 N ALA A 89 93.684 -6.454 -0.742 1.00 0.00 N ATOM 1453 CA ALA A 89 94.825 -7.274 -0.251 1.00 0.00 C ATOM 1454 C ALA A 89 95.951 -7.214 -1.281 1.00 0.00 C ATOM 1455 O ALA A 89 97.086 -7.544 -1.000 1.00 0.00 O ATOM 1456 CB ALA A 89 94.374 -8.724 -0.069 1.00 0.00 C ATOM 0 H ALA A 89 92.796 -6.949 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 89 95.175 -6.887 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.211 -9.323 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.561 -8.764 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.028 -9.120 -1.024 1.00 0.00 H new ATOM 1462 N GLY A 90 95.637 -6.803 -2.481 1.00 0.00 N ATOM 1463 CA GLY A 90 96.678 -6.728 -3.546 1.00 0.00 C ATOM 1464 C GLY A 90 97.405 -5.381 -3.486 1.00 0.00 C ATOM 1465 O GLY A 90 98.596 -5.310 -3.700 1.00 0.00 O ATOM 0 H GLY A 90 94.702 -6.515 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.394 -7.541 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.216 -6.856 -4.525 1.00 0.00 H new ATOM 1469 N TYR A 91 96.710 -4.310 -3.202 1.00 0.00 N ATOM 1470 CA TYR A 91 97.397 -2.987 -3.145 1.00 0.00 C ATOM 1471 C TYR A 91 98.300 -2.944 -1.913 1.00 0.00 C ATOM 1472 O TYR A 91 99.339 -2.316 -1.911 1.00 0.00 O ATOM 1473 CB TYR A 91 96.360 -1.855 -3.046 1.00 0.00 C ATOM 1474 CG TYR A 91 95.776 -1.535 -4.411 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.609 -1.122 -5.465 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.393 -1.632 -4.618 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.058 -0.815 -6.715 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.846 -1.323 -5.867 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.678 -0.917 -6.916 1.00 0.00 C ATOM 1480 OH TYR A 91 94.136 -0.612 -8.148 1.00 0.00 O ATOM 0 H TYR A 91 95.708 -4.294 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 91 97.989 -2.853 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.562 -2.146 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.827 -0.964 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.675 -1.041 -5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.748 -1.946 -3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.699 -0.499 -7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.780 -1.398 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 91 93.164 -0.736 -8.118 1.00 0.00 H new ATOM 1490 N ILE A 92 97.903 -3.599 -0.863 1.00 0.00 N ATOM 1491 CA ILE A 92 98.723 -3.589 0.375 1.00 0.00 C ATOM 1492 C ILE A 92 100.078 -4.250 0.110 1.00 0.00 C ATOM 1493 O ILE A 92 101.053 -3.984 0.784 1.00 0.00 O ATOM 1494 CB ILE A 92 97.978 -4.349 1.468 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.634 -3.652 1.720 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.818 -4.350 2.747 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.789 -4.473 2.699 1.00 0.00 C ATOM 0 H ILE A 92 97.042 -4.143 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 92 98.894 -2.561 0.694 1.00 0.00 H new ATOM 0 HB ILE A 92 97.803 -5.380 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.804 -2.654 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.097 -3.529 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.288 -4.892 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.775 -4.835 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.990 -3.323 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.838 -3.969 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.605 -5.462 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.322 -4.573 3.645 1.00 0.00 H new ATOM 1509 N ASP A 93 100.141 -5.111 -0.865 1.00 0.00 N ATOM 1510 CA ASP A 93 101.427 -5.801 -1.184 1.00 0.00 C ATOM 1511 C ASP A 93 102.273 -4.930 -2.117 1.00 0.00 C ATOM 1512 O ASP A 93 103.477 -5.069 -2.193 1.00 0.00 O ATOM 1513 CB ASP A 93 101.119 -7.137 -1.870 1.00 0.00 C ATOM 1514 CG ASP A 93 102.313 -8.086 -1.728 1.00 0.00 C ATOM 1515 OD1 ASP A 93 103.416 -7.671 -2.045 1.00 0.00 O ATOM 1516 OD2 ASP A 93 102.103 -9.211 -1.304 1.00 0.00 O ATOM 0 H ASP A 93 99.354 -5.370 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 93 101.983 -5.975 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.231 -7.587 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 93 100.899 -6.972 -2.925 1.00 0.00 H new ATOM 1521 N ILE A 94 101.645 -4.050 -2.845 1.00 0.00 N ATOM 1522 CA ILE A 94 102.397 -3.183 -3.801 1.00 0.00 C ATOM 1523 C ILE A 94 102.929 -1.939 -3.092 1.00 0.00 C ATOM 1524 O ILE A 94 103.919 -1.361 -3.497 1.00 0.00 O ATOM 1525 CB ILE A 94 101.465 -2.760 -4.934 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.903 -4.011 -5.616 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.249 -1.931 -5.952 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.787 -3.617 -6.585 1.00 0.00 C ATOM 0 H ILE A 94 100.638 -3.891 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 94 103.241 -3.746 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 94 100.646 -2.162 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.696 -4.531 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.519 -4.703 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.586 -1.628 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.655 -1.045 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.066 -2.529 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.391 -4.511 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.989 -3.117 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.185 -2.942 -7.343 1.00 0.00 H new ATOM 1540 N ILE A 95 102.289 -1.518 -2.039 1.00 0.00 N ATOM 1541 CA ILE A 95 102.774 -0.308 -1.314 1.00 0.00 C ATOM 1542 C ILE A 95 103.883 -0.720 -0.357 1.00 0.00 C ATOM 1543 O ILE A 95 104.822 0.011 -0.111 1.00 0.00 O ATOM 1544 CB ILE A 95 101.627 0.307 -0.519 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.047 -0.740 0.437 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.542 0.783 -1.484 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.789 -0.180 1.111 1.00 0.00 C ATOM 0 H ILE A 95 101.454 -1.956 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 95 103.149 0.423 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 95 101.995 1.155 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.804 -1.651 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.787 -1.008 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.720 1.223 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.959 1.530 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.172 -0.064 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.378 -0.926 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.046 0.719 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.048 0.066 0.351 1.00 0.00 H new ATOM 1559 N LEU A 96 103.770 -1.893 0.186 1.00 0.00 N ATOM 1560 CA LEU A 96 104.798 -2.389 1.138 1.00 0.00 C ATOM 1561 C LEU A 96 106.007 -2.906 0.350 1.00 0.00 C ATOM 1562 O LEU A 96 107.113 -2.958 0.850 1.00 0.00 O ATOM 1563 CB LEU A 96 104.174 -3.528 1.965 1.00 0.00 C ATOM 1564 CG LEU A 96 103.566 -2.974 3.272 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.463 -3.915 3.767 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.656 -2.866 4.348 1.00 0.00 C ATOM 0 H LEU A 96 103.000 -2.539 0.010 1.00 0.00 H new ATOM 0 HA LEU A 96 105.129 -1.590 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.402 -4.029 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 96 104.933 -4.275 2.198 1.00 0.00 H new ATOM 0 HG LEU A 96 103.146 -1.987 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.036 -3.521 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.683 -3.991 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.884 -4.903 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.222 -2.475 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.079 -3.852 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.442 -2.194 4.003 1.00 0.00 H new ATOM 1578 N LYS A 97 105.798 -3.292 -0.874 1.00 0.00 N ATOM 1579 CA LYS A 97 106.926 -3.811 -1.699 1.00 0.00 C ATOM 1580 C LYS A 97 107.853 -2.657 -2.084 1.00 0.00 C ATOM 1581 O LYS A 97 109.057 -2.805 -2.127 1.00 0.00 O ATOM 1582 CB LYS A 97 106.366 -4.473 -2.963 1.00 0.00 C ATOM 1583 CG LYS A 97 107.516 -4.956 -3.885 1.00 0.00 C ATOM 1584 CD LYS A 97 107.726 -3.972 -5.042 1.00 0.00 C ATOM 1585 CE LYS A 97 109.060 -4.264 -5.731 1.00 0.00 C ATOM 1586 NZ LYS A 97 110.181 -3.819 -4.856 1.00 0.00 N ATOM 0 H LYS A 97 104.892 -3.271 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 97 107.491 -4.546 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 97 105.735 -5.318 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 97 105.735 -3.766 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 97 108.436 -5.051 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 97 107.283 -5.945 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 97 106.909 -4.058 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 97 107.715 -2.948 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 97 109.148 -5.330 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 97 109.106 -3.748 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.694 -3.041 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 109.801 -3.491 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.832 -4.614 -4.694 1.00 0.00 H new ATOM 1600 N LYS A 98 107.303 -1.508 -2.367 1.00 0.00 N ATOM 1601 CA LYS A 98 108.151 -0.347 -2.750 1.00 0.00 C ATOM 1602 C LYS A 98 108.724 0.301 -1.489 1.00 0.00 C ATOM 1603 O LYS A 98 109.627 1.112 -1.551 1.00 0.00 O ATOM 1604 CB LYS A 98 107.302 0.687 -3.502 1.00 0.00 C ATOM 1605 CG LYS A 98 106.504 0.020 -4.635 1.00 0.00 C ATOM 1606 CD LYS A 98 107.416 -0.231 -5.840 1.00 0.00 C ATOM 1607 CE LYS A 98 106.622 -0.914 -6.956 1.00 0.00 C ATOM 1608 NZ LYS A 98 105.296 -0.252 -7.104 1.00 0.00 N ATOM 0 H LYS A 98 106.300 -1.324 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 98 108.962 -0.691 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 106.618 1.176 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 98 107.947 1.463 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 98 106.080 -0.922 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 98 105.669 0.657 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 98 107.828 0.712 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 98 108.259 -0.856 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 98 107.174 -0.859 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 98 106.488 -1.971 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 104.934 -0.411 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 104.629 -0.651 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 105.397 0.769 -6.937 1.00 0.00 H new ATOM 1622 N LYS A 99 108.199 -0.041 -0.345 1.00 0.00 N ATOM 1623 CA LYS A 99 108.702 0.562 0.919 1.00 0.00 C ATOM 1624 C LYS A 99 109.950 -0.186 1.399 1.00 0.00 C ATOM 1625 O LYS A 99 110.684 0.295 2.240 1.00 0.00 O ATOM 1626 CB LYS A 99 107.610 0.477 1.987 1.00 0.00 C ATOM 1627 CG LYS A 99 106.510 1.520 1.703 1.00 0.00 C ATOM 1628 CD LYS A 99 106.865 2.860 2.362 1.00 0.00 C ATOM 1629 CE LYS A 99 105.996 3.969 1.764 1.00 0.00 C ATOM 1630 NZ LYS A 99 104.632 3.435 1.488 1.00 0.00 N ATOM 0 H LYS A 99 107.441 -0.714 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 99 108.963 1.605 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 99 107.179 -0.524 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 99 108.041 0.650 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 99 106.396 1.655 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 99 105.553 1.162 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 99 106.708 2.801 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.920 3.086 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 99 105.936 4.811 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 99 106.446 4.342 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 103.966 4.226 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 104.650 2.872 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 104.327 2.835 2.281 1.00 0.00 H new ATOM 1644 N LYS A 100 110.198 -1.357 0.880 1.00 0.00 N ATOM 1645 CA LYS A 100 111.400 -2.121 1.323 1.00 0.00 C ATOM 1646 C LYS A 100 112.666 -1.333 0.973 1.00 0.00 C ATOM 1647 O LYS A 100 113.643 -1.470 1.690 1.00 0.00 O ATOM 1648 CB LYS A 100 111.428 -3.489 0.629 1.00 0.00 C ATOM 1649 CG LYS A 100 111.764 -3.317 -0.857 1.00 0.00 C ATOM 1650 CD LYS A 100 111.389 -4.591 -1.620 1.00 0.00 C ATOM 1651 CE LYS A 100 112.083 -5.795 -0.979 1.00 0.00 C ATOM 1652 NZ LYS A 100 112.039 -6.951 -1.918 1.00 0.00 N ATOM 1653 OXT LYS A 100 112.636 -0.607 -0.007 1.00 0.00 O ATOM 0 H LYS A 100 109.625 -1.816 0.172 1.00 0.00 H new ATOM 0 HA LYS A 100 111.357 -2.270 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.168 -4.132 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 100 110.461 -3.981 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.223 -2.464 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.827 -3.108 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.308 -4.731 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.685 -4.502 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.117 -5.547 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.591 -6.055 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 112.510 -7.770 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 111.049 -7.192 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.527 -6.700 -2.801 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 88.252 -17.041 12.458 1.00 0.00 N ATOM 1669 CA SER B 1 89.260 -17.076 11.361 1.00 0.00 C ATOM 1670 C SER B 1 89.661 -15.646 10.989 1.00 0.00 C ATOM 1671 O SER B 1 90.778 -15.225 11.215 1.00 0.00 O ATOM 1672 CB SER B 1 88.660 -17.773 10.140 1.00 0.00 C ATOM 1673 OG SER B 1 89.704 -18.128 9.241 1.00 0.00 O ATOM 0 H1 SER B 1 87.980 -18.012 12.710 1.00 0.00 H new ATOM 0 H2 SER B 1 88.660 -16.569 13.290 1.00 0.00 H new ATOM 0 H3 SER B 1 87.411 -16.517 12.140 1.00 0.00 H new ATOM 0 HA SER B 1 90.141 -17.624 11.695 1.00 0.00 H new ATOM 0 HB2 SER B 1 88.111 -18.663 10.448 1.00 0.00 H new ATOM 0 HB3 SER B 1 87.946 -17.114 9.645 1.00 0.00 H new ATOM 0 HG SER B 1 89.323 -18.577 8.458 1.00 0.00 H new ATOM 1681 N TRP B 2 88.756 -14.894 10.421 1.00 0.00 N ATOM 1682 CA TRP B 2 89.086 -13.492 10.036 1.00 0.00 C ATOM 1683 C TRP B 2 90.358 -13.484 9.177 1.00 0.00 C ATOM 1684 O TRP B 2 90.938 -14.512 8.889 1.00 0.00 O ATOM 1685 CB TRP B 2 89.315 -12.651 11.310 1.00 0.00 C ATOM 1686 CG TRP B 2 88.022 -12.080 11.802 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.281 -12.586 12.812 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.318 -10.897 11.330 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.165 -11.788 12.991 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.144 -10.732 12.100 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.585 -9.960 10.316 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.265 -9.673 11.873 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.703 -8.892 10.085 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.547 -8.749 10.862 1.00 0.00 C ATOM 0 H TRP B 2 87.804 -15.190 10.207 1.00 0.00 H new ATOM 0 HA TRP B 2 88.261 -13.066 9.464 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.764 -13.271 12.086 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.018 -11.845 11.099 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.521 -13.469 13.386 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.446 -11.958 13.694 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.474 -10.062 9.711 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.374 -9.567 12.473 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 86.917 -8.177 9.304 1.00 0.00 H new ATOM 0 HH2 TRP B 2 84.873 -7.925 10.680 1.00 0.00 H new ATOM 1705 N VAL B 3 90.793 -12.318 8.780 1.00 0.00 N ATOM 1706 CA VAL B 3 92.024 -12.197 7.953 1.00 0.00 C ATOM 1707 C VAL B 3 92.688 -10.858 8.288 1.00 0.00 C ATOM 1708 O VAL B 3 92.020 -9.871 8.529 1.00 0.00 O ATOM 1709 CB VAL B 3 91.659 -12.269 6.464 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.438 -11.399 6.193 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.837 -11.779 5.614 1.00 0.00 C ATOM 0 H VAL B 3 90.338 -11.431 8.999 1.00 0.00 H new ATOM 0 HA VAL B 3 92.715 -13.013 8.167 1.00 0.00 H new ATOM 0 HB VAL B 3 91.433 -13.303 6.202 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.181 -11.452 5.135 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.598 -11.756 6.789 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.660 -10.366 6.461 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.571 -11.833 4.558 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.071 -10.748 5.877 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.707 -12.408 5.801 1.00 0.00 H new HETATM 1721 N PTR B 4 93.996 -10.826 8.332 1.00 0.00 N HETATM 1722 CA PTR B 4 94.724 -9.564 8.684 1.00 0.00 C HETATM 1723 C PTR B 4 95.531 -9.076 7.478 1.00 0.00 C HETATM 1724 O PTR B 4 95.334 -9.519 6.364 1.00 0.00 O HETATM 1725 CB PTR B 4 95.679 -9.856 9.847 1.00 0.00 C HETATM 1726 CG PTR B 4 94.903 -9.965 11.146 1.00 0.00 C HETATM 1727 CD1 PTR B 4 93.955 -10.986 11.321 1.00 0.00 C HETATM 1728 CD2 PTR B 4 95.141 -9.052 12.185 1.00 0.00 C HETATM 1729 CE1 PTR B 4 93.253 -11.091 12.528 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.435 -9.157 13.389 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.492 -10.177 13.562 1.00 0.00 C HETATM 1732 OH PTR B 4 92.755 -10.294 14.840 1.00 0.00 O HETATM 1733 P PTR B 4 91.442 -9.626 14.708 1.00 0.00 P HETATM 1734 O1P PTR B 4 91.638 -8.251 14.193 1.00 0.00 O HETATM 1735 O2P PTR B 4 90.784 -9.567 16.032 1.00 0.00 O HETATM 1736 O3P PTR B 4 90.593 -10.392 13.770 1.00 0.00 O HETATM 0 HE2 PTR B 4 94.620 -8.444 14.193 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.519 -11.886 12.663 1.00 0.00 H new HETATM 0 HD2 PTR B 4 95.877 -8.259 12.054 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.766 -11.697 10.517 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.220 -10.783 9.659 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.423 -9.063 9.924 1.00 0.00 H new HETATM 0 HA PTR B 4 94.007 -8.794 8.969 1.00 0.00 H new ATOM 1745 N SER B 5 96.445 -8.162 7.701 1.00 0.00 N ATOM 1746 CA SER B 5 97.286 -7.627 6.587 1.00 0.00 C ATOM 1747 C SER B 5 98.736 -7.488 7.098 1.00 0.00 C ATOM 1748 O SER B 5 98.937 -7.331 8.286 1.00 0.00 O ATOM 1749 CB SER B 5 96.741 -6.250 6.175 1.00 0.00 C ATOM 1750 OG SER B 5 97.477 -5.230 6.839 1.00 0.00 O ATOM 0 H SER B 5 96.645 -7.761 8.617 1.00 0.00 H new ATOM 0 HA SER B 5 97.262 -8.296 5.726 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.819 -6.125 5.095 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.684 -6.175 6.429 1.00 0.00 H new ATOM 0 HG SER B 5 96.870 -4.696 7.392 1.00 0.00 H new ATOM 1756 N PRO B 6 99.714 -7.544 6.211 1.00 0.00 N ATOM 1757 CA PRO B 6 101.126 -7.417 6.626 1.00 0.00 C ATOM 1758 C PRO B 6 101.358 -6.050 7.294 1.00 0.00 C ATOM 1759 O PRO B 6 102.238 -5.894 8.117 1.00 0.00 O ATOM 1760 CB PRO B 6 101.941 -7.550 5.318 1.00 0.00 C ATOM 1761 CG PRO B 6 100.924 -7.613 4.142 1.00 0.00 C ATOM 1762 CD PRO B 6 99.512 -7.735 4.758 1.00 0.00 C ATOM 0 HA PRO B 6 101.419 -8.172 7.356 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.615 -6.702 5.198 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.559 -8.448 5.340 1.00 0.00 H new ATOM 0 HG2 PRO B 6 100.997 -6.719 3.523 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.136 -8.465 3.496 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.837 -6.983 4.351 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.071 -8.709 4.545 1.00 0.00 H new ATOM 1770 N LEU B 7 100.578 -5.061 6.942 1.00 0.00 N ATOM 1771 CA LEU B 7 100.757 -3.713 7.551 1.00 0.00 C ATOM 1772 C LEU B 7 100.903 -3.845 9.069 1.00 0.00 C ATOM 1773 O LEU B 7 99.930 -3.880 9.796 1.00 0.00 O ATOM 1774 CB LEU B 7 99.536 -2.841 7.231 1.00 0.00 C ATOM 1775 CG LEU B 7 99.364 -2.700 5.703 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.897 -2.402 5.373 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.231 -1.546 5.178 1.00 0.00 C ATOM 0 H LEU B 7 99.824 -5.131 6.258 1.00 0.00 H new ATOM 0 HA LEU B 7 101.655 -3.251 7.141 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.640 -3.284 7.665 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.655 -1.856 7.683 1.00 0.00 H new ATOM 0 HG LEU B 7 99.671 -3.633 5.231 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.780 -2.303 4.294 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.270 -3.218 5.733 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.597 -1.473 5.857 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.102 -1.456 4.099 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.929 -0.616 5.659 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.279 -1.747 5.403 1.00 0.00 H new ATOM 1789 N HIS B 8 102.114 -3.916 9.553 1.00 0.00 N ATOM 1790 CA HIS B 8 102.330 -4.042 11.021 1.00 0.00 C ATOM 1791 C HIS B 8 102.284 -2.651 11.659 1.00 0.00 C ATOM 1792 O HIS B 8 102.153 -1.687 10.923 1.00 0.00 O ATOM 1793 CB HIS B 8 103.698 -4.683 11.274 1.00 0.00 C ATOM 1794 CG HIS B 8 104.701 -4.123 10.304 1.00 0.00 C ATOM 1795 ND1 HIS B 8 105.538 -4.935 9.555 1.00 0.00 N ATOM 1796 CD2 HIS B 8 105.011 -2.834 9.946 1.00 0.00 C ATOM 1797 CE1 HIS B 8 106.304 -4.134 8.792 1.00 0.00 C ATOM 1798 NE2 HIS B 8 106.024 -2.844 8.991 1.00 0.00 N ATOM 1799 OXT HIS B 8 102.381 -2.574 12.873 1.00 0.00 O ATOM 0 H HIS B 8 102.965 -3.892 8.992 1.00 0.00 H new ATOM 0 HA HIS B 8 101.551 -4.666 11.459 1.00 0.00 H new ATOM 0 HB2 HIS B 8 104.019 -4.489 12.298 1.00 0.00 H new ATOM 0 HB3 HIS B 8 103.631 -5.765 11.160 1.00 0.00 H new ATOM 0 HD2 HIS B 8 104.541 -1.947 10.345 1.00 0.00 H new ATOM 0 HE1 HIS B 8 107.054 -4.491 8.102 1.00 0.00 H new ATOM 0 HE2 HIS B 8 106.459 -2.039 8.540 1.00 0.00 H new TER 1807 HIS B 8