USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -89:sc= 0.314 USER MOD Set 1.2: A 9 THR OG1 : rot -32:sc= 0.175 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0196 (180deg=-0.778) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0923 (180deg=-0.189) USER MOD Single : A 2 GLN : amide:sc= 0.0908 K(o=0.091,f=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.069) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.803 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.224 (180deg=-0.499) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.983) USER MOD Single : A 31 GLN : amide:sc= -2.17! C(o=-2.2!,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 41 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -1.77 (180deg=-3.88!) USER MOD Single : A 49 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 120:sc= 0.778 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.65! C(o=-1.6!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.903 -11.390 0.049 1.00 0.00 N ATOM 2 CA MET A 1 51.313 -11.499 0.520 1.00 0.00 C ATOM 3 C MET A 1 51.827 -10.116 0.905 1.00 0.00 C ATOM 4 O MET A 1 51.272 -9.100 0.488 1.00 0.00 O ATOM 5 CB MET A 1 52.177 -12.085 -0.599 1.00 0.00 C ATOM 6 CG MET A 1 51.928 -13.591 -0.701 1.00 0.00 C ATOM 7 SD MET A 1 52.435 -14.175 -2.339 1.00 0.00 S ATOM 8 CE MET A 1 54.181 -13.718 -2.212 1.00 0.00 C ATOM 0 H1 MET A 1 49.261 -11.732 0.792 1.00 0.00 H new ATOM 0 H2 MET A 1 49.685 -10.396 -0.166 1.00 0.00 H new ATOM 0 H3 MET A 1 49.778 -11.965 -0.808 1.00 0.00 H new ATOM 0 HA MET A 1 51.362 -12.153 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.940 -11.602 -1.547 1.00 0.00 H new ATOM 0 HB3 MET A 1 53.231 -11.893 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 1 52.487 -14.116 0.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.873 -13.808 -0.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 54.757 -14.274 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 54.291 -12.649 -2.394 1.00 0.00 H new ATOM 0 HE3 MET A 1 54.548 -13.956 -1.213 1.00 0.00 H new ATOM 20 N GLN A 2 52.889 -10.086 1.702 1.00 0.00 N ATOM 21 CA GLN A 2 53.469 -8.821 2.138 1.00 0.00 C ATOM 22 C GLN A 2 54.856 -9.043 2.731 1.00 0.00 C ATOM 23 O GLN A 2 55.170 -10.134 3.208 1.00 0.00 O ATOM 24 CB GLN A 2 52.566 -8.163 3.182 1.00 0.00 C ATOM 25 CG GLN A 2 52.845 -8.771 4.557 1.00 0.00 C ATOM 26 CD GLN A 2 51.659 -8.532 5.484 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.511 -8.723 5.087 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.869 -8.125 6.707 1.00 0.00 N ATOM 0 H GLN A 2 53.363 -10.916 2.057 1.00 0.00 H new ATOM 0 HA GLN A 2 53.557 -8.167 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.744 -7.088 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.519 -8.307 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 2 53.031 -9.841 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 2 53.745 -8.328 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 2 52.822 -7.967 7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 2 51.080 -7.965 7.334 1.00 0.00 H new ATOM 37 N ILE A 3 55.681 -8.002 2.699 1.00 0.00 N ATOM 38 CA ILE A 3 57.036 -8.088 3.235 1.00 0.00 C ATOM 39 C ILE A 3 57.330 -6.896 4.140 1.00 0.00 C ATOM 40 O ILE A 3 56.523 -5.971 4.243 1.00 0.00 O ATOM 41 CB ILE A 3 58.047 -8.128 2.092 1.00 0.00 C ATOM 42 CG1 ILE A 3 57.715 -7.029 1.081 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.982 -9.491 1.401 1.00 0.00 C ATOM 44 CD1 ILE A 3 58.882 -6.867 0.106 1.00 0.00 C ATOM 0 H ILE A 3 55.437 -7.092 2.309 1.00 0.00 H new ATOM 0 HA ILE A 3 57.118 -9.003 3.822 1.00 0.00 H new ATOM 0 HB ILE A 3 59.050 -7.969 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 3 56.805 -7.282 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.526 -6.089 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.704 -9.520 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.216 -10.275 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.979 -9.650 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 3 58.647 -6.084 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 3 59.782 -6.594 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.050 -7.807 -0.420 1.00 0.00 H new ATOM 56 N PHE A 4 58.489 -6.925 4.793 1.00 0.00 N ATOM 57 CA PHE A 4 58.880 -5.842 5.690 1.00 0.00 C ATOM 58 C PHE A 4 60.313 -5.402 5.410 1.00 0.00 C ATOM 59 O PHE A 4 61.199 -6.236 5.217 1.00 0.00 O ATOM 60 CB PHE A 4 58.767 -6.303 7.144 1.00 0.00 C ATOM 61 CG PHE A 4 57.313 -6.414 7.527 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.564 -5.259 7.782 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.710 -7.675 7.628 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.214 -5.363 8.136 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.360 -7.778 7.983 1.00 0.00 C ATOM 66 CZ PHE A 4 54.612 -6.623 8.238 1.00 0.00 C ATOM 0 H PHE A 4 59.169 -7.681 4.719 1.00 0.00 H new ATOM 0 HA PHE A 4 58.212 -4.998 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.261 -7.266 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.274 -5.596 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.028 -4.287 7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.287 -8.567 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.637 -4.471 8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.895 -8.750 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.571 -6.704 8.513 1.00 0.00 H new ATOM 76 N VAL A 5 60.532 -4.089 5.395 1.00 0.00 N ATOM 77 CA VAL A 5 61.862 -3.542 5.144 1.00 0.00 C ATOM 78 C VAL A 5 62.367 -2.790 6.372 1.00 0.00 C ATOM 79 O VAL A 5 61.701 -1.886 6.875 1.00 0.00 O ATOM 80 CB VAL A 5 61.823 -2.592 3.944 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.250 -2.198 3.559 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.151 -3.293 2.762 1.00 0.00 C ATOM 0 H VAL A 5 59.809 -3.387 5.553 1.00 0.00 H new ATOM 0 HA VAL A 5 62.539 -4.368 4.928 1.00 0.00 H new ATOM 0 HB VAL A 5 61.258 -1.698 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.223 -1.522 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.730 -1.699 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.816 -3.092 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.123 -2.618 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 5 61.717 -4.187 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.134 -3.574 3.036 1.00 0.00 H new ATOM 92 N LYS A 6 63.547 -3.170 6.849 1.00 0.00 N ATOM 93 CA LYS A 6 64.130 -2.526 8.020 1.00 0.00 C ATOM 94 C LYS A 6 65.150 -1.473 7.602 1.00 0.00 C ATOM 95 O LYS A 6 66.015 -1.729 6.764 1.00 0.00 O ATOM 96 CB LYS A 6 64.809 -3.572 8.909 1.00 0.00 C ATOM 97 CG LYS A 6 65.438 -2.881 10.120 1.00 0.00 C ATOM 98 CD LYS A 6 65.641 -3.901 11.240 1.00 0.00 C ATOM 99 CE LYS A 6 66.500 -3.284 12.346 1.00 0.00 C ATOM 100 NZ LYS A 6 67.931 -3.302 11.931 1.00 0.00 N ATOM 0 H LYS A 6 64.115 -3.915 6.446 1.00 0.00 H new ATOM 0 HA LYS A 6 63.330 -2.039 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.081 -4.313 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.573 -4.105 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.393 -2.435 9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.796 -2.070 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.677 -4.210 11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 6 66.123 -4.796 10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 66.180 -2.261 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 6 66.372 -3.841 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 68.532 -3.059 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 68.181 -4.251 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 68.081 -2.608 11.171 1.00 0.00 H new ATOM 114 N THR A 7 65.041 -0.285 8.190 1.00 0.00 N ATOM 115 CA THR A 7 65.960 0.802 7.874 1.00 0.00 C ATOM 116 C THR A 7 66.988 0.976 8.985 1.00 0.00 C ATOM 117 O THR A 7 67.071 0.157 9.901 1.00 0.00 O ATOM 118 CB THR A 7 65.180 2.107 7.690 1.00 0.00 C ATOM 119 OG1 THR A 7 64.511 2.431 8.903 1.00 0.00 O ATOM 120 CG2 THR A 7 64.152 1.938 6.570 1.00 0.00 C ATOM 0 H THR A 7 64.330 -0.052 8.883 1.00 0.00 H new ATOM 0 HA THR A 7 66.481 0.555 6.949 1.00 0.00 H new ATOM 0 HB THR A 7 65.870 2.909 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.626 2.010 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.598 2.868 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.664 1.689 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.460 1.137 6.829 1.00 0.00 H new ATOM 128 N LEU A 8 67.773 2.045 8.898 1.00 0.00 N ATOM 129 CA LEU A 8 68.793 2.316 9.904 1.00 0.00 C ATOM 130 C LEU A 8 68.173 2.961 11.138 1.00 0.00 C ATOM 131 O LEU A 8 68.814 3.068 12.184 1.00 0.00 O ATOM 132 CB LEU A 8 69.865 3.242 9.325 1.00 0.00 C ATOM 133 CG LEU A 8 70.605 2.523 8.197 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.057 3.544 7.151 1.00 0.00 C ATOM 135 CD2 LEU A 8 71.829 1.804 8.767 1.00 0.00 C ATOM 0 H LEU A 8 67.723 2.733 8.147 1.00 0.00 H new ATOM 0 HA LEU A 8 69.249 1.370 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.406 4.156 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.567 3.536 10.105 1.00 0.00 H new ATOM 0 HG LEU A 8 69.939 1.796 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.585 3.032 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.186 4.058 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.723 4.271 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.357 1.291 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 8 72.494 2.531 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.509 1.076 9.513 1.00 0.00 H new ATOM 147 N THR A 9 66.922 3.393 11.008 1.00 0.00 N ATOM 148 CA THR A 9 66.224 4.027 12.120 1.00 0.00 C ATOM 149 C THR A 9 65.263 3.045 12.782 1.00 0.00 C ATOM 150 O THR A 9 64.709 3.324 13.846 1.00 0.00 O ATOM 151 CB THR A 9 65.446 5.247 11.621 1.00 0.00 C ATOM 152 OG1 THR A 9 64.357 4.814 10.818 1.00 0.00 O ATOM 153 CG2 THR A 9 66.371 6.140 10.792 1.00 0.00 C ATOM 0 H THR A 9 66.375 3.316 10.151 1.00 0.00 H new ATOM 0 HA THR A 9 66.964 4.343 12.855 1.00 0.00 H new ATOM 0 HB THR A 9 65.068 5.812 12.473 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.606 3.992 10.345 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.816 7.008 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 9 67.207 6.471 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.750 5.578 9.938 1.00 0.00 H new ATOM 161 N GLY A 10 65.069 1.893 12.147 1.00 0.00 N ATOM 162 CA GLY A 10 64.174 0.875 12.684 1.00 0.00 C ATOM 163 C GLY A 10 62.824 0.911 11.976 1.00 0.00 C ATOM 164 O GLY A 10 62.155 -0.114 11.842 1.00 0.00 O ATOM 0 H GLY A 10 65.517 1.643 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.625 -0.110 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.033 1.036 13.753 1.00 0.00 H new ATOM 168 N LYS A 11 62.428 2.097 11.526 1.00 0.00 N ATOM 169 CA LYS A 11 61.155 2.255 10.831 1.00 0.00 C ATOM 170 C LYS A 11 60.924 1.096 9.866 1.00 0.00 C ATOM 171 O LYS A 11 61.631 0.957 8.868 1.00 0.00 O ATOM 172 CB LYS A 11 61.141 3.576 10.060 1.00 0.00 C ATOM 173 CG LYS A 11 59.726 4.157 10.066 1.00 0.00 C ATOM 174 CD LYS A 11 59.688 5.418 9.201 1.00 0.00 C ATOM 175 CE LYS A 11 58.234 5.808 8.929 1.00 0.00 C ATOM 176 NZ LYS A 11 58.190 7.170 8.328 1.00 0.00 N ATOM 0 H LYS A 11 62.966 2.958 11.629 1.00 0.00 H new ATOM 0 HA LYS A 11 60.356 2.260 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.837 4.281 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.475 3.414 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.018 3.421 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.423 4.394 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.206 6.234 9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.210 5.242 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 11 57.773 5.086 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.662 5.789 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.202 7.436 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.615 7.854 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.722 7.173 7.435 1.00 0.00 H new ATOM 190 N THR A 12 59.932 0.267 10.171 1.00 0.00 N ATOM 191 CA THR A 12 59.619 -0.877 9.323 1.00 0.00 C ATOM 192 C THR A 12 58.553 -0.508 8.296 1.00 0.00 C ATOM 193 O THR A 12 57.468 -0.047 8.651 1.00 0.00 O ATOM 194 CB THR A 12 59.123 -2.044 10.179 1.00 0.00 C ATOM 195 OG1 THR A 12 59.890 -2.113 11.372 1.00 0.00 O ATOM 196 CG2 THR A 12 59.272 -3.352 9.399 1.00 0.00 C ATOM 0 H THR A 12 59.335 0.364 10.992 1.00 0.00 H new ATOM 0 HA THR A 12 60.527 -1.173 8.797 1.00 0.00 H new ATOM 0 HB THR A 12 58.073 -1.891 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.573 -2.859 11.922 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.918 -4.182 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.683 -3.299 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.321 -3.508 9.147 1.00 0.00 H new ATOM 204 N ILE A 13 58.872 -0.719 7.022 1.00 0.00 N ATOM 205 CA ILE A 13 57.937 -0.410 5.944 1.00 0.00 C ATOM 206 C ILE A 13 57.355 -1.693 5.361 1.00 0.00 C ATOM 207 O ILE A 13 58.067 -2.681 5.182 1.00 0.00 O ATOM 208 CB ILE A 13 58.652 0.374 4.842 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.982 0.906 5.379 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.776 1.545 4.397 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.616 1.837 4.342 1.00 0.00 C ATOM 0 H ILE A 13 59.766 -1.101 6.712 1.00 0.00 H new ATOM 0 HA ILE A 13 57.126 0.194 6.351 1.00 0.00 H new ATOM 0 HB ILE A 13 58.838 -0.282 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.820 1.442 6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.655 0.077 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.286 2.103 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.828 1.166 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.588 2.202 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.564 2.216 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.792 1.286 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.944 2.672 4.144 1.00 0.00 H new ATOM 223 N THR A 14 56.058 -1.668 5.065 1.00 0.00 N ATOM 224 CA THR A 14 55.390 -2.837 4.503 1.00 0.00 C ATOM 225 C THR A 14 55.118 -2.633 3.015 1.00 0.00 C ATOM 226 O THR A 14 54.476 -1.662 2.620 1.00 0.00 O ATOM 227 CB THR A 14 54.068 -3.084 5.234 1.00 0.00 C ATOM 228 OG1 THR A 14 54.252 -2.864 6.626 1.00 0.00 O ATOM 229 CG2 THR A 14 53.614 -4.524 4.998 1.00 0.00 C ATOM 0 H THR A 14 55.454 -0.858 5.204 1.00 0.00 H new ATOM 0 HA THR A 14 56.042 -3.701 4.628 1.00 0.00 H new ATOM 0 HB THR A 14 53.308 -2.401 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.841 -3.556 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.673 -4.699 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.474 -4.691 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.371 -5.211 5.376 1.00 0.00 H new ATOM 237 N LEU A 15 55.616 -3.560 2.198 1.00 0.00 N ATOM 238 CA LEU A 15 55.428 -3.482 0.754 1.00 0.00 C ATOM 239 C LEU A 15 54.729 -4.735 0.235 1.00 0.00 C ATOM 240 O LEU A 15 54.965 -5.837 0.729 1.00 0.00 O ATOM 241 CB LEU A 15 56.783 -3.329 0.059 1.00 0.00 C ATOM 242 CG LEU A 15 57.009 -1.862 -0.306 1.00 0.00 C ATOM 243 CD1 LEU A 15 56.935 -1.003 0.958 1.00 0.00 C ATOM 244 CD2 LEU A 15 58.389 -1.703 -0.948 1.00 0.00 C ATOM 0 H LEU A 15 56.150 -4.370 2.512 1.00 0.00 H new ATOM 0 HA LEU A 15 54.805 -2.615 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.581 -3.678 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.815 -3.947 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 15 56.240 -1.541 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.096 0.043 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 55.953 -1.115 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 57.703 -1.324 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 15 58.551 -0.657 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 59.157 -2.025 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 58.444 -2.314 -1.849 1.00 0.00 H new ATOM 256 N GLU A 16 53.870 -4.556 -0.763 1.00 0.00 N ATOM 257 CA GLU A 16 53.140 -5.678 -1.344 1.00 0.00 C ATOM 258 C GLU A 16 53.752 -6.077 -2.683 1.00 0.00 C ATOM 259 O GLU A 16 53.954 -5.235 -3.559 1.00 0.00 O ATOM 260 CB GLU A 16 51.672 -5.298 -1.543 1.00 0.00 C ATOM 261 CG GLU A 16 50.850 -6.557 -1.825 1.00 0.00 C ATOM 262 CD GLU A 16 49.531 -6.179 -2.490 1.00 0.00 C ATOM 263 OE1 GLU A 16 48.754 -5.477 -1.864 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.319 -6.594 -3.617 1.00 0.00 O ATOM 0 H GLU A 16 53.663 -3.651 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 16 53.205 -6.525 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.292 -4.795 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.577 -4.596 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.412 -7.232 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.658 -7.092 -0.895 1.00 0.00 H new ATOM 271 N VAL A 17 54.043 -7.363 -2.837 1.00 0.00 N ATOM 272 CA VAL A 17 54.632 -7.860 -4.074 1.00 0.00 C ATOM 273 C VAL A 17 54.131 -9.268 -4.382 1.00 0.00 C ATOM 274 O VAL A 17 53.680 -9.985 -3.489 1.00 0.00 O ATOM 275 CB VAL A 17 56.157 -7.876 -3.958 1.00 0.00 C ATOM 276 CG1 VAL A 17 56.641 -6.531 -3.411 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.583 -8.995 -3.006 1.00 0.00 C ATOM 0 H VAL A 17 53.882 -8.076 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 17 54.335 -7.195 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 17 56.595 -8.048 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 17 57.728 -6.542 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 17 56.337 -5.732 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.204 -6.360 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.670 -9.008 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.145 -8.822 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.238 -9.954 -3.394 1.00 0.00 H new ATOM 287 N GLU A 18 54.211 -9.655 -5.652 1.00 0.00 N ATOM 288 CA GLU A 18 53.763 -10.978 -6.068 1.00 0.00 C ATOM 289 C GLU A 18 54.964 -11.903 -6.276 1.00 0.00 C ATOM 290 O GLU A 18 56.077 -11.435 -6.518 1.00 0.00 O ATOM 291 CB GLU A 18 52.967 -10.867 -7.371 1.00 0.00 C ATOM 292 CG GLU A 18 51.471 -10.815 -7.057 1.00 0.00 C ATOM 293 CD GLU A 18 50.678 -10.552 -8.333 1.00 0.00 C ATOM 294 OE1 GLU A 18 51.282 -10.565 -9.394 1.00 0.00 O ATOM 295 OE2 GLU A 18 49.483 -10.340 -8.231 1.00 0.00 O ATOM 0 H GLU A 18 54.580 -9.075 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 18 53.127 -11.396 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.266 -9.971 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.184 -11.719 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.152 -11.756 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.271 -10.031 -6.327 1.00 0.00 H new ATOM 302 N PRO A 19 54.768 -13.197 -6.189 1.00 0.00 N ATOM 303 CA PRO A 19 55.870 -14.186 -6.375 1.00 0.00 C ATOM 304 C PRO A 19 56.372 -14.221 -7.815 1.00 0.00 C ATOM 305 O PRO A 19 57.083 -15.145 -8.212 1.00 0.00 O ATOM 306 CB PRO A 19 55.241 -15.525 -5.984 1.00 0.00 C ATOM 307 CG PRO A 19 53.769 -15.340 -6.145 1.00 0.00 C ATOM 308 CD PRO A 19 53.483 -13.859 -5.904 1.00 0.00 C ATOM 0 HA PRO A 19 56.744 -13.935 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.607 -16.330 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 19 55.493 -15.791 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.448 -15.638 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 19 53.221 -15.960 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 19 52.692 -13.494 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 19 53.159 -13.677 -4.879 1.00 0.00 H new ATOM 316 N SER A 20 55.994 -13.210 -8.591 1.00 0.00 N ATOM 317 CA SER A 20 56.407 -13.127 -9.988 1.00 0.00 C ATOM 318 C SER A 20 56.973 -11.744 -10.299 1.00 0.00 C ATOM 319 O SER A 20 57.176 -11.393 -11.461 1.00 0.00 O ATOM 320 CB SER A 20 55.215 -13.410 -10.901 1.00 0.00 C ATOM 321 OG SER A 20 54.292 -12.332 -10.816 1.00 0.00 O ATOM 0 H SER A 20 55.404 -12.439 -8.278 1.00 0.00 H new ATOM 0 HA SER A 20 57.183 -13.872 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.552 -13.535 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.731 -14.342 -10.608 1.00 0.00 H new ATOM 0 HG SER A 20 53.527 -12.510 -11.402 1.00 0.00 H new ATOM 327 N ASP A 21 57.224 -10.963 -9.252 1.00 0.00 N ATOM 328 CA ASP A 21 57.766 -9.621 -9.426 1.00 0.00 C ATOM 329 C ASP A 21 59.265 -9.607 -9.144 1.00 0.00 C ATOM 330 O ASP A 21 59.773 -10.441 -8.394 1.00 0.00 O ATOM 331 CB ASP A 21 57.059 -8.647 -8.482 1.00 0.00 C ATOM 332 CG ASP A 21 55.549 -8.828 -8.578 1.00 0.00 C ATOM 333 OD1 ASP A 21 55.115 -9.568 -9.448 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.848 -8.228 -7.781 1.00 0.00 O ATOM 0 H ASP A 21 57.062 -11.234 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 21 57.599 -9.313 -10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 57.389 -8.817 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.327 -7.622 -8.737 1.00 0.00 H new ATOM 339 N THR A 22 59.967 -8.656 -9.751 1.00 0.00 N ATOM 340 CA THR A 22 61.407 -8.543 -9.558 1.00 0.00 C ATOM 341 C THR A 22 61.723 -7.517 -8.472 1.00 0.00 C ATOM 342 O THR A 22 60.852 -6.756 -8.052 1.00 0.00 O ATOM 343 CB THR A 22 62.079 -8.126 -10.868 1.00 0.00 C ATOM 344 OG1 THR A 22 61.622 -6.834 -11.241 1.00 0.00 O ATOM 345 CG2 THR A 22 61.729 -9.130 -11.965 1.00 0.00 C ATOM 0 H THR A 22 59.565 -7.957 -10.376 1.00 0.00 H new ATOM 0 HA THR A 22 61.790 -9.515 -9.247 1.00 0.00 H new ATOM 0 HB THR A 22 63.160 -8.104 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.052 -6.564 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.208 -8.832 -12.897 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.080 -10.121 -11.677 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.648 -9.155 -12.104 1.00 0.00 H new ATOM 353 N ILE A 23 62.973 -7.504 -8.023 1.00 0.00 N ATOM 354 CA ILE A 23 63.392 -6.567 -6.986 1.00 0.00 C ATOM 355 C ILE A 23 63.329 -5.134 -7.503 1.00 0.00 C ATOM 356 O ILE A 23 63.315 -4.183 -6.723 1.00 0.00 O ATOM 357 CB ILE A 23 64.819 -6.888 -6.538 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.866 -8.305 -5.949 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.268 -5.869 -5.487 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.562 -8.268 -4.449 1.00 0.00 C ATOM 0 H ILE A 23 63.709 -8.126 -8.357 1.00 0.00 H new ATOM 0 HA ILE A 23 62.715 -6.665 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 23 65.491 -6.835 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 64.142 -8.942 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.850 -8.743 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.285 -6.099 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.240 -4.867 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.600 -5.915 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.599 -9.280 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.302 -7.648 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.568 -7.850 -4.289 1.00 0.00 H new ATOM 372 N GLU A 24 63.292 -4.987 -8.824 1.00 0.00 N ATOM 373 CA GLU A 24 63.232 -3.663 -9.433 1.00 0.00 C ATOM 374 C GLU A 24 62.005 -2.903 -8.939 1.00 0.00 C ATOM 375 O GLU A 24 62.070 -1.701 -8.681 1.00 0.00 O ATOM 376 CB GLU A 24 63.175 -3.792 -10.956 1.00 0.00 C ATOM 377 CG GLU A 24 64.157 -2.805 -11.589 1.00 0.00 C ATOM 378 CD GLU A 24 65.589 -3.277 -11.363 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.073 -4.048 -12.174 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.182 -2.859 -10.381 1.00 0.00 O ATOM 0 H GLU A 24 63.302 -5.761 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 24 64.127 -3.111 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.423 -4.810 -11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.164 -3.593 -11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 24 63.959 -2.717 -12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.019 -1.814 -11.156 1.00 0.00 H new ATOM 387 N ASN A 25 60.889 -3.611 -8.808 1.00 0.00 N ATOM 388 CA ASN A 25 59.653 -2.992 -8.342 1.00 0.00 C ATOM 389 C ASN A 25 59.767 -2.606 -6.872 1.00 0.00 C ATOM 390 O ASN A 25 59.283 -1.552 -6.456 1.00 0.00 O ATOM 391 CB ASN A 25 58.482 -3.961 -8.528 1.00 0.00 C ATOM 392 CG ASN A 25 57.786 -3.691 -9.858 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.707 -3.100 -9.885 1.00 0.00 O ATOM 394 ND2 ASN A 25 58.341 -4.094 -10.968 1.00 0.00 N ATOM 0 H ASN A 25 60.814 -4.607 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 25 59.477 -2.091 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.842 -4.989 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.773 -3.849 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 25 57.880 -3.919 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 25 59.235 -4.584 -10.943 1.00 0.00 H new ATOM 401 N ALA A 26 60.409 -3.466 -6.088 1.00 0.00 N ATOM 402 CA ALA A 26 60.581 -3.205 -4.663 1.00 0.00 C ATOM 403 C ALA A 26 61.390 -1.931 -4.444 1.00 0.00 C ATOM 404 O ALA A 26 61.049 -1.105 -3.596 1.00 0.00 O ATOM 405 CB ALA A 26 61.291 -4.386 -3.999 1.00 0.00 C ATOM 0 H ALA A 26 60.816 -4.343 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 26 59.596 -3.075 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.416 -4.184 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.695 -5.289 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.269 -4.528 -4.459 1.00 0.00 H new ATOM 411 N LYS A 27 62.463 -1.776 -5.213 1.00 0.00 N ATOM 412 CA LYS A 27 63.313 -0.596 -5.093 1.00 0.00 C ATOM 413 C LYS A 27 62.563 0.654 -5.539 1.00 0.00 C ATOM 414 O LYS A 27 62.637 1.699 -4.895 1.00 0.00 O ATOM 415 CB LYS A 27 64.571 -0.769 -5.945 1.00 0.00 C ATOM 416 CG LYS A 27 65.645 -1.495 -5.133 1.00 0.00 C ATOM 417 CD LYS A 27 66.887 -1.706 -6.001 1.00 0.00 C ATOM 418 CE LYS A 27 67.974 -2.400 -5.178 1.00 0.00 C ATOM 419 NZ LYS A 27 67.699 -3.865 -5.130 1.00 0.00 N ATOM 0 H LYS A 27 62.763 -2.447 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 27 63.596 -0.482 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.337 -1.336 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.941 0.204 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.902 -0.913 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.265 -2.455 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.636 -2.309 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.252 -0.748 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 27 68.953 -2.217 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.999 -1.990 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 68.537 -4.364 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.890 -4.046 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.479 -4.208 -6.087 1.00 0.00 H new ATOM 433 N ALA A 28 61.839 0.538 -6.649 1.00 0.00 N ATOM 434 CA ALA A 28 61.078 1.666 -7.174 1.00 0.00 C ATOM 435 C ALA A 28 60.027 2.119 -6.165 1.00 0.00 C ATOM 436 O ALA A 28 59.779 3.315 -6.009 1.00 0.00 O ATOM 437 CB ALA A 28 60.394 1.270 -8.482 1.00 0.00 C ATOM 0 H ALA A 28 61.764 -0.318 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 28 61.767 2.490 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 59.828 2.118 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.148 0.975 -9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.718 0.434 -8.301 1.00 0.00 H new ATOM 443 N LYS A 29 59.412 1.158 -5.485 1.00 0.00 N ATOM 444 CA LYS A 29 58.389 1.473 -4.494 1.00 0.00 C ATOM 445 C LYS A 29 58.980 2.302 -3.358 1.00 0.00 C ATOM 446 O LYS A 29 58.430 3.337 -2.981 1.00 0.00 O ATOM 447 CB LYS A 29 57.795 0.181 -3.928 1.00 0.00 C ATOM 448 CG LYS A 29 56.753 -0.372 -4.903 1.00 0.00 C ATOM 449 CD LYS A 29 56.446 -1.828 -4.548 1.00 0.00 C ATOM 450 CE LYS A 29 55.448 -2.399 -5.556 1.00 0.00 C ATOM 451 NZ LYS A 29 54.207 -2.818 -4.845 1.00 0.00 N ATOM 0 H LYS A 29 59.601 0.162 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 29 57.604 2.052 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.584 -0.554 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.335 0.374 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.842 0.225 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.125 -0.306 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 29 57.363 -2.416 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 56.036 -1.889 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 55.211 -1.651 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.887 -3.251 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.415 -2.850 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.347 -3.761 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.992 -2.136 -4.090 1.00 0.00 H new ATOM 465 N ILE A 30 60.103 1.841 -2.817 1.00 0.00 N ATOM 466 CA ILE A 30 60.758 2.549 -1.723 1.00 0.00 C ATOM 467 C ILE A 30 61.179 3.945 -2.165 1.00 0.00 C ATOM 468 O ILE A 30 61.135 4.895 -1.383 1.00 0.00 O ATOM 469 CB ILE A 30 61.985 1.767 -1.258 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.539 0.661 -0.300 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.950 2.709 -0.534 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.693 -0.309 -0.070 1.00 0.00 C ATOM 0 H ILE A 30 60.575 0.988 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 30 60.051 2.640 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 30 62.488 1.329 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.219 1.094 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.681 0.131 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.825 2.149 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.262 3.502 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.451 3.147 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.375 -1.097 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.992 -0.751 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.538 0.227 0.363 1.00 0.00 H new ATOM 484 N GLN A 31 61.591 4.061 -3.421 1.00 0.00 N ATOM 485 CA GLN A 31 62.024 5.346 -3.960 1.00 0.00 C ATOM 486 C GLN A 31 60.860 6.330 -4.024 1.00 0.00 C ATOM 487 O GLN A 31 61.007 7.499 -3.678 1.00 0.00 O ATOM 488 CB GLN A 31 62.610 5.155 -5.359 1.00 0.00 C ATOM 489 CG GLN A 31 62.809 6.520 -6.019 1.00 0.00 C ATOM 490 CD GLN A 31 61.554 6.914 -6.791 1.00 0.00 C ATOM 491 OE1 GLN A 31 60.972 7.969 -6.536 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.100 6.125 -7.726 1.00 0.00 N ATOM 0 H GLN A 31 61.635 3.286 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 31 62.787 5.753 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.561 4.627 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.943 4.541 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.030 7.271 -5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.665 6.486 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.584 5.252 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.262 6.382 -8.247 1.00 0.00 H new ATOM 501 N ASP A 32 59.707 5.851 -4.476 1.00 0.00 N ATOM 502 CA ASP A 32 58.529 6.705 -4.590 1.00 0.00 C ATOM 503 C ASP A 32 57.896 6.952 -3.223 1.00 0.00 C ATOM 504 O ASP A 32 57.123 7.895 -3.051 1.00 0.00 O ATOM 505 CB ASP A 32 57.501 6.052 -5.517 1.00 0.00 C ATOM 506 CG ASP A 32 57.433 6.811 -6.838 1.00 0.00 C ATOM 507 OD1 ASP A 32 58.478 7.212 -7.323 1.00 0.00 O ATOM 508 OD2 ASP A 32 56.337 6.976 -7.347 1.00 0.00 O ATOM 0 H ASP A 32 59.562 4.884 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 32 58.844 7.663 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.772 5.012 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.521 6.047 -5.040 1.00 0.00 H new ATOM 513 N LYS A 33 58.217 6.098 -2.257 1.00 0.00 N ATOM 514 CA LYS A 33 57.661 6.238 -0.915 1.00 0.00 C ATOM 515 C LYS A 33 58.586 7.053 -0.014 1.00 0.00 C ATOM 516 O LYS A 33 58.124 7.865 0.788 1.00 0.00 O ATOM 517 CB LYS A 33 57.435 4.857 -0.297 1.00 0.00 C ATOM 518 CG LYS A 33 56.432 4.074 -1.146 1.00 0.00 C ATOM 519 CD LYS A 33 55.085 4.019 -0.422 1.00 0.00 C ATOM 520 CE LYS A 33 54.070 3.267 -1.284 1.00 0.00 C ATOM 521 NZ LYS A 33 52.690 3.632 -0.860 1.00 0.00 N ATOM 0 H LYS A 33 58.853 5.309 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 33 56.710 6.765 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.379 4.315 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.062 4.960 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.314 4.549 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.802 3.065 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.198 3.522 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.728 5.029 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.216 3.514 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 33 54.219 2.192 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.000 3.120 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.554 3.375 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.551 4.656 -0.976 1.00 0.00 H new ATOM 535 N GLU A 34 59.888 6.823 -0.138 1.00 0.00 N ATOM 536 CA GLU A 34 60.859 7.536 0.687 1.00 0.00 C ATOM 537 C GLU A 34 61.486 8.699 -0.079 1.00 0.00 C ATOM 538 O GLU A 34 62.109 9.578 0.518 1.00 0.00 O ATOM 539 CB GLU A 34 61.956 6.576 1.146 1.00 0.00 C ATOM 540 CG GLU A 34 61.335 5.451 1.979 1.00 0.00 C ATOM 541 CD GLU A 34 60.781 6.016 3.283 1.00 0.00 C ATOM 542 OE1 GLU A 34 59.569 6.085 3.408 1.00 0.00 O ATOM 543 OE2 GLU A 34 61.576 6.377 4.135 1.00 0.00 O ATOM 0 H GLU A 34 60.294 6.156 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 34 60.335 7.938 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.474 6.160 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.699 7.112 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.538 4.966 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.084 4.688 2.192 1.00 0.00 H new ATOM 550 N GLY A 35 61.322 8.702 -1.398 1.00 0.00 N ATOM 551 CA GLY A 35 61.885 9.769 -2.219 1.00 0.00 C ATOM 552 C GLY A 35 63.393 9.605 -2.366 1.00 0.00 C ATOM 553 O GLY A 35 64.106 10.564 -2.666 1.00 0.00 O ATOM 0 H GLY A 35 60.811 7.988 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.417 9.761 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.663 10.736 -1.768 1.00 0.00 H new ATOM 557 N ILE A 36 63.878 8.385 -2.152 1.00 0.00 N ATOM 558 CA ILE A 36 65.306 8.110 -2.262 1.00 0.00 C ATOM 559 C ILE A 36 65.616 7.427 -3.604 1.00 0.00 C ATOM 560 O ILE A 36 64.934 6.472 -3.976 1.00 0.00 O ATOM 561 CB ILE A 36 65.744 7.196 -1.114 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.279 7.791 0.218 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.269 7.074 -1.107 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.621 6.828 1.356 1.00 0.00 C ATOM 0 H ILE A 36 63.307 7.577 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 36 65.850 9.053 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 36 65.301 6.210 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 36 65.761 8.754 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.205 7.972 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.578 6.423 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.605 6.651 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.712 8.061 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.290 7.252 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.119 5.875 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.699 6.669 1.387 1.00 0.00 H new ATOM 576 N PRO A 37 66.618 7.871 -4.338 1.00 0.00 N ATOM 577 CA PRO A 37 66.973 7.246 -5.647 1.00 0.00 C ATOM 578 C PRO A 37 67.664 5.892 -5.466 1.00 0.00 C ATOM 579 O PRO A 37 68.181 5.594 -4.388 1.00 0.00 O ATOM 580 CB PRO A 37 67.921 8.259 -6.291 1.00 0.00 C ATOM 581 CG PRO A 37 68.542 8.996 -5.153 1.00 0.00 C ATOM 582 CD PRO A 37 67.515 9.001 -4.020 1.00 0.00 C ATOM 0 HA PRO A 37 66.092 7.038 -6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.678 7.760 -6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.382 8.938 -6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.466 8.511 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.800 10.014 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.993 8.869 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 37 66.969 9.944 -3.981 1.00 0.00 H new ATOM 590 N PRO A 38 67.684 5.077 -6.489 1.00 0.00 N ATOM 591 CA PRO A 38 68.330 3.732 -6.433 1.00 0.00 C ATOM 592 C PRO A 38 69.846 3.826 -6.270 1.00 0.00 C ATOM 593 O PRO A 38 70.493 2.873 -5.835 1.00 0.00 O ATOM 594 CB PRO A 38 67.969 3.087 -7.775 1.00 0.00 C ATOM 595 CG PRO A 38 67.637 4.220 -8.689 1.00 0.00 C ATOM 596 CD PRO A 38 67.095 5.346 -7.812 1.00 0.00 C ATOM 0 HA PRO A 38 67.985 3.156 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.801 2.500 -8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.123 2.408 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.521 4.547 -9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.897 3.916 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.391 6.325 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.006 5.335 -7.775 1.00 0.00 H new ATOM 604 N ASP A 39 70.402 4.976 -6.629 1.00 0.00 N ATOM 605 CA ASP A 39 71.844 5.184 -6.527 1.00 0.00 C ATOM 606 C ASP A 39 72.283 5.286 -5.069 1.00 0.00 C ATOM 607 O ASP A 39 73.412 4.933 -4.729 1.00 0.00 O ATOM 608 CB ASP A 39 72.238 6.462 -7.268 1.00 0.00 C ATOM 609 CG ASP A 39 72.638 6.133 -8.703 1.00 0.00 C ATOM 610 OD1 ASP A 39 71.848 6.404 -9.594 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.729 5.620 -8.890 1.00 0.00 O ATOM 0 H ASP A 39 69.882 5.775 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 39 72.342 4.327 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.404 7.164 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.066 6.949 -6.754 1.00 0.00 H new ATOM 616 N GLN A 40 71.388 5.776 -4.213 1.00 0.00 N ATOM 617 CA GLN A 40 71.701 5.927 -2.793 1.00 0.00 C ATOM 618 C GLN A 40 70.930 4.910 -1.956 1.00 0.00 C ATOM 619 O GLN A 40 70.843 5.043 -0.735 1.00 0.00 O ATOM 620 CB GLN A 40 71.351 7.342 -2.329 1.00 0.00 C ATOM 621 CG GLN A 40 72.562 8.256 -2.526 1.00 0.00 C ATOM 622 CD GLN A 40 72.124 9.717 -2.494 1.00 0.00 C ATOM 623 OE1 GLN A 40 71.024 10.027 -2.037 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.927 10.638 -2.955 1.00 0.00 N ATOM 0 H GLN A 40 70.448 6.073 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 40 72.768 5.752 -2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.499 7.722 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.057 7.330 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.298 8.071 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 40 73.045 8.033 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.838 10.378 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 40 72.643 11.618 -2.937 1.00 0.00 H new ATOM 633 N GLN A 41 70.374 3.901 -2.619 1.00 0.00 N ATOM 634 CA GLN A 41 69.613 2.867 -1.929 1.00 0.00 C ATOM 635 C GLN A 41 70.155 1.486 -2.290 1.00 0.00 C ATOM 636 O GLN A 41 70.359 1.177 -3.464 1.00 0.00 O ATOM 637 CB GLN A 41 68.131 2.975 -2.315 1.00 0.00 C ATOM 638 CG GLN A 41 67.468 1.596 -2.281 1.00 0.00 C ATOM 639 CD GLN A 41 65.951 1.751 -2.279 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.436 2.830 -2.570 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.200 0.731 -1.964 1.00 0.00 N ATOM 0 H GLN A 41 70.436 3.778 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 41 69.712 3.007 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.618 3.649 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.039 3.405 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.782 1.010 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.788 1.050 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.629 -0.163 -1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.185 0.828 -1.959 1.00 0.00 H new ATOM 650 N ARG A 42 70.385 0.663 -1.272 1.00 0.00 N ATOM 651 CA ARG A 42 70.903 -0.683 -1.489 1.00 0.00 C ATOM 652 C ARG A 42 70.119 -1.697 -0.663 1.00 0.00 C ATOM 653 O ARG A 42 70.108 -1.636 0.567 1.00 0.00 O ATOM 654 CB ARG A 42 72.380 -0.742 -1.101 1.00 0.00 C ATOM 655 CG ARG A 42 73.207 -1.144 -2.323 1.00 0.00 C ATOM 656 CD ARG A 42 74.691 -1.125 -1.961 1.00 0.00 C ATOM 657 NE ARG A 42 75.400 -2.177 -2.681 1.00 0.00 N ATOM 658 CZ ARG A 42 76.727 -2.196 -2.741 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.336 -3.146 -3.396 1.00 0.00 N ATOM 660 NH2 ARG A 42 77.421 -1.264 -2.146 1.00 0.00 N ATOM 0 H ARG A 42 70.222 0.903 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 42 70.794 -0.928 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.709 0.228 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.528 -1.461 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.917 -2.139 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.014 -0.458 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 42 75.120 -0.154 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.812 -1.264 -0.887 1.00 0.00 H new ATOM 0 HE ARG A 42 74.867 -2.911 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.793 -3.873 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.355 -3.161 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.944 -0.521 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 42 78.440 -1.279 -2.192 1.00 0.00 H new ATOM 674 N LEU A 43 69.461 -2.628 -1.346 1.00 0.00 N ATOM 675 CA LEU A 43 68.675 -3.649 -0.664 1.00 0.00 C ATOM 676 C LEU A 43 69.511 -4.903 -0.432 1.00 0.00 C ATOM 677 O LEU A 43 69.970 -5.540 -1.381 1.00 0.00 O ATOM 678 CB LEU A 43 67.441 -4.004 -1.498 1.00 0.00 C ATOM 679 CG LEU A 43 66.186 -3.445 -0.824 1.00 0.00 C ATOM 680 CD1 LEU A 43 64.984 -3.626 -1.754 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.928 -4.193 0.488 1.00 0.00 C ATOM 0 H LEU A 43 69.456 -2.697 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 43 68.359 -3.252 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.539 -3.594 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.359 -5.086 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 43 66.332 -2.385 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.090 -3.228 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.163 -3.093 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.842 -4.686 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 43 65.034 -3.792 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 43 65.784 -5.253 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.782 -4.066 1.153 1.00 0.00 H new ATOM 693 N ILE A 44 69.704 -5.250 0.839 1.00 0.00 N ATOM 694 CA ILE A 44 70.486 -6.429 1.197 1.00 0.00 C ATOM 695 C ILE A 44 69.591 -7.478 1.849 1.00 0.00 C ATOM 696 O ILE A 44 68.681 -7.146 2.609 1.00 0.00 O ATOM 697 CB ILE A 44 71.614 -6.037 2.159 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.828 -5.561 1.356 1.00 0.00 C ATOM 699 CG2 ILE A 44 72.017 -7.244 3.011 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.438 -4.361 0.493 1.00 0.00 C ATOM 0 H ILE A 44 69.331 -4.733 1.635 1.00 0.00 H new ATOM 0 HA ILE A 44 70.920 -6.850 0.290 1.00 0.00 H new ATOM 0 HB ILE A 44 71.264 -5.236 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.638 -5.287 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 44 73.198 -6.369 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.819 -6.957 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.157 -7.586 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.362 -8.049 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 44 73.305 -4.026 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.642 -4.650 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.089 -3.551 1.133 1.00 0.00 H new ATOM 712 N PHE A 45 69.854 -8.744 1.546 1.00 0.00 N ATOM 713 CA PHE A 45 69.066 -9.834 2.108 1.00 0.00 C ATOM 714 C PHE A 45 69.745 -11.173 1.845 1.00 0.00 C ATOM 715 O PHE A 45 70.466 -11.330 0.861 1.00 0.00 O ATOM 716 CB PHE A 45 67.668 -9.837 1.490 1.00 0.00 C ATOM 717 CG PHE A 45 66.983 -11.148 1.794 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.716 -11.502 3.122 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.613 -12.008 0.753 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.081 -12.716 3.408 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.977 -13.222 1.040 1.00 0.00 C ATOM 722 CZ PHE A 45 65.711 -13.576 2.367 1.00 0.00 C ATOM 0 H PHE A 45 70.602 -9.040 0.918 1.00 0.00 H new ATOM 0 HA PHE A 45 68.986 -9.686 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.082 -9.008 1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.736 -9.692 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.000 -10.838 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.818 -11.735 -0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 45 65.876 -12.990 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 45 65.692 -13.885 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.220 -14.512 2.588 1.00 0.00 H new ATOM 732 N ALA A 46 69.513 -12.133 2.733 1.00 0.00 N ATOM 733 CA ALA A 46 70.114 -13.452 2.586 1.00 0.00 C ATOM 734 C ALA A 46 71.629 -13.331 2.467 1.00 0.00 C ATOM 735 O ALA A 46 72.146 -12.899 1.437 1.00 0.00 O ATOM 736 CB ALA A 46 69.555 -14.146 1.343 1.00 0.00 C ATOM 0 H ALA A 46 68.919 -12.024 3.555 1.00 0.00 H new ATOM 0 HA ALA A 46 69.873 -14.045 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 46 70.010 -15.131 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 68.475 -14.253 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 69.782 -13.549 0.460 1.00 0.00 H new ATOM 742 N GLY A 47 72.331 -13.709 3.532 1.00 0.00 N ATOM 743 CA GLY A 47 73.790 -13.638 3.546 1.00 0.00 C ATOM 744 C GLY A 47 74.374 -14.025 2.190 1.00 0.00 C ATOM 745 O GLY A 47 75.478 -13.611 1.839 1.00 0.00 O ATOM 0 H GLY A 47 71.916 -14.066 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.105 -12.627 3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.182 -14.302 4.317 1.00 0.00 H new ATOM 749 N LYS A 48 73.622 -14.816 1.432 1.00 0.00 N ATOM 750 CA LYS A 48 74.075 -15.249 0.114 1.00 0.00 C ATOM 751 C LYS A 48 75.467 -15.870 0.200 1.00 0.00 C ATOM 752 O LYS A 48 76.463 -15.163 0.343 1.00 0.00 O ATOM 753 CB LYS A 48 74.105 -14.057 -0.844 1.00 0.00 C ATOM 754 CG LYS A 48 73.376 -14.423 -2.137 1.00 0.00 C ATOM 755 CD LYS A 48 73.598 -13.322 -3.178 1.00 0.00 C ATOM 756 CE LYS A 48 73.086 -11.990 -2.629 1.00 0.00 C ATOM 757 NZ LYS A 48 74.158 -11.340 -1.822 1.00 0.00 N ATOM 0 H LYS A 48 72.704 -15.168 1.704 1.00 0.00 H new ATOM 0 HA LYS A 48 73.379 -16.000 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 48 73.632 -13.192 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 48 75.136 -13.778 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 48 73.743 -15.376 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 72.310 -14.546 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.658 -13.244 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 48 73.077 -13.571 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 48 72.787 -11.337 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 72.201 -12.154 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.851 -11.269 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.026 -11.910 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 74.345 -10.388 -2.196 1.00 0.00 H new ATOM 771 N GLN A 49 75.525 -17.195 0.111 1.00 0.00 N ATOM 772 CA GLN A 49 76.799 -17.899 0.178 1.00 0.00 C ATOM 773 C GLN A 49 77.276 -18.276 -1.221 1.00 0.00 C ATOM 774 O GLN A 49 78.184 -19.092 -1.378 1.00 0.00 O ATOM 775 CB GLN A 49 76.654 -19.162 1.029 1.00 0.00 C ATOM 776 CG GLN A 49 76.642 -18.782 2.509 1.00 0.00 C ATOM 777 CD GLN A 49 76.292 -19.999 3.359 1.00 0.00 C ATOM 778 OE1 GLN A 49 75.558 -19.881 4.342 1.00 0.00 O ATOM 779 NE2 GLN A 49 76.777 -21.168 3.040 1.00 0.00 N ATOM 0 H GLN A 49 74.711 -17.798 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 49 77.535 -17.238 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 49 75.733 -19.684 0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 49 77.477 -19.847 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 49 77.618 -18.393 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 49 75.917 -17.987 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 77.384 -21.263 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 49 76.549 -21.986 3.605 1.00 0.00 H new ATOM 788 N LEU A 50 76.654 -17.674 -2.233 1.00 0.00 N ATOM 789 CA LEU A 50 77.016 -17.945 -3.622 1.00 0.00 C ATOM 790 C LEU A 50 77.531 -16.676 -4.296 1.00 0.00 C ATOM 791 O LEU A 50 77.702 -15.645 -3.647 1.00 0.00 O ATOM 792 CB LEU A 50 75.807 -18.480 -4.399 1.00 0.00 C ATOM 793 CG LEU A 50 74.612 -18.671 -3.460 1.00 0.00 C ATOM 794 CD1 LEU A 50 73.401 -19.139 -4.269 1.00 0.00 C ATOM 795 CD2 LEU A 50 74.952 -19.726 -2.404 1.00 0.00 C ATOM 0 H LEU A 50 75.899 -16.998 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 50 77.804 -18.698 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 50 75.543 -17.786 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 76.061 -19.428 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 50 74.383 -17.725 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 72.549 -19.276 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 73.156 -18.391 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 50 73.634 -20.085 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 74.101 -19.861 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 75.181 -20.672 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 75.817 -19.398 -1.827 1.00 0.00 H new ATOM 807 N GLU A 51 77.775 -16.760 -5.599 1.00 0.00 N ATOM 808 CA GLU A 51 78.269 -15.612 -6.350 1.00 0.00 C ATOM 809 C GLU A 51 77.142 -14.622 -6.622 1.00 0.00 C ATOM 810 O GLU A 51 75.978 -15.006 -6.740 1.00 0.00 O ATOM 811 CB GLU A 51 78.873 -16.076 -7.675 1.00 0.00 C ATOM 812 CG GLU A 51 80.083 -16.970 -7.401 1.00 0.00 C ATOM 813 CD GLU A 51 80.613 -17.547 -8.709 1.00 0.00 C ATOM 814 OE1 GLU A 51 79.801 -17.940 -9.531 1.00 0.00 O ATOM 815 OE2 GLU A 51 81.821 -17.588 -8.871 1.00 0.00 O ATOM 0 H GLU A 51 77.640 -17.605 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 51 79.036 -15.116 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.128 -16.622 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.172 -15.214 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.865 -16.395 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.803 -17.778 -6.725 1.00 0.00 H new ATOM 822 N ASP A 52 77.498 -13.348 -6.721 1.00 0.00 N ATOM 823 CA ASP A 52 76.513 -12.303 -6.978 1.00 0.00 C ATOM 824 C ASP A 52 75.721 -12.618 -8.244 1.00 0.00 C ATOM 825 O ASP A 52 74.642 -12.066 -8.464 1.00 0.00 O ATOM 826 CB ASP A 52 77.214 -10.952 -7.134 1.00 0.00 C ATOM 827 CG ASP A 52 76.344 -9.845 -6.550 1.00 0.00 C ATOM 828 OD1 ASP A 52 76.902 -8.873 -6.067 1.00 0.00 O ATOM 829 OD2 ASP A 52 75.133 -9.983 -6.595 1.00 0.00 O ATOM 0 H ASP A 52 78.457 -13.013 -6.628 1.00 0.00 H new ATOM 0 HA ASP A 52 75.826 -12.259 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 52 78.179 -10.973 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 52 77.411 -10.754 -8.188 1.00 0.00 H new ATOM 834 N GLY A 53 76.262 -13.505 -9.071 1.00 0.00 N ATOM 835 CA GLY A 53 75.598 -13.884 -10.312 1.00 0.00 C ATOM 836 C GLY A 53 74.123 -14.187 -10.071 1.00 0.00 C ATOM 837 O GLY A 53 73.329 -14.243 -11.010 1.00 0.00 O ATOM 0 H GLY A 53 77.153 -13.973 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 53 75.693 -13.079 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 76.088 -14.759 -10.738 1.00 0.00 H new ATOM 841 N ARG A 54 73.762 -14.381 -8.806 1.00 0.00 N ATOM 842 CA ARG A 54 72.379 -14.677 -8.455 1.00 0.00 C ATOM 843 C ARG A 54 71.675 -13.424 -7.944 1.00 0.00 C ATOM 844 O ARG A 54 72.311 -12.517 -7.410 1.00 0.00 O ATOM 845 CB ARG A 54 72.334 -15.765 -7.379 1.00 0.00 C ATOM 846 CG ARG A 54 72.488 -17.137 -8.037 1.00 0.00 C ATOM 847 CD ARG A 54 71.105 -17.711 -8.349 1.00 0.00 C ATOM 848 NE ARG A 54 70.540 -18.343 -7.161 1.00 0.00 N ATOM 849 CZ ARG A 54 70.988 -19.517 -6.729 1.00 0.00 C ATOM 850 NH1 ARG A 54 70.469 -20.059 -5.661 1.00 0.00 N ATOM 851 NH2 ARG A 54 71.945 -20.128 -7.372 1.00 0.00 N ATOM 0 H ARG A 54 74.403 -14.339 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 54 71.865 -15.029 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 73.131 -15.606 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 54 71.391 -15.714 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 54 73.072 -17.049 -8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 73.032 -17.811 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 54 70.444 -16.917 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 54 71.180 -18.440 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 54 69.789 -17.876 -6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 69.720 -19.581 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 54 70.812 -20.960 -5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 54 72.350 -19.704 -8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 54 72.288 -21.029 -7.040 1.00 0.00 H new ATOM 865 N THR A 55 70.355 -13.383 -8.112 1.00 0.00 N ATOM 866 CA THR A 55 69.570 -12.237 -7.665 1.00 0.00 C ATOM 867 C THR A 55 68.803 -12.577 -6.392 1.00 0.00 C ATOM 868 O THR A 55 68.502 -13.741 -6.128 1.00 0.00 O ATOM 869 CB THR A 55 68.584 -11.822 -8.760 1.00 0.00 C ATOM 870 OG1 THR A 55 67.445 -12.669 -8.715 1.00 0.00 O ATOM 871 CG2 THR A 55 69.258 -11.942 -10.128 1.00 0.00 C ATOM 0 H THR A 55 69.810 -14.125 -8.551 1.00 0.00 H new ATOM 0 HA THR A 55 70.251 -11.412 -7.456 1.00 0.00 H new ATOM 0 HB THR A 55 68.275 -10.789 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 55 66.812 -12.403 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 55 68.555 -11.646 -10.907 1.00 0.00 H new ATOM 0 HG22 THR A 55 70.132 -11.291 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 55 69.568 -12.974 -10.292 1.00 0.00 H new ATOM 879 N LEU A 56 68.493 -11.553 -5.603 1.00 0.00 N ATOM 880 CA LEU A 56 67.768 -11.753 -4.359 1.00 0.00 C ATOM 881 C LEU A 56 66.430 -12.439 -4.629 1.00 0.00 C ATOM 882 O LEU A 56 65.965 -13.250 -3.829 1.00 0.00 O ATOM 883 CB LEU A 56 67.514 -10.410 -3.663 1.00 0.00 C ATOM 884 CG LEU A 56 68.792 -9.547 -3.652 1.00 0.00 C ATOM 885 CD1 LEU A 56 70.006 -10.405 -3.286 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.034 -8.879 -5.018 1.00 0.00 C ATOM 0 H LEU A 56 68.732 -10.582 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 56 68.376 -12.385 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.714 -9.876 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.178 -10.583 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 56 68.654 -8.765 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.902 -9.784 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.860 -10.839 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 56 70.121 -11.204 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 56 69.943 -8.279 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.143 -9.647 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 56 68.188 -8.238 -5.265 1.00 0.00 H new ATOM 898 N SER A 57 65.819 -12.106 -5.761 1.00 0.00 N ATOM 899 CA SER A 57 64.535 -12.696 -6.126 1.00 0.00 C ATOM 900 C SER A 57 64.680 -14.198 -6.349 1.00 0.00 C ATOM 901 O SER A 57 63.762 -14.968 -6.067 1.00 0.00 O ATOM 902 CB SER A 57 64.003 -12.039 -7.399 1.00 0.00 C ATOM 903 OG SER A 57 63.953 -13.005 -8.441 1.00 0.00 O ATOM 0 H SER A 57 66.188 -11.437 -6.437 1.00 0.00 H new ATOM 0 HA SER A 57 63.833 -12.527 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.010 -11.627 -7.221 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.646 -11.208 -7.689 1.00 0.00 H new ATOM 0 HG SER A 57 63.610 -12.587 -9.258 1.00 0.00 H new ATOM 909 N ASP A 58 65.837 -14.606 -6.856 1.00 0.00 N ATOM 910 CA ASP A 58 66.092 -16.019 -7.113 1.00 0.00 C ATOM 911 C ASP A 58 66.010 -16.822 -5.818 1.00 0.00 C ATOM 912 O ASP A 58 65.961 -18.052 -5.841 1.00 0.00 O ATOM 913 CB ASP A 58 67.475 -16.197 -7.741 1.00 0.00 C ATOM 914 CG ASP A 58 67.397 -17.186 -8.898 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.436 -16.743 -10.034 1.00 0.00 O ATOM 916 OD2 ASP A 58 67.295 -18.373 -8.631 1.00 0.00 O ATOM 0 H ASP A 58 66.609 -13.984 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 58 65.332 -16.386 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.849 -15.237 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.181 -16.556 -6.992 1.00 0.00 H new ATOM 921 N TYR A 59 65.994 -16.116 -4.691 1.00 0.00 N ATOM 922 CA TYR A 59 65.916 -16.773 -3.392 1.00 0.00 C ATOM 923 C TYR A 59 64.462 -17.044 -3.020 1.00 0.00 C ATOM 924 O TYR A 59 64.173 -17.602 -1.963 1.00 0.00 O ATOM 925 CB TYR A 59 66.563 -15.893 -2.321 1.00 0.00 C ATOM 926 CG TYR A 59 67.389 -16.752 -1.394 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.667 -17.173 -1.781 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.877 -17.127 -0.146 1.00 0.00 C ATOM 929 CE1 TYR A 59 69.434 -17.968 -0.922 1.00 0.00 C ATOM 930 CE2 TYR A 59 67.644 -17.923 0.714 1.00 0.00 C ATOM 931 CZ TYR A 59 68.921 -18.343 0.326 1.00 0.00 C ATOM 932 OH TYR A 59 69.677 -19.127 1.175 1.00 0.00 O ATOM 0 H TYR A 59 66.034 -15.098 -4.651 1.00 0.00 H new ATOM 0 HA TYR A 59 66.449 -17.722 -3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.192 -15.136 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.795 -15.365 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.061 -16.884 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.891 -16.803 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 59 70.420 -18.292 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 59 67.250 -18.213 1.677 1.00 0.00 H new ATOM 0 HH TYR A 59 69.175 -19.295 1.999 1.00 0.00 H new ATOM 942 N ASN A 60 63.553 -16.645 -3.903 1.00 0.00 N ATOM 943 CA ASN A 60 62.129 -16.848 -3.665 1.00 0.00 C ATOM 944 C ASN A 60 61.710 -16.220 -2.339 1.00 0.00 C ATOM 945 O ASN A 60 61.071 -16.868 -1.510 1.00 0.00 O ATOM 946 CB ASN A 60 61.810 -18.344 -3.648 1.00 0.00 C ATOM 947 CG ASN A 60 62.724 -19.082 -4.620 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.945 -18.619 -5.738 1.00 0.00 O ATOM 949 ND2 ASN A 60 63.272 -20.211 -4.257 1.00 0.00 N ATOM 0 H ASN A 60 63.775 -16.182 -4.784 1.00 0.00 H new ATOM 0 HA ASN A 60 61.574 -16.368 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.940 -18.741 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.767 -18.505 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.885 -20.711 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 60 63.087 -20.593 -3.329 1.00 0.00 H new ATOM 956 N ILE A 61 62.073 -14.956 -2.147 1.00 0.00 N ATOM 957 CA ILE A 61 61.728 -14.250 -0.918 1.00 0.00 C ATOM 958 C ILE A 61 60.301 -14.581 -0.492 1.00 0.00 C ATOM 959 O ILE A 61 59.377 -14.549 -1.306 1.00 0.00 O ATOM 960 CB ILE A 61 61.865 -12.741 -1.127 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.333 -12.341 -0.966 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.019 -11.999 -0.090 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.529 -10.912 -1.473 1.00 0.00 C ATOM 0 H ILE A 61 62.602 -14.403 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 61 62.412 -14.571 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 61 61.520 -12.480 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.627 -12.411 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.971 -13.027 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.118 -10.924 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.973 -12.286 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.362 -12.258 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.575 -10.626 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.251 -10.858 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.902 -10.232 -0.897 1.00 0.00 H new ATOM 975 N GLN A 62 60.129 -14.899 0.787 1.00 0.00 N ATOM 976 CA GLN A 62 58.810 -15.236 1.309 1.00 0.00 C ATOM 977 C GLN A 62 58.166 -14.020 1.966 1.00 0.00 C ATOM 978 O GLN A 62 58.819 -12.999 2.178 1.00 0.00 O ATOM 979 CB GLN A 62 58.926 -16.369 2.329 1.00 0.00 C ATOM 980 CG GLN A 62 59.387 -17.646 1.625 1.00 0.00 C ATOM 981 CD GLN A 62 60.325 -18.434 2.534 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.885 -19.328 3.257 1.00 0.00 O ATOM 983 NE2 GLN A 62 61.600 -18.154 2.540 1.00 0.00 N ATOM 0 H GLN A 62 60.880 -14.930 1.476 1.00 0.00 H new ATOM 0 HA GLN A 62 58.183 -15.559 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.634 -16.097 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.964 -16.536 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 62 58.524 -18.258 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 62 59.896 -17.395 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 61.962 -17.413 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 62 62.234 -18.676 3.145 1.00 0.00 H new ATOM 992 N LYS A 63 56.882 -14.137 2.286 1.00 0.00 N ATOM 993 CA LYS A 63 56.159 -13.042 2.919 1.00 0.00 C ATOM 994 C LYS A 63 56.618 -12.859 4.362 1.00 0.00 C ATOM 995 O LYS A 63 57.341 -13.694 4.905 1.00 0.00 O ATOM 996 CB LYS A 63 54.655 -13.323 2.891 1.00 0.00 C ATOM 997 CG LYS A 63 54.352 -14.563 3.736 1.00 0.00 C ATOM 998 CD LYS A 63 52.906 -15.000 3.498 1.00 0.00 C ATOM 999 CE LYS A 63 52.649 -16.328 4.215 1.00 0.00 C ATOM 1000 NZ LYS A 63 51.475 -16.185 5.121 1.00 0.00 N ATOM 0 H LYS A 63 56.324 -14.974 2.118 1.00 0.00 H new ATOM 0 HA LYS A 63 56.367 -12.127 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.106 -12.464 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.322 -13.479 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.035 -15.371 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.508 -14.344 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.219 -14.237 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 63 52.719 -15.109 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 63 52.465 -17.117 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.529 -16.621 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 51.300 -17.087 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.668 -15.443 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 50.636 -15.924 4.564 1.00 0.00 H new ATOM 1014 N GLU A 64 56.191 -11.761 4.978 1.00 0.00 N ATOM 1015 CA GLU A 64 56.564 -11.479 6.359 1.00 0.00 C ATOM 1016 C GLU A 64 58.078 -11.542 6.532 1.00 0.00 C ATOM 1017 O GLU A 64 58.577 -11.776 7.632 1.00 0.00 O ATOM 1018 CB GLU A 64 55.899 -12.488 7.297 1.00 0.00 C ATOM 1019 CG GLU A 64 54.378 -12.358 7.194 1.00 0.00 C ATOM 1020 CD GLU A 64 53.786 -12.064 8.569 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.580 -10.899 8.866 1.00 0.00 O ATOM 1022 OE2 GLU A 64 53.548 -13.008 9.305 1.00 0.00 O ATOM 0 H GLU A 64 55.591 -11.057 4.547 1.00 0.00 H new ATOM 0 HA GLU A 64 56.224 -10.473 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.206 -13.501 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.221 -12.312 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.119 -11.559 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.952 -13.278 6.795 1.00 0.00 H new ATOM 1029 N SER A 65 58.803 -11.332 5.438 1.00 0.00 N ATOM 1030 CA SER A 65 60.260 -11.369 5.482 1.00 0.00 C ATOM 1031 C SER A 65 60.823 -9.982 5.775 1.00 0.00 C ATOM 1032 O SER A 65 60.315 -8.977 5.275 1.00 0.00 O ATOM 1033 CB SER A 65 60.809 -11.871 4.147 1.00 0.00 C ATOM 1034 OG SER A 65 60.698 -13.288 4.096 1.00 0.00 O ATOM 0 H SER A 65 58.410 -11.136 4.518 1.00 0.00 H new ATOM 0 HA SER A 65 60.563 -12.048 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.257 -11.422 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.851 -11.572 4.034 1.00 0.00 H new ATOM 0 HG SER A 65 60.137 -13.545 3.335 1.00 0.00 H new ATOM 1040 N THR A 66 61.874 -9.935 6.588 1.00 0.00 N ATOM 1041 CA THR A 66 62.498 -8.665 6.940 1.00 0.00 C ATOM 1042 C THR A 66 63.698 -8.389 6.041 1.00 0.00 C ATOM 1043 O THR A 66 64.694 -9.113 6.077 1.00 0.00 O ATOM 1044 CB THR A 66 62.951 -8.693 8.403 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.996 -9.407 9.177 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.073 -7.264 8.930 1.00 0.00 C ATOM 0 H THR A 66 62.308 -10.755 7.012 1.00 0.00 H new ATOM 0 HA THR A 66 61.764 -7.871 6.801 1.00 0.00 H new ATOM 0 HB THR A 66 63.921 -9.186 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.284 -9.428 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.395 -7.286 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.805 -6.718 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.106 -6.767 8.860 1.00 0.00 H new ATOM 1054 N LEU A 67 63.597 -7.338 5.233 1.00 0.00 N ATOM 1055 CA LEU A 67 64.679 -6.972 4.326 1.00 0.00 C ATOM 1056 C LEU A 67 65.558 -5.893 4.951 1.00 0.00 C ATOM 1057 O LEU A 67 65.076 -5.041 5.697 1.00 0.00 O ATOM 1058 CB LEU A 67 64.104 -6.466 3.002 1.00 0.00 C ATOM 1059 CG LEU A 67 63.239 -7.557 2.371 1.00 0.00 C ATOM 1060 CD1 LEU A 67 61.869 -6.980 2.011 1.00 0.00 C ATOM 1061 CD2 LEU A 67 63.920 -8.078 1.103 1.00 0.00 C ATOM 0 H LEU A 67 62.781 -6.728 5.188 1.00 0.00 H new ATOM 0 HA LEU A 67 65.288 -7.857 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.509 -5.568 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.912 -6.190 2.324 1.00 0.00 H new ATOM 0 HG LEU A 67 63.114 -8.375 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 61.253 -7.759 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.382 -6.608 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 67 61.994 -6.161 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 63.304 -8.856 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 64.046 -7.259 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 67 64.896 -8.490 1.358 1.00 0.00 H new ATOM 1073 N HIS A 68 66.851 -5.937 4.643 1.00 0.00 N ATOM 1074 CA HIS A 68 67.787 -4.958 5.183 1.00 0.00 C ATOM 1075 C HIS A 68 68.037 -3.843 4.173 1.00 0.00 C ATOM 1076 O HIS A 68 68.590 -4.075 3.099 1.00 0.00 O ATOM 1077 CB HIS A 68 69.112 -5.640 5.529 1.00 0.00 C ATOM 1078 CG HIS A 68 68.862 -6.749 6.513 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.843 -7.675 6.341 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.488 -7.096 7.686 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.886 -8.525 7.384 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.870 -8.217 8.234 1.00 0.00 N ATOM 0 H HIS A 68 67.271 -6.634 4.028 1.00 0.00 H new ATOM 0 HA HIS A 68 67.353 -4.526 6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.575 -6.038 4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.808 -4.915 5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 68 70.332 -6.578 8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.208 -9.355 7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 68 69.116 -8.699 9.098 1.00 0.00 H new ATOM 1090 N LEU A 69 67.619 -2.632 4.529 1.00 0.00 N ATOM 1091 CA LEU A 69 67.793 -1.482 3.649 1.00 0.00 C ATOM 1092 C LEU A 69 69.023 -0.675 4.056 1.00 0.00 C ATOM 1093 O LEU A 69 69.101 -0.165 5.174 1.00 0.00 O ATOM 1094 CB LEU A 69 66.550 -0.590 3.716 1.00 0.00 C ATOM 1095 CG LEU A 69 66.596 0.462 2.602 1.00 0.00 C ATOM 1096 CD1 LEU A 69 66.473 -0.206 1.228 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.438 1.446 2.791 1.00 0.00 C ATOM 0 H LEU A 69 67.160 -2.422 5.415 1.00 0.00 H new ATOM 0 HA LEU A 69 67.933 -1.842 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.651 -1.198 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.497 -0.100 4.688 1.00 0.00 H new ATOM 0 HG LEU A 69 67.549 0.989 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.507 0.555 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 67.297 -0.906 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.527 -0.744 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.466 2.197 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.492 0.907 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.531 1.936 3.760 1.00 0.00 H new ATOM 1109 N VAL A 70 69.982 -0.564 3.139 1.00 0.00 N ATOM 1110 CA VAL A 70 71.206 0.182 3.409 1.00 0.00 C ATOM 1111 C VAL A 70 71.195 1.513 2.662 1.00 0.00 C ATOM 1112 O VAL A 70 70.654 1.611 1.560 1.00 0.00 O ATOM 1113 CB VAL A 70 72.425 -0.632 2.979 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.679 -0.067 3.649 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.239 -2.092 3.401 1.00 0.00 C ATOM 0 H VAL A 70 69.935 -0.979 2.208 1.00 0.00 H new ATOM 0 HA VAL A 70 71.260 0.375 4.480 1.00 0.00 H new ATOM 0 HB VAL A 70 72.534 -0.576 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.549 -0.648 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.814 0.973 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.569 -0.123 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.109 -2.673 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 70 72.130 -2.147 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.346 -2.497 2.925 1.00 0.00 H new ATOM 1125 N LEU A 71 71.794 2.531 3.274 1.00 0.00 N ATOM 1126 CA LEU A 71 71.853 3.857 2.666 1.00 0.00 C ATOM 1127 C LEU A 71 73.302 4.310 2.507 1.00 0.00 C ATOM 1128 O LEU A 71 73.982 4.607 3.489 1.00 0.00 O ATOM 1129 CB LEU A 71 71.097 4.862 3.539 1.00 0.00 C ATOM 1130 CG LEU A 71 69.662 5.010 3.026 1.00 0.00 C ATOM 1131 CD1 LEU A 71 68.829 5.769 4.061 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.653 5.783 1.702 1.00 0.00 C ATOM 0 H LEU A 71 72.244 2.464 4.187 1.00 0.00 H new ATOM 0 HA LEU A 71 71.390 3.807 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.090 4.526 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.602 5.828 3.520 1.00 0.00 H new ATOM 0 HG LEU A 71 69.238 4.019 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 71 67.807 5.876 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 71 68.825 5.216 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.261 6.756 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.628 5.883 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.082 6.773 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.243 5.243 0.962 1.00 0.00 H new ATOM 1144 N ARG A 72 73.768 4.358 1.263 1.00 0.00 N ATOM 1145 CA ARG A 72 75.137 4.777 0.985 1.00 0.00 C ATOM 1146 C ARG A 72 75.322 6.255 1.309 1.00 0.00 C ATOM 1147 O ARG A 72 74.932 7.125 0.529 1.00 0.00 O ATOM 1148 CB ARG A 72 75.466 4.528 -0.488 1.00 0.00 C ATOM 1149 CG ARG A 72 76.526 3.432 -0.600 1.00 0.00 C ATOM 1150 CD ARG A 72 75.991 2.135 0.012 1.00 0.00 C ATOM 1151 NE ARG A 72 76.751 1.794 1.208 1.00 0.00 N ATOM 1152 CZ ARG A 72 76.696 0.574 1.733 1.00 0.00 C ATOM 1153 NH1 ARG A 72 77.391 0.291 2.802 1.00 0.00 N ATOM 1154 NH2 ARG A 72 75.947 -0.341 1.181 1.00 0.00 N ATOM 0 H ARG A 72 73.222 4.114 0.437 1.00 0.00 H new ATOM 0 HA ARG A 72 75.812 4.195 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.566 4.233 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 72 75.828 5.446 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.788 3.271 -1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.437 3.739 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 72 74.936 2.250 0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 72 76.060 1.326 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 72 77.335 2.504 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 72 77.976 1.006 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 72 77.349 -0.645 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 72 75.404 -0.120 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 72 75.905 -1.277 1.584 1.00 0.00 H new ATOM 1168 N LEU A 73 75.922 6.531 2.463 1.00 0.00 N ATOM 1169 CA LEU A 73 76.155 7.910 2.880 1.00 0.00 C ATOM 1170 C LEU A 73 77.267 7.965 3.924 1.00 0.00 C ATOM 1171 O LEU A 73 77.091 7.520 5.057 1.00 0.00 O ATOM 1172 CB LEU A 73 74.866 8.503 3.466 1.00 0.00 C ATOM 1173 CG LEU A 73 74.836 10.028 3.274 1.00 0.00 C ATOM 1174 CD1 LEU A 73 76.114 10.648 3.845 1.00 0.00 C ATOM 1175 CD2 LEU A 73 74.722 10.376 1.784 1.00 0.00 C ATOM 0 H LEU A 73 76.253 5.825 3.121 1.00 0.00 H new ATOM 0 HA LEU A 73 76.457 8.493 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 73.999 8.053 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 73 74.799 8.263 4.527 1.00 0.00 H new ATOM 0 HG LEU A 73 73.969 10.428 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 73 76.088 11.729 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 76.185 10.420 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 73 76.981 10.237 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 73 74.702 11.459 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 73 75.579 9.967 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 73 73.804 9.949 1.380 1.00 0.00 H new ATOM 1187 N ARG A 74 78.412 8.516 3.532 1.00 0.00 N ATOM 1188 CA ARG A 74 79.546 8.624 4.442 1.00 0.00 C ATOM 1189 C ARG A 74 79.637 10.034 5.020 1.00 0.00 C ATOM 1190 O ARG A 74 79.326 11.014 4.344 1.00 0.00 O ATOM 1191 CB ARG A 74 80.843 8.290 3.702 1.00 0.00 C ATOM 1192 CG ARG A 74 80.751 6.876 3.125 1.00 0.00 C ATOM 1193 CD ARG A 74 81.672 5.943 3.913 1.00 0.00 C ATOM 1194 NE ARG A 74 83.069 6.247 3.621 1.00 0.00 N ATOM 1195 CZ ARG A 74 84.052 5.737 4.356 1.00 0.00 C ATOM 1196 NH1 ARG A 74 85.293 6.024 4.074 1.00 0.00 N ATOM 1197 NH2 ARG A 74 83.774 4.949 5.358 1.00 0.00 N ATOM 0 H ARG A 74 78.578 8.892 2.598 1.00 0.00 H new ATOM 0 HA ARG A 74 79.401 7.917 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 74 81.014 9.010 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 74 81.691 8.362 4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.723 6.517 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.035 6.882 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.484 6.052 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.457 4.906 3.656 1.00 0.00 H new ATOM 0 HE ARG A 74 83.295 6.862 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 74 85.509 6.640 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 74 86.048 5.633 4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 74 82.803 4.725 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 74 84.527 4.557 5.923 1.00 0.00 H new ATOM 1211 N GLY A 75 80.064 10.125 6.275 1.00 0.00 N ATOM 1212 CA GLY A 75 80.193 11.419 6.935 1.00 0.00 C ATOM 1213 C GLY A 75 78.830 11.944 7.376 1.00 0.00 C ATOM 1214 O GLY A 75 78.581 13.148 7.351 1.00 0.00 O ATOM 0 H GLY A 75 80.325 9.325 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 75 80.849 11.326 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.660 12.133 6.256 1.00 0.00 H new ATOM 1218 N GLY A 76 77.952 11.029 7.780 1.00 0.00 N ATOM 1219 CA GLY A 76 76.618 11.412 8.224 1.00 0.00 C ATOM 1220 C GLY A 76 76.051 10.381 9.194 1.00 0.00 C ATOM 1221 O GLY A 76 76.831 9.797 9.929 1.00 0.00 O ATOM 1222 OXT GLY A 76 74.846 10.190 9.188 1.00 0.00 O ATOM 0 H GLY A 76 78.139 10.027 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 76 76.657 12.388 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 76 75.957 11.509 7.362 1.00 0.00 H new TER 1226 GLY A 76