USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 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: X 10 TYR OH : rot -154:sc= -0.163! USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.492! C(o=-0.66!,f=-7.7!) USER MOD Single : X 4 LYS NZ :NH3+ -151:sc= 0.913 (180deg=-1.29!) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 124:sc= 0.532 USER MOD Single : X 17 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.16) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 140:sc= 1.27 (180deg=1.12) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : X 30 THR OG1 : rot 164:sc= 0.728 USER MOD Single : X 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0783) USER MOD Single : X 45 THR OG1 : rot -97:sc= 0.574 USER MOD Single : X 47 HIS : no HD1:sc= -3.11 X(o=-3.1,f=-2.9!) USER MOD Single : X 51 THR OG1 : rot 91:sc= 0.0778 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : X 77 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.09) USER MOD Single : X 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 86 ASN : amide:sc= -4.17! C(o=-4.2!,f=-6.7!) USER MOD Single : X 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00717) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= 0.343 K(o=0.34,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.383 2.971 8.469 1.00 0.00 N ATOM 2 CA GLU X 2 60.111 4.340 8.035 1.00 0.00 C ATOM 3 C GLU X 2 61.228 4.783 7.137 1.00 0.00 C ATOM 4 O GLU X 2 62.315 4.206 7.176 1.00 0.00 O ATOM 5 CB GLU X 2 60.090 5.292 9.213 1.00 0.00 C ATOM 6 CG GLU X 2 59.148 4.937 10.321 1.00 0.00 C ATOM 7 CD GLU X 2 59.245 5.931 11.429 1.00 0.00 C ATOM 8 OE1 GLU X 2 60.323 6.017 12.056 1.00 0.00 O ATOM 9 OE2 GLU X 2 58.291 6.687 11.654 1.00 0.00 O ATOM 0 HA GLU X 2 59.144 4.353 7.533 1.00 0.00 H new ATOM 0 HB2 GLU X 2 61.098 5.354 9.624 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.833 6.286 8.848 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.127 4.905 9.942 1.00 0.00 H new ATOM 0 HG3 GLU X 2 59.379 3.941 10.697 1.00 0.00 H new ATOM 16 N LEU X 3 60.981 5.796 6.357 1.00 0.00 N ATOM 17 CA LEU X 3 61.992 6.358 5.517 1.00 0.00 C ATOM 18 C LEU X 3 62.593 7.525 6.236 1.00 0.00 C ATOM 19 O LEU X 3 61.868 8.423 6.702 1.00 0.00 O ATOM 20 CB LEU X 3 61.384 6.840 4.200 1.00 0.00 C ATOM 21 CG LEU X 3 60.704 5.778 3.361 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.150 6.376 2.070 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.671 4.669 3.059 1.00 0.00 C ATOM 0 H LEU X 3 60.072 6.254 6.287 1.00 0.00 H new ATOM 0 HA LEU X 3 62.747 5.604 5.295 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.657 7.622 4.422 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.173 7.298 3.603 1.00 0.00 H new ATOM 0 HG LEU X 3 59.866 5.371 3.927 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.667 5.594 1.485 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.422 7.151 2.311 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.965 6.811 1.491 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.176 3.909 2.455 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.524 5.069 2.510 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.016 4.223 3.992 1.00 0.00 H new ATOM 35 N LYS X 4 63.871 7.533 6.350 1.00 0.00 N ATOM 36 CA LYS X 4 64.545 8.607 7.003 1.00 0.00 C ATOM 37 C LYS X 4 65.166 9.456 5.929 1.00 0.00 C ATOM 38 O LYS X 4 65.667 8.927 4.953 1.00 0.00 O ATOM 39 CB LYS X 4 65.660 8.112 7.907 1.00 0.00 C ATOM 40 CG LYS X 4 65.432 6.815 8.691 1.00 0.00 C ATOM 41 CD LYS X 4 64.124 6.726 9.425 1.00 0.00 C ATOM 42 CE LYS X 4 64.290 5.758 10.593 1.00 0.00 C ATOM 43 NZ LYS X 4 63.024 5.318 11.233 1.00 0.00 N ATOM 0 H LYS X 4 64.484 6.798 5.995 1.00 0.00 H new ATOM 0 HA LYS X 4 63.828 9.153 7.616 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.552 7.979 7.294 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.882 8.901 8.625 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.498 5.976 7.999 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.242 6.699 9.411 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.825 7.710 9.788 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.336 6.380 8.755 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.826 4.877 10.241 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.916 6.230 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.199 5.101 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.317 6.077 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.669 4.467 10.751 1.00 0.00 H new ATOM 57 N ASN X 5 65.166 10.746 6.098 1.00 0.00 N ATOM 58 CA ASN X 5 65.701 11.612 5.055 1.00 0.00 C ATOM 59 C ASN X 5 67.222 11.587 5.014 1.00 0.00 C ATOM 60 O ASN X 5 67.827 12.000 4.016 1.00 0.00 O ATOM 61 CB ASN X 5 65.162 13.043 5.148 1.00 0.00 C ATOM 62 CG ASN X 5 63.644 13.095 5.045 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.943 13.000 6.046 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.129 13.242 3.854 1.00 0.00 N ATOM 0 H ASN X 5 64.812 11.227 6.925 1.00 0.00 H new ATOM 0 HA ASN X 5 65.347 11.204 4.109 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.475 13.487 6.093 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.599 13.646 4.352 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.116 13.281 3.737 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.739 13.318 3.040 1.00 0.00 H new ATOM 71 N SER X 6 67.847 11.090 6.072 1.00 0.00 N ATOM 72 CA SER X 6 69.280 10.944 6.084 1.00 0.00 C ATOM 73 C SER X 6 69.683 9.557 6.574 1.00 0.00 C ATOM 74 O SER X 6 68.888 8.862 7.228 1.00 0.00 O ATOM 75 CB SER X 6 69.957 12.043 6.907 1.00 0.00 C ATOM 76 OG SER X 6 69.545 12.017 8.265 1.00 0.00 O ATOM 0 H SER X 6 67.379 10.785 6.926 1.00 0.00 H new ATOM 0 HA SER X 6 69.628 11.053 5.057 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.039 11.922 6.854 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.723 13.016 6.475 1.00 0.00 H new ATOM 0 HG SER X 6 69.999 12.731 8.758 1.00 0.00 H new ATOM 82 N ILE X 7 70.927 9.186 6.295 1.00 0.00 N ATOM 83 CA ILE X 7 71.482 7.875 6.642 1.00 0.00 C ATOM 84 C ILE X 7 71.645 7.768 8.176 1.00 0.00 C ATOM 85 O ILE X 7 71.698 6.682 8.744 1.00 0.00 O ATOM 86 CB ILE X 7 72.886 7.706 5.952 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.346 6.250 5.902 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.957 8.581 6.591 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.582 5.434 4.903 1.00 0.00 C ATOM 0 H ILE X 7 71.591 9.793 5.815 1.00 0.00 H new ATOM 0 HA ILE X 7 70.807 7.092 6.297 1.00 0.00 H new ATOM 0 HB ILE X 7 72.747 8.044 4.925 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.407 6.217 5.656 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.234 5.804 6.890 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.906 8.427 6.078 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.667 9.629 6.510 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.065 8.314 7.642 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.952 4.409 4.912 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.523 5.440 5.162 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.715 5.859 3.908 1.00 0.00 H new ATOM 101 N SER X 8 71.628 8.917 8.822 1.00 0.00 N ATOM 102 CA SER X 8 71.918 9.040 10.222 1.00 0.00 C ATOM 103 C SER X 8 70.770 8.562 11.094 1.00 0.00 C ATOM 104 O SER X 8 70.966 8.227 12.263 1.00 0.00 O ATOM 105 CB SER X 8 72.270 10.493 10.515 1.00 0.00 C ATOM 106 OG SER X 8 73.277 10.936 9.617 1.00 0.00 O ATOM 0 H SER X 8 71.407 9.805 8.372 1.00 0.00 H new ATOM 0 HA SER X 8 72.763 8.396 10.465 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.383 11.118 10.417 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.618 10.592 11.543 1.00 0.00 H new ATOM 0 HG SER X 8 73.498 11.871 9.809 1.00 0.00 H new ATOM 112 N ASP X 9 69.584 8.491 10.536 1.00 0.00 N ATOM 113 CA ASP X 9 68.452 8.052 11.322 1.00 0.00 C ATOM 114 C ASP X 9 68.146 6.614 10.986 1.00 0.00 C ATOM 115 O ASP X 9 67.215 6.010 11.506 1.00 0.00 O ATOM 116 CB ASP X 9 67.230 8.900 11.047 1.00 0.00 C ATOM 117 CG ASP X 9 66.207 8.809 12.147 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.563 9.054 13.324 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.034 8.531 11.877 1.00 0.00 O ATOM 0 H ASP X 9 69.379 8.725 9.565 1.00 0.00 H new ATOM 0 HA ASP X 9 68.706 8.151 12.377 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.533 9.939 10.922 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.777 8.585 10.107 1.00 0.00 H new ATOM 124 N TYR X 10 68.982 6.042 10.174 1.00 0.00 N ATOM 125 CA TYR X 10 68.749 4.719 9.692 1.00 0.00 C ATOM 126 C TYR X 10 69.457 3.748 10.527 1.00 0.00 C ATOM 127 O TYR X 10 70.673 3.781 10.629 1.00 0.00 O ATOM 128 CB TYR X 10 69.129 4.523 8.208 1.00 0.00 C ATOM 129 CG TYR X 10 67.969 4.676 7.248 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.962 3.715 7.206 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.871 5.759 6.388 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.891 3.834 6.345 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.796 5.876 5.518 1.00 0.00 C ATOM 134 CZ TYR X 10 65.816 4.907 5.509 1.00 0.00 C ATOM 135 OH TYR X 10 64.733 5.037 4.689 1.00 0.00 O ATOM 0 H TYR X 10 69.838 6.477 9.830 1.00 0.00 H new ATOM 0 HA TYR X 10 67.673 4.555 9.755 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.903 5.244 7.944 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.562 3.530 8.083 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.021 2.859 7.861 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.638 6.519 6.395 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.117 3.081 6.334 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.728 6.723 4.851 1.00 0.00 H new ATOM 0 HH TYR X 10 64.980 5.565 3.901 1.00 0.00 H new ATOM 145 N THR X 11 68.711 2.936 11.190 1.00 0.00 N ATOM 146 CA THR X 11 69.280 1.878 11.913 1.00 0.00 C ATOM 147 C THR X 11 69.557 0.804 10.899 1.00 0.00 C ATOM 148 O THR X 11 69.001 0.853 9.777 1.00 0.00 O ATOM 149 CB THR X 11 68.316 1.355 13.005 1.00 0.00 C ATOM 150 OG1 THR X 11 67.139 0.797 12.417 1.00 0.00 O ATOM 151 CG2 THR X 11 67.900 2.474 13.927 1.00 0.00 C ATOM 0 H THR X 11 67.694 2.994 11.240 1.00 0.00 H new ATOM 0 HA THR X 11 70.184 2.197 12.432 1.00 0.00 H new ATOM 0 HB THR X 11 68.847 0.587 13.568 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.027 -0.127 12.723 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.222 2.086 14.688 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.782 2.896 14.408 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.394 3.250 13.352 1.00 0.00 H new ATOM 159 N GLU X 12 70.387 -0.126 11.233 1.00 0.00 N ATOM 160 CA GLU X 12 70.702 -1.196 10.328 1.00 0.00 C ATOM 161 C GLU X 12 69.434 -1.953 9.881 1.00 0.00 C ATOM 162 O GLU X 12 69.234 -2.159 8.696 1.00 0.00 O ATOM 163 CB GLU X 12 71.771 -2.101 10.922 1.00 0.00 C ATOM 164 CG GLU X 12 71.500 -2.514 12.352 1.00 0.00 C ATOM 165 CD GLU X 12 72.586 -3.353 12.915 1.00 0.00 C ATOM 166 OE1 GLU X 12 72.567 -4.569 12.714 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.503 -2.803 13.570 1.00 0.00 O ATOM 0 H GLU X 12 70.867 -0.173 12.132 1.00 0.00 H new ATOM 0 HA GLU X 12 71.124 -0.771 9.417 1.00 0.00 H new ATOM 0 HB2 GLU X 12 71.858 -2.996 10.306 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.732 -1.589 10.878 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.377 -1.623 12.967 1.00 0.00 H new ATOM 0 HG3 GLU X 12 70.560 -3.064 12.396 1.00 0.00 H new ATOM 174 N ALA X 13 68.550 -2.262 10.815 1.00 0.00 N ATOM 175 CA ALA X 13 67.310 -2.958 10.490 1.00 0.00 C ATOM 176 C ALA X 13 66.341 -2.057 9.704 1.00 0.00 C ATOM 177 O ALA X 13 65.695 -2.527 8.780 1.00 0.00 O ATOM 178 CB ALA X 13 66.648 -3.521 11.734 1.00 0.00 C ATOM 0 H ALA X 13 68.665 -2.043 11.805 1.00 0.00 H new ATOM 0 HA ALA X 13 67.572 -3.797 9.845 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.727 -4.033 11.456 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.323 -4.226 12.218 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.418 -2.708 12.423 1.00 0.00 H new ATOM 184 N GLU X 14 66.250 -0.755 10.055 1.00 0.00 N ATOM 185 CA GLU X 14 65.410 0.183 9.275 1.00 0.00 C ATOM 186 C GLU X 14 65.871 0.218 7.841 1.00 0.00 C ATOM 187 O GLU X 14 65.055 0.252 6.912 1.00 0.00 O ATOM 188 CB GLU X 14 65.432 1.617 9.847 1.00 0.00 C ATOM 189 CG GLU X 14 64.460 1.883 10.991 1.00 0.00 C ATOM 190 CD GLU X 14 63.003 1.897 10.552 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.528 2.942 10.044 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.298 0.882 10.726 1.00 0.00 O ATOM 0 H GLU X 14 66.733 -0.337 10.851 1.00 0.00 H new ATOM 0 HA GLU X 14 64.386 -0.185 9.338 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.442 1.836 10.194 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.214 2.315 9.039 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.594 1.120 11.757 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.703 2.841 11.450 1.00 0.00 H new ATOM 199 N PHE X 15 67.174 0.163 7.667 1.00 0.00 N ATOM 200 CA PHE X 15 67.760 0.209 6.371 1.00 0.00 C ATOM 201 C PHE X 15 67.540 -1.114 5.642 1.00 0.00 C ATOM 202 O PHE X 15 67.185 -1.102 4.479 1.00 0.00 O ATOM 203 CB PHE X 15 69.244 0.559 6.457 1.00 0.00 C ATOM 204 CG PHE X 15 69.808 1.126 5.186 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.515 2.423 4.811 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.630 0.381 4.374 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.034 2.954 3.655 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.155 0.911 3.218 1.00 0.00 C ATOM 209 CZ PHE X 15 70.854 2.198 2.862 1.00 0.00 C ATOM 0 H PHE X 15 67.847 0.085 8.430 1.00 0.00 H new ATOM 0 HA PHE X 15 67.272 0.996 5.796 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.392 1.279 7.262 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.804 -0.337 6.724 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.871 3.026 5.433 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.867 -0.636 4.648 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.795 3.968 3.372 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.803 0.314 2.593 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.264 2.617 1.955 1.00 0.00 H new ATOM 219 N VAL X 16 67.719 -2.259 6.335 1.00 0.00 N ATOM 220 CA VAL X 16 67.494 -3.570 5.695 1.00 0.00 C ATOM 221 C VAL X 16 66.039 -3.712 5.266 1.00 0.00 C ATOM 222 O VAL X 16 65.754 -4.265 4.230 1.00 0.00 O ATOM 223 CB VAL X 16 67.930 -4.817 6.553 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.328 -4.725 7.051 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.956 -5.204 7.640 1.00 0.00 C ATOM 0 H VAL X 16 68.011 -2.303 7.311 1.00 0.00 H new ATOM 0 HA VAL X 16 68.151 -3.574 4.825 1.00 0.00 H new ATOM 0 HB VAL X 16 67.905 -5.646 5.845 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.566 -5.615 7.634 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.012 -4.652 6.205 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.433 -3.840 7.679 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.338 -6.071 8.179 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.834 -4.371 8.333 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.992 -5.449 7.194 1.00 0.00 H new ATOM 235 N GLN X 17 65.147 -3.173 6.071 1.00 0.00 N ATOM 236 CA GLN X 17 63.734 -3.149 5.829 1.00 0.00 C ATOM 237 C GLN X 17 63.447 -2.374 4.553 1.00 0.00 C ATOM 238 O GLN X 17 62.725 -2.848 3.672 1.00 0.00 O ATOM 239 CB GLN X 17 63.130 -2.420 6.984 1.00 0.00 C ATOM 240 CG GLN X 17 61.660 -2.241 6.930 1.00 0.00 C ATOM 241 CD GLN X 17 61.196 -1.241 7.948 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.099 -1.342 8.478 1.00 0.00 O ATOM 243 NE2 GLN X 17 61.995 -0.223 8.178 1.00 0.00 N ATOM 0 H GLN X 17 65.407 -2.722 6.948 1.00 0.00 H new ATOM 0 HA GLN X 17 63.331 -4.156 5.723 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.379 -2.956 7.900 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.595 -1.437 7.054 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.368 -1.911 5.933 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.168 -3.198 7.106 1.00 0.00 H new ATOM 0 HE21 GLN X 17 62.903 -0.173 7.717 1.00 0.00 H new ATOM 0 HE22 GLN X 17 61.707 0.517 8.818 1.00 0.00 H new ATOM 252 N LEU X 18 64.034 -1.188 4.468 1.00 0.00 N ATOM 253 CA LEU X 18 63.897 -0.332 3.315 1.00 0.00 C ATOM 254 C LEU X 18 64.461 -1.062 2.101 1.00 0.00 C ATOM 255 O LEU X 18 63.863 -1.091 1.036 1.00 0.00 O ATOM 256 CB LEU X 18 64.611 1.021 3.600 1.00 0.00 C ATOM 257 CG LEU X 18 64.677 2.108 2.496 1.00 0.00 C ATOM 258 CD1 LEU X 18 65.886 1.926 1.611 1.00 0.00 C ATOM 259 CD2 LEU X 18 63.416 2.126 1.653 1.00 0.00 C ATOM 0 H LEU X 18 64.620 -0.797 5.206 1.00 0.00 H new ATOM 0 HA LEU X 18 62.852 -0.103 3.104 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.125 1.468 4.467 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.636 0.792 3.892 1.00 0.00 H new ATOM 0 HG LEU X 18 64.763 3.068 3.006 1.00 0.00 H new ATOM 0 HD11 LEU X 18 65.900 2.705 0.849 1.00 0.00 H new ATOM 0 HD12 LEU X 18 66.792 1.992 2.214 1.00 0.00 H new ATOM 0 HD13 LEU X 18 65.841 0.949 1.130 1.00 0.00 H new ATOM 0 HD21 LEU X 18 63.499 2.900 0.890 1.00 0.00 H new ATOM 0 HD22 LEU X 18 63.285 1.156 1.173 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.556 2.334 2.289 1.00 0.00 H new ATOM 271 N LEU X 19 65.581 -1.677 2.315 1.00 0.00 N ATOM 272 CA LEU X 19 66.260 -2.492 1.325 1.00 0.00 C ATOM 273 C LEU X 19 65.427 -3.650 0.799 1.00 0.00 C ATOM 274 O LEU X 19 65.474 -3.964 -0.396 1.00 0.00 O ATOM 275 CB LEU X 19 67.573 -2.942 1.868 1.00 0.00 C ATOM 276 CG LEU X 19 68.758 -2.088 1.418 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.458 -0.609 1.453 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.887 -2.345 2.298 1.00 0.00 C ATOM 0 H LEU X 19 66.073 -1.632 3.207 1.00 0.00 H new ATOM 0 HA LEU X 19 66.429 -1.865 0.450 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.526 -2.935 2.957 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.746 -3.974 1.563 1.00 0.00 H new ATOM 0 HG LEU X 19 68.979 -2.361 0.386 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.335 -0.052 1.123 1.00 0.00 H new ATOM 0 HD12 LEU X 19 67.620 -0.392 0.790 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.202 -0.314 2.470 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.738 -1.740 1.985 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.616 -2.088 3.322 1.00 0.00 H new ATOM 0 HD23 LEU X 19 70.154 -3.400 2.248 1.00 0.00 H new ATOM 290 N LYS X 20 64.641 -4.256 1.674 1.00 0.00 N ATOM 291 CA LYS X 20 63.734 -5.332 1.288 1.00 0.00 C ATOM 292 C LYS X 20 62.660 -4.788 0.375 1.00 0.00 C ATOM 293 O LYS X 20 62.278 -5.426 -0.621 1.00 0.00 O ATOM 294 CB LYS X 20 63.078 -5.973 2.509 1.00 0.00 C ATOM 295 CG LYS X 20 64.048 -6.601 3.467 1.00 0.00 C ATOM 296 CD LYS X 20 63.335 -7.446 4.496 1.00 0.00 C ATOM 297 CE LYS X 20 64.317 -8.084 5.456 1.00 0.00 C ATOM 298 NZ LYS X 20 63.646 -8.999 6.395 1.00 0.00 N ATOM 0 H LYS X 20 64.611 -4.020 2.666 1.00 0.00 H new ATOM 0 HA LYS X 20 64.317 -6.094 0.771 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.501 -5.215 3.038 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.373 -6.733 2.172 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.758 -7.218 2.916 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.623 -5.822 3.968 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.629 -6.829 5.051 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.756 -8.222 3.995 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.073 -8.631 4.893 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.837 -7.306 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.350 -9.416 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 62.942 -8.472 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.171 -9.756 5.863 1.00 0.00 H new ATOM 312 N GLU X 21 62.194 -3.599 0.708 1.00 0.00 N ATOM 313 CA GLU X 21 61.195 -2.915 -0.072 1.00 0.00 C ATOM 314 C GLU X 21 61.734 -2.569 -1.440 1.00 0.00 C ATOM 315 O GLU X 21 61.019 -2.668 -2.440 1.00 0.00 O ATOM 316 CB GLU X 21 60.714 -1.658 0.643 1.00 0.00 C ATOM 317 CG GLU X 21 60.017 -1.937 1.955 1.00 0.00 C ATOM 318 CD GLU X 21 58.783 -2.777 1.771 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.733 -2.223 1.434 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.835 -4.005 1.978 1.00 0.00 O ATOM 0 H GLU X 21 62.503 -3.083 1.532 1.00 0.00 H new ATOM 0 HA GLU X 21 60.344 -3.585 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.568 -1.005 0.826 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.033 -1.115 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.705 -2.447 2.630 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.746 -0.994 2.429 1.00 0.00 H new ATOM 327 N ILE X 22 63.007 -2.200 -1.489 1.00 0.00 N ATOM 328 CA ILE X 22 63.636 -1.854 -2.738 1.00 0.00 C ATOM 329 C ILE X 22 63.619 -3.040 -3.703 1.00 0.00 C ATOM 330 O ILE X 22 63.260 -2.886 -4.865 1.00 0.00 O ATOM 331 CB ILE X 22 65.083 -1.306 -2.586 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.103 -0.094 -1.649 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.586 -0.882 -3.948 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.454 0.593 -1.572 1.00 0.00 C ATOM 0 H ILE X 22 63.617 -2.135 -0.674 1.00 0.00 H new ATOM 0 HA ILE X 22 63.042 -1.038 -3.149 1.00 0.00 H new ATOM 0 HB ILE X 22 65.718 -2.086 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.357 0.626 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.810 -0.414 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.601 -0.495 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.584 -1.740 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.936 -0.105 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.392 1.441 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.201 -0.112 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.741 0.944 -2.563 1.00 0.00 H new ATOM 346 N GLU X 23 63.961 -4.225 -3.201 1.00 0.00 N ATOM 347 CA GLU X 23 63.952 -5.449 -4.017 1.00 0.00 C ATOM 348 C GLU X 23 62.578 -5.700 -4.583 1.00 0.00 C ATOM 349 O GLU X 23 62.411 -5.966 -5.769 1.00 0.00 O ATOM 350 CB GLU X 23 64.272 -6.657 -3.184 1.00 0.00 C ATOM 351 CG GLU X 23 65.630 -6.709 -2.568 1.00 0.00 C ATOM 352 CD GLU X 23 65.845 -8.061 -1.956 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.050 -8.463 -1.073 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.771 -8.779 -2.386 1.00 0.00 O ATOM 0 H GLU X 23 64.249 -4.369 -2.233 1.00 0.00 H new ATOM 0 HA GLU X 23 64.693 -5.300 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.534 -6.724 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.148 -7.542 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.392 -6.513 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.727 -5.934 -1.808 1.00 0.00 H new ATOM 361 N LYS X 24 61.614 -5.570 -3.714 1.00 0.00 N ATOM 362 CA LYS X 24 60.226 -5.852 -3.979 1.00 0.00 C ATOM 363 C LYS X 24 59.694 -4.975 -5.109 1.00 0.00 C ATOM 364 O LYS X 24 59.121 -5.480 -6.084 1.00 0.00 O ATOM 365 CB LYS X 24 59.471 -5.604 -2.685 1.00 0.00 C ATOM 366 CG LYS X 24 57.966 -5.775 -2.749 1.00 0.00 C ATOM 367 CD LYS X 24 57.315 -5.401 -1.421 1.00 0.00 C ATOM 368 CE LYS X 24 57.734 -6.337 -0.299 1.00 0.00 C ATOM 369 NZ LYS X 24 57.172 -5.931 1.005 1.00 0.00 N ATOM 0 H LYS X 24 61.779 -5.251 -2.759 1.00 0.00 H new ATOM 0 HA LYS X 24 60.096 -6.884 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.861 -6.281 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.687 -4.589 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.559 -5.152 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.724 -6.808 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.585 -4.378 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS X 24 56.231 -5.426 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS X 24 57.409 -7.351 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.822 -6.358 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.872 -6.776 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.895 -5.421 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.352 -5.310 0.851 1.00 0.00 H new ATOM 383 N GLU X 25 59.933 -3.690 -5.004 1.00 0.00 N ATOM 384 CA GLU X 25 59.493 -2.742 -5.995 1.00 0.00 C ATOM 385 C GLU X 25 60.315 -2.876 -7.287 1.00 0.00 C ATOM 386 O GLU X 25 59.827 -2.585 -8.387 1.00 0.00 O ATOM 387 CB GLU X 25 59.600 -1.336 -5.423 1.00 0.00 C ATOM 388 CG GLU X 25 58.706 -1.096 -4.215 1.00 0.00 C ATOM 389 CD GLU X 25 57.244 -1.199 -4.549 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.703 -0.252 -5.134 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.600 -2.226 -4.229 1.00 0.00 O ATOM 0 H GLU X 25 60.441 -3.272 -4.224 1.00 0.00 H new ATOM 0 HA GLU X 25 58.453 -2.946 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.636 -1.146 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.345 -0.617 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.949 -1.820 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU X 25 58.913 -0.107 -3.805 1.00 0.00 H new ATOM 398 N ASN X 26 61.549 -3.336 -7.144 1.00 0.00 N ATOM 399 CA ASN X 26 62.459 -3.540 -8.277 1.00 0.00 C ATOM 400 C ASN X 26 62.023 -4.709 -9.134 1.00 0.00 C ATOM 401 O ASN X 26 61.810 -4.557 -10.335 1.00 0.00 O ATOM 402 CB ASN X 26 63.907 -3.762 -7.793 1.00 0.00 C ATOM 403 CG ASN X 26 64.884 -4.068 -8.923 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.732 -3.601 -10.053 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.884 -4.862 -8.626 1.00 0.00 N ATOM 0 H ASN X 26 61.954 -3.581 -6.241 1.00 0.00 H new ATOM 0 HA ASN X 26 62.424 -2.634 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.245 -2.872 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.921 -4.585 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.567 -5.111 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.979 -5.230 -7.680 1.00 0.00 H new ATOM 412 N VAL X 27 61.843 -5.861 -8.504 1.00 0.00 N ATOM 413 CA VAL X 27 61.506 -7.094 -9.220 1.00 0.00 C ATOM 414 C VAL X 27 60.099 -7.053 -9.818 1.00 0.00 C ATOM 415 O VAL X 27 59.781 -7.806 -10.746 1.00 0.00 O ATOM 416 CB VAL X 27 61.680 -8.362 -8.336 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.128 -8.509 -7.883 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.735 -8.349 -7.133 1.00 0.00 C ATOM 0 H VAL X 27 61.924 -5.973 -7.493 1.00 0.00 H new ATOM 0 HA VAL X 27 62.219 -7.160 -10.042 1.00 0.00 H new ATOM 0 HB VAL X 27 61.418 -9.225 -8.948 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.227 -9.402 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.775 -8.597 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.418 -7.633 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.887 -9.251 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.940 -7.473 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.703 -8.314 -7.482 1.00 0.00 H new ATOM 428 N ALA X 28 59.267 -6.180 -9.286 1.00 0.00 N ATOM 429 CA ALA X 28 57.920 -6.010 -9.783 1.00 0.00 C ATOM 430 C ALA X 28 57.860 -4.866 -10.778 1.00 0.00 C ATOM 431 O ALA X 28 56.883 -4.736 -11.523 1.00 0.00 O ATOM 432 CB ALA X 28 56.965 -5.744 -8.636 1.00 0.00 C ATOM 0 H ALA X 28 59.505 -5.573 -8.502 1.00 0.00 H new ATOM 0 HA ALA X 28 57.623 -6.930 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.955 -5.618 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.985 -6.586 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.268 -4.837 -8.113 1.00 0.00 H new ATOM 438 N ALA X 29 58.923 -4.065 -10.797 1.00 0.00 N ATOM 439 CA ALA X 29 59.032 -2.864 -11.616 1.00 0.00 C ATOM 440 C ALA X 29 57.835 -1.938 -11.396 1.00 0.00 C ATOM 441 O ALA X 29 56.945 -1.819 -12.246 1.00 0.00 O ATOM 442 CB ALA X 29 59.243 -3.192 -13.092 1.00 0.00 C ATOM 0 H ALA X 29 59.752 -4.239 -10.229 1.00 0.00 H new ATOM 0 HA ALA X 29 59.924 -2.327 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.318 -2.267 -13.663 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.162 -3.767 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.400 -3.777 -13.459 1.00 0.00 H new ATOM 448 N THR X 30 57.783 -1.339 -10.225 1.00 0.00 N ATOM 449 CA THR X 30 56.667 -0.488 -9.856 1.00 0.00 C ATOM 450 C THR X 30 56.914 0.951 -10.287 1.00 0.00 C ATOM 451 O THR X 30 55.990 1.760 -10.394 1.00 0.00 O ATOM 452 CB THR X 30 56.432 -0.559 -8.345 1.00 0.00 C ATOM 453 OG1 THR X 30 57.590 -0.069 -7.650 1.00 0.00 O ATOM 454 CG2 THR X 30 56.208 -1.999 -7.940 1.00 0.00 C ATOM 0 H THR X 30 58.503 -1.425 -9.508 1.00 0.00 H new ATOM 0 HA THR X 30 55.776 -0.846 -10.371 1.00 0.00 H new ATOM 0 HB THR X 30 55.562 0.047 -8.092 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.355 0.124 -6.718 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.040 -2.053 -6.864 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.337 -2.393 -8.463 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.085 -2.591 -8.200 1.00 0.00 H new ATOM 462 N ASP X 31 58.167 1.237 -10.559 1.00 0.00 N ATOM 463 CA ASP X 31 58.650 2.511 -11.010 1.00 0.00 C ATOM 464 C ASP X 31 58.545 3.677 -10.080 1.00 0.00 C ATOM 465 O ASP X 31 59.559 4.226 -9.746 1.00 0.00 O ATOM 466 CB ASP X 31 58.303 2.852 -12.432 1.00 0.00 C ATOM 467 CG ASP X 31 59.229 2.203 -13.421 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.040 1.018 -13.763 1.00 0.00 O ATOM 469 OD2 ASP X 31 60.203 2.858 -13.855 1.00 0.00 O ATOM 0 H ASP X 31 58.912 0.546 -10.465 1.00 0.00 H new ATOM 0 HA ASP X 31 59.721 2.311 -10.993 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.279 2.539 -12.638 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.338 3.934 -12.562 1.00 0.00 H new ATOM 474 N ASP X 32 57.365 4.056 -9.636 1.00 0.00 N ATOM 475 CA ASP X 32 57.256 5.253 -8.778 1.00 0.00 C ATOM 476 C ASP X 32 57.971 5.075 -7.497 1.00 0.00 C ATOM 477 O ASP X 32 58.915 5.797 -7.211 1.00 0.00 O ATOM 478 CB ASP X 32 55.825 5.722 -8.526 1.00 0.00 C ATOM 479 CG ASP X 32 55.781 6.945 -7.613 1.00 0.00 C ATOM 480 OD1 ASP X 32 56.150 8.059 -8.056 1.00 0.00 O ATOM 481 OD2 ASP X 32 55.385 6.815 -6.435 1.00 0.00 O ATOM 0 H ASP X 32 56.485 3.581 -9.837 1.00 0.00 H new ATOM 0 HA ASP X 32 57.738 6.045 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.348 5.961 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.251 4.912 -8.076 1.00 0.00 H new ATOM 486 N VAL X 33 57.611 4.065 -6.778 1.00 0.00 N ATOM 487 CA VAL X 33 58.189 3.840 -5.510 1.00 0.00 C ATOM 488 C VAL X 33 59.552 3.271 -5.665 1.00 0.00 C ATOM 489 O VAL X 33 60.449 3.606 -4.921 1.00 0.00 O ATOM 490 CB VAL X 33 57.290 2.987 -4.622 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.035 2.528 -3.437 1.00 0.00 C ATOM 492 CG2 VAL X 33 56.173 3.828 -4.161 1.00 0.00 C ATOM 0 H VAL X 33 56.910 3.379 -7.058 1.00 0.00 H new ATOM 0 HA VAL X 33 58.288 4.797 -4.997 1.00 0.00 H new ATOM 0 HB VAL X 33 56.935 2.124 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.383 1.920 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL X 33 58.892 1.933 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.383 3.391 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.514 3.240 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.564 4.675 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.613 4.193 -5.022 1.00 0.00 H new ATOM 502 N LEU X 34 59.716 2.510 -6.705 1.00 0.00 N ATOM 503 CA LEU X 34 60.980 1.929 -7.035 1.00 0.00 C ATOM 504 C LEU X 34 61.982 3.051 -7.215 1.00 0.00 C ATOM 505 O LEU X 34 63.032 3.040 -6.598 1.00 0.00 O ATOM 506 CB LEU X 34 60.794 1.092 -8.313 1.00 0.00 C ATOM 507 CG LEU X 34 61.987 0.325 -8.898 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.733 1.179 -9.886 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.919 -0.184 -7.804 1.00 0.00 C ATOM 0 H LEU X 34 58.966 2.273 -7.355 1.00 0.00 H new ATOM 0 HA LEU X 34 61.355 1.271 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.005 0.366 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.424 1.761 -9.090 1.00 0.00 H new ATOM 0 HG LEU X 34 61.596 -0.546 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.575 0.617 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.064 1.464 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.101 2.076 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.752 -0.722 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.301 0.660 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.371 -0.854 -7.142 1.00 0.00 H new ATOM 521 N ASP X 35 61.598 4.058 -7.960 1.00 0.00 N ATOM 522 CA ASP X 35 62.459 5.203 -8.195 1.00 0.00 C ATOM 523 C ASP X 35 62.707 5.940 -6.934 1.00 0.00 C ATOM 524 O ASP X 35 63.851 6.300 -6.669 1.00 0.00 O ATOM 525 CB ASP X 35 61.895 6.129 -9.251 1.00 0.00 C ATOM 526 CG ASP X 35 62.830 7.235 -9.684 1.00 0.00 C ATOM 527 OD1 ASP X 35 64.004 6.964 -10.032 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.399 8.405 -9.710 1.00 0.00 O ATOM 0 H ASP X 35 60.689 4.113 -8.419 1.00 0.00 H new ATOM 0 HA ASP X 35 63.409 4.822 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.623 5.538 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.977 6.576 -8.870 1.00 0.00 H new ATOM 533 N VAL X 36 61.655 6.109 -6.119 1.00 0.00 N ATOM 534 CA VAL X 36 61.788 6.806 -4.848 1.00 0.00 C ATOM 535 C VAL X 36 62.824 6.156 -4.019 1.00 0.00 C ATOM 536 O VAL X 36 63.748 6.783 -3.583 1.00 0.00 O ATOM 537 CB VAL X 36 60.542 6.679 -3.966 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.746 7.421 -2.697 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.347 7.163 -4.612 1.00 0.00 C ATOM 0 H VAL X 36 60.714 5.773 -6.322 1.00 0.00 H new ATOM 0 HA VAL X 36 61.998 7.840 -5.120 1.00 0.00 H new ATOM 0 HB VAL X 36 60.401 5.616 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.857 7.327 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.605 7.008 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.926 8.473 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.497 7.047 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.470 8.217 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.169 6.591 -5.523 1.00 0.00 H new ATOM 549 N LEU X 37 62.698 4.870 -3.901 1.00 0.00 N ATOM 550 CA LEU X 37 63.507 4.113 -3.016 1.00 0.00 C ATOM 551 C LEU X 37 64.909 4.105 -3.473 1.00 0.00 C ATOM 552 O LEU X 37 65.817 4.229 -2.680 1.00 0.00 O ATOM 553 CB LEU X 37 63.008 2.712 -2.914 1.00 0.00 C ATOM 554 CG LEU X 37 61.538 2.542 -2.499 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.135 1.087 -2.456 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.249 3.218 -1.163 1.00 0.00 C ATOM 0 H LEU X 37 62.021 4.317 -4.426 1.00 0.00 H new ATOM 0 HA LEU X 37 63.455 4.580 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.149 2.227 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.630 2.178 -2.196 1.00 0.00 H new ATOM 0 HG LEU X 37 60.936 3.035 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.089 1.008 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.266 0.644 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.758 0.558 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.200 3.076 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.877 2.778 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.463 4.284 -1.241 1.00 0.00 H new ATOM 568 N LEU X 38 65.073 3.994 -4.753 1.00 0.00 N ATOM 569 CA LEU X 38 66.358 3.980 -5.353 1.00 0.00 C ATOM 570 C LEU X 38 67.090 5.287 -5.129 1.00 0.00 C ATOM 571 O LEU X 38 68.228 5.287 -4.659 1.00 0.00 O ATOM 572 CB LEU X 38 66.217 3.694 -6.826 1.00 0.00 C ATOM 573 CG LEU X 38 65.760 2.286 -7.207 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.790 2.110 -8.692 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.563 1.201 -6.506 1.00 0.00 C ATOM 0 H LEU X 38 64.303 3.910 -5.416 1.00 0.00 H new ATOM 0 HA LEU X 38 66.952 3.195 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.508 4.408 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.179 3.881 -7.303 1.00 0.00 H new ATOM 0 HG LEU X 38 64.731 2.177 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.462 1.102 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.124 2.836 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.806 2.263 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.196 0.221 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.615 1.296 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.454 1.307 -5.427 1.00 0.00 H new ATOM 587 N GLU X 39 66.433 6.398 -5.414 1.00 0.00 N ATOM 588 CA GLU X 39 67.061 7.690 -5.212 1.00 0.00 C ATOM 589 C GLU X 39 67.204 8.024 -3.744 1.00 0.00 C ATOM 590 O GLU X 39 68.181 8.636 -3.335 1.00 0.00 O ATOM 591 CB GLU X 39 66.401 8.815 -5.994 1.00 0.00 C ATOM 592 CG GLU X 39 64.900 8.950 -5.842 1.00 0.00 C ATOM 593 CD GLU X 39 64.390 10.224 -6.429 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.591 10.465 -7.637 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.802 11.032 -5.687 1.00 0.00 O ATOM 0 H GLU X 39 65.481 6.432 -5.780 1.00 0.00 H new ATOM 0 HA GLU X 39 68.066 7.599 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.861 9.756 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.626 8.674 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.409 8.106 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.638 8.907 -4.785 1.00 0.00 H new ATOM 602 N HIS X 40 66.237 7.593 -2.964 1.00 0.00 N ATOM 603 CA HIS X 40 66.237 7.772 -1.525 1.00 0.00 C ATOM 604 C HIS X 40 67.448 7.089 -0.944 1.00 0.00 C ATOM 605 O HIS X 40 68.172 7.653 -0.144 1.00 0.00 O ATOM 606 CB HIS X 40 64.950 7.164 -0.945 1.00 0.00 C ATOM 607 CG HIS X 40 64.785 7.281 0.527 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.172 8.337 1.135 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.153 6.437 1.514 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.182 8.122 2.440 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.768 6.974 2.724 1.00 0.00 N ATOM 0 H HIS X 40 65.415 7.101 -3.315 1.00 0.00 H new ATOM 0 HA HIS X 40 66.274 8.832 -1.275 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.096 7.641 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.917 6.108 -1.212 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.775 9.151 0.665 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.665 5.496 1.378 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.766 8.796 3.175 1.00 0.00 H new ATOM 619 N PHE X 41 67.666 5.904 -1.404 1.00 0.00 N ATOM 620 CA PHE X 41 68.771 5.098 -1.020 1.00 0.00 C ATOM 621 C PHE X 41 70.094 5.785 -1.374 1.00 0.00 C ATOM 622 O PHE X 41 70.955 5.958 -0.521 1.00 0.00 O ATOM 623 CB PHE X 41 68.607 3.752 -1.710 1.00 0.00 C ATOM 624 CG PHE X 41 69.763 2.832 -1.657 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.008 2.061 -0.541 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.602 2.730 -2.733 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.083 1.200 -0.511 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.666 1.878 -2.699 1.00 0.00 C ATOM 629 CZ PHE X 41 71.910 1.113 -1.602 1.00 0.00 C ATOM 0 H PHE X 41 67.054 5.454 -2.085 1.00 0.00 H new ATOM 0 HA PHE X 41 68.796 4.950 0.060 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.749 3.246 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.365 3.934 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.353 2.132 0.315 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.420 3.328 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.273 0.598 0.365 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.323 1.810 -3.554 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.753 0.438 -1.589 1.00 0.00 H new ATOM 639 N VAL X 42 70.253 6.188 -2.604 1.00 0.00 N ATOM 640 CA VAL X 42 71.479 6.853 -3.012 1.00 0.00 C ATOM 641 C VAL X 42 71.687 8.232 -2.388 1.00 0.00 C ATOM 642 O VAL X 42 72.783 8.599 -2.094 1.00 0.00 O ATOM 643 CB VAL X 42 71.739 6.803 -4.542 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.582 7.223 -5.362 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.011 7.505 -4.973 1.00 0.00 C ATOM 0 H VAL X 42 69.560 6.073 -3.344 1.00 0.00 H new ATOM 0 HA VAL X 42 72.273 6.246 -2.577 1.00 0.00 H new ATOM 0 HB VAL X 42 71.889 5.742 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.843 7.160 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.735 6.568 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.314 8.250 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.122 7.426 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL X 42 72.960 8.556 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.867 7.038 -4.486 1.00 0.00 H new ATOM 655 N LYS X 43 70.638 8.948 -2.145 1.00 0.00 N ATOM 656 CA LYS X 43 70.770 10.303 -1.528 1.00 0.00 C ATOM 657 C LYS X 43 71.281 10.226 -0.083 1.00 0.00 C ATOM 658 O LYS X 43 71.983 11.126 0.388 1.00 0.00 O ATOM 659 CB LYS X 43 69.445 11.117 -1.572 1.00 0.00 C ATOM 660 CG LYS X 43 68.383 10.677 -0.536 1.00 0.00 C ATOM 661 CD LYS X 43 67.046 11.391 -0.711 1.00 0.00 C ATOM 662 CE LYS X 43 67.075 12.862 -0.283 1.00 0.00 C ATOM 663 NZ LYS X 43 67.293 13.032 1.174 1.00 0.00 N ATOM 0 H LYS X 43 69.681 8.658 -2.346 1.00 0.00 H new ATOM 0 HA LYS X 43 71.507 10.829 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.676 12.170 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.016 11.033 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.227 9.601 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.762 10.868 0.468 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.746 11.332 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.286 10.868 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.866 13.378 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.134 13.336 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.169 14.033 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.606 12.453 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.258 12.729 1.418 1.00 0.00 H new ATOM 677 N ILE X 44 70.908 9.185 0.618 1.00 0.00 N ATOM 678 CA ILE X 44 71.316 9.037 1.995 1.00 0.00 C ATOM 679 C ILE X 44 72.683 8.361 2.087 1.00 0.00 C ATOM 680 O ILE X 44 73.510 8.732 2.910 1.00 0.00 O ATOM 681 CB ILE X 44 70.240 8.277 2.832 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.937 6.910 2.219 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.965 9.111 2.908 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.850 6.136 2.904 1.00 0.00 C ATOM 0 H ILE X 44 70.324 8.429 0.261 1.00 0.00 H new ATOM 0 HA ILE X 44 71.409 10.034 2.426 1.00 0.00 H new ATOM 0 HB ILE X 44 70.630 8.119 3.837 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.660 7.050 1.174 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.849 6.313 2.229 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.216 8.578 3.493 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.183 10.067 3.383 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.583 9.285 1.902 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.708 5.181 2.397 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.129 5.958 3.942 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.921 6.706 2.871 1.00 0.00 H new ATOM 696 N THR X 45 72.937 7.420 1.192 1.00 0.00 N ATOM 697 CA THR X 45 74.185 6.684 1.205 1.00 0.00 C ATOM 698 C THR X 45 75.279 7.447 0.473 1.00 0.00 C ATOM 699 O THR X 45 76.468 7.360 0.831 1.00 0.00 O ATOM 700 CB THR X 45 74.017 5.298 0.545 1.00 0.00 C ATOM 701 OG1 THR X 45 73.577 5.457 -0.816 1.00 0.00 O ATOM 702 CG2 THR X 45 72.994 4.473 1.291 1.00 0.00 C ATOM 0 H THR X 45 72.293 7.150 0.448 1.00 0.00 H new ATOM 0 HA THR X 45 74.471 6.557 2.249 1.00 0.00 H new ATOM 0 HB THR X 45 74.980 4.789 0.572 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.603 5.359 -0.858 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.890 3.500 0.810 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.320 4.335 2.322 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.033 4.988 1.280 1.00 0.00 H new ATOM 710 N GLU X 46 74.860 8.175 -0.567 1.00 0.00 N ATOM 711 CA GLU X 46 75.720 8.927 -1.466 1.00 0.00 C ATOM 712 C GLU X 46 76.649 8.006 -2.246 1.00 0.00 C ATOM 713 O GLU X 46 77.638 8.446 -2.846 1.00 0.00 O ATOM 714 CB GLU X 46 76.447 10.043 -0.731 1.00 0.00 C ATOM 715 CG GLU X 46 75.588 11.256 -0.449 1.00 0.00 C ATOM 716 CD GLU X 46 75.136 11.940 -1.710 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.985 12.550 -2.410 1.00 0.00 O ATOM 718 OE2 GLU X 46 73.946 11.902 -2.031 1.00 0.00 O ATOM 0 H GLU X 46 73.872 8.255 -0.809 1.00 0.00 H new ATOM 0 HA GLU X 46 75.093 9.418 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.829 9.654 0.213 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.310 10.351 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.716 10.954 0.131 1.00 0.00 H new ATOM 0 HG3 GLU X 46 76.149 11.962 0.164 1.00 0.00 H new ATOM 725 N HIS X 47 76.270 6.733 -2.297 1.00 0.00 N ATOM 726 CA HIS X 47 77.034 5.733 -2.999 1.00 0.00 C ATOM 727 C HIS X 47 76.847 5.962 -4.507 1.00 0.00 C ATOM 728 O HIS X 47 75.727 6.072 -4.961 1.00 0.00 O ATOM 729 CB HIS X 47 76.558 4.317 -2.597 1.00 0.00 C ATOM 730 CG HIS X 47 77.443 3.226 -3.112 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.158 2.429 -4.187 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.660 2.852 -2.698 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.206 1.626 -4.389 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.141 1.843 -3.511 1.00 0.00 N ATOM 0 H HIS X 47 75.425 6.376 -1.851 1.00 0.00 H new ATOM 0 HA HIS X 47 78.090 5.813 -2.741 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.509 4.253 -1.510 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.546 4.162 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.187 3.275 -1.855 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.269 0.892 -5.179 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.041 1.368 -3.438 1.00 0.00 H new ATOM 742 N PRO X 48 77.929 5.976 -5.312 1.00 0.00 N ATOM 743 CA PRO X 48 77.858 6.339 -6.749 1.00 0.00 C ATOM 744 C PRO X 48 77.161 5.306 -7.569 1.00 0.00 C ATOM 745 O PRO X 48 76.696 5.562 -8.672 1.00 0.00 O ATOM 746 CB PRO X 48 79.314 6.353 -7.174 1.00 0.00 C ATOM 747 CG PRO X 48 80.097 6.370 -5.934 1.00 0.00 C ATOM 748 CD PRO X 48 79.292 5.596 -4.952 1.00 0.00 C ATOM 0 HA PRO X 48 77.314 7.273 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.554 5.476 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.533 7.228 -7.786 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.078 5.918 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.265 7.390 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.455 4.522 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.533 5.866 -3.924 1.00 0.00 H new ATOM 756 N ASP X 49 77.051 4.163 -7.003 1.00 0.00 N ATOM 757 CA ASP X 49 76.554 3.049 -7.667 1.00 0.00 C ATOM 758 C ASP X 49 75.460 2.505 -6.823 1.00 0.00 C ATOM 759 O ASP X 49 75.308 1.299 -6.676 1.00 0.00 O ATOM 760 CB ASP X 49 77.648 2.004 -7.891 1.00 0.00 C ATOM 761 CG ASP X 49 78.665 2.423 -8.912 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.622 3.127 -8.560 1.00 0.00 O ATOM 763 OD2 ASP X 49 78.534 2.037 -10.094 1.00 0.00 O ATOM 0 H ASP X 49 77.316 3.986 -6.034 1.00 0.00 H new ATOM 0 HA ASP X 49 76.184 3.321 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.152 1.807 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.188 1.068 -8.208 1.00 0.00 H new ATOM 768 N GLY X 50 74.737 3.438 -6.202 1.00 0.00 N ATOM 769 CA GLY X 50 73.627 3.129 -5.325 1.00 0.00 C ATOM 770 C GLY X 50 72.702 2.175 -5.916 1.00 0.00 C ATOM 771 O GLY X 50 72.482 1.095 -5.380 1.00 0.00 O ATOM 0 H GLY X 50 74.914 4.438 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.010 2.727 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.092 4.047 -5.083 1.00 0.00 H new ATOM 775 N THR X 51 72.269 2.483 -7.044 1.00 0.00 N ATOM 776 CA THR X 51 71.267 1.701 -7.649 1.00 0.00 C ATOM 777 C THR X 51 71.850 0.415 -8.201 1.00 0.00 C ATOM 778 O THR X 51 71.202 -0.639 -8.151 1.00 0.00 O ATOM 779 CB THR X 51 70.552 2.497 -8.707 1.00 0.00 C ATOM 780 OG1 THR X 51 70.989 3.873 -8.618 1.00 0.00 O ATOM 781 CG2 THR X 51 69.091 2.441 -8.420 1.00 0.00 C ATOM 0 H THR X 51 72.587 3.282 -7.592 1.00 0.00 H new ATOM 0 HA THR X 51 70.532 1.421 -6.895 1.00 0.00 H new ATOM 0 HB THR X 51 70.763 2.098 -9.699 1.00 0.00 H new ATOM 0 HG1 THR X 51 71.762 4.009 -9.205 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.550 3.012 -9.175 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.756 1.404 -8.440 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.897 2.866 -7.435 1.00 0.00 H new ATOM 789 N ALA X 52 73.105 0.486 -8.631 1.00 0.00 N ATOM 790 CA ALA X 52 73.805 -0.665 -9.134 1.00 0.00 C ATOM 791 C ALA X 52 73.903 -1.709 -8.072 1.00 0.00 C ATOM 792 O ALA X 52 73.733 -2.855 -8.364 1.00 0.00 O ATOM 793 CB ALA X 52 75.167 -0.297 -9.662 1.00 0.00 C ATOM 0 H ALA X 52 73.654 1.345 -8.636 1.00 0.00 H new ATOM 0 HA ALA X 52 73.237 -1.071 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.667 -1.191 -10.034 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.060 0.423 -10.473 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.761 0.144 -8.861 1.00 0.00 H new ATOM 799 N LEU X 53 74.116 -1.291 -6.821 1.00 0.00 N ATOM 800 CA LEU X 53 74.160 -2.231 -5.714 1.00 0.00 C ATOM 801 C LEU X 53 72.905 -3.067 -5.627 1.00 0.00 C ATOM 802 O LEU X 53 72.995 -4.282 -5.536 1.00 0.00 O ATOM 803 CB LEU X 53 74.428 -1.567 -4.369 1.00 0.00 C ATOM 804 CG LEU X 53 75.813 -0.963 -4.172 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.979 -0.531 -2.741 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.915 -1.947 -4.565 1.00 0.00 C ATOM 0 H LEU X 53 74.259 -0.316 -6.558 1.00 0.00 H new ATOM 0 HA LEU X 53 75.005 -2.884 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.689 -0.779 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.264 -2.306 -3.585 1.00 0.00 H new ATOM 0 HG LEU X 53 75.903 -0.094 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.971 -0.100 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.222 0.214 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.865 -1.394 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.889 -1.483 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.839 -2.843 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.803 -2.218 -5.615 1.00 0.00 H new ATOM 818 N ILE X 54 71.724 -2.436 -5.688 1.00 0.00 N ATOM 819 CA ILE X 54 70.488 -3.247 -5.577 1.00 0.00 C ATOM 820 C ILE X 54 70.334 -4.135 -6.803 1.00 0.00 C ATOM 821 O ILE X 54 69.988 -5.319 -6.716 1.00 0.00 O ATOM 822 CB ILE X 54 69.145 -2.468 -5.359 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.203 -1.564 -4.140 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.979 -3.445 -5.207 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.749 -0.207 -4.428 1.00 0.00 C ATOM 0 H ILE X 54 71.591 -1.432 -5.806 1.00 0.00 H new ATOM 0 HA ILE X 54 70.641 -3.816 -4.660 1.00 0.00 H new ATOM 0 HB ILE X 54 68.993 -1.844 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.200 -1.462 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.817 -2.039 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.055 -2.888 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.894 -4.053 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE X 54 68.156 -4.092 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.760 0.383 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.764 -0.298 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE X 54 69.122 0.288 -5.170 1.00 0.00 H new ATOM 837 N TYR X 55 70.617 -3.549 -7.936 1.00 0.00 N ATOM 838 CA TYR X 55 70.502 -4.210 -9.204 1.00 0.00 C ATOM 839 C TYR X 55 71.431 -5.408 -9.341 1.00 0.00 C ATOM 840 O TYR X 55 70.990 -6.490 -9.774 1.00 0.00 O ATOM 841 CB TYR X 55 70.648 -3.218 -10.338 1.00 0.00 C ATOM 842 CG TYR X 55 69.356 -2.497 -10.671 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.388 -3.108 -11.453 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.099 -1.220 -10.200 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.204 -2.470 -11.755 1.00 0.00 C ATOM 846 CE2 TYR X 55 67.920 -0.572 -10.496 1.00 0.00 C ATOM 847 CZ TYR X 55 66.974 -1.201 -11.274 1.00 0.00 C ATOM 848 OH TYR X 55 65.786 -0.558 -11.567 1.00 0.00 O ATOM 0 H TYR X 55 70.939 -2.583 -8.002 1.00 0.00 H new ATOM 0 HA TYR X 55 69.498 -4.630 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.409 -2.483 -10.074 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.004 -3.741 -11.226 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.565 -4.103 -11.833 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.837 -0.723 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.461 -2.963 -12.365 1.00 0.00 H new ATOM 0 HE2 TYR X 55 67.739 0.424 -10.120 1.00 0.00 H new ATOM 0 HH TYR X 55 65.783 0.329 -11.150 1.00 0.00 H new ATOM 858 N GLU X 56 72.682 -5.251 -8.950 1.00 0.00 N ATOM 859 CA GLU X 56 73.599 -6.357 -8.968 1.00 0.00 C ATOM 860 C GLU X 56 73.213 -7.374 -7.921 1.00 0.00 C ATOM 861 O GLU X 56 73.328 -8.567 -8.153 1.00 0.00 O ATOM 862 CB GLU X 56 75.079 -5.948 -8.853 1.00 0.00 C ATOM 863 CG GLU X 56 75.461 -5.141 -7.637 1.00 0.00 C ATOM 864 CD GLU X 56 76.944 -4.961 -7.543 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.512 -4.147 -8.301 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.587 -5.650 -6.729 1.00 0.00 O ATOM 0 H GLU X 56 73.077 -4.371 -8.619 1.00 0.00 H new ATOM 0 HA GLU X 56 73.514 -6.814 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.685 -6.854 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.344 -5.374 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.977 -4.165 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.096 -5.639 -6.739 1.00 0.00 H new ATOM 873 N ALA X 57 72.716 -6.897 -6.778 1.00 0.00 N ATOM 874 CA ALA X 57 72.267 -7.766 -5.696 1.00 0.00 C ATOM 875 C ALA X 57 71.190 -8.718 -6.176 1.00 0.00 C ATOM 876 O ALA X 57 71.193 -9.867 -5.805 1.00 0.00 O ATOM 877 CB ALA X 57 71.758 -6.966 -4.519 1.00 0.00 C ATOM 0 H ALA X 57 72.615 -5.902 -6.580 1.00 0.00 H new ATOM 0 HA ALA X 57 73.130 -8.346 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.432 -7.645 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.556 -6.328 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.918 -6.347 -4.835 1.00 0.00 H new ATOM 883 N ALA X 58 70.289 -8.238 -7.019 1.00 0.00 N ATOM 884 CA ALA X 58 69.241 -9.079 -7.589 1.00 0.00 C ATOM 885 C ALA X 58 69.848 -10.264 -8.360 1.00 0.00 C ATOM 886 O ALA X 58 69.439 -11.419 -8.174 1.00 0.00 O ATOM 887 CB ALA X 58 68.329 -8.259 -8.483 1.00 0.00 C ATOM 0 H ALA X 58 70.260 -7.266 -7.326 1.00 0.00 H new ATOM 0 HA ALA X 58 68.644 -9.483 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.554 -8.902 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.866 -7.464 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.912 -7.821 -9.294 1.00 0.00 H new ATOM 893 N ALA X 59 70.852 -9.979 -9.176 1.00 0.00 N ATOM 894 CA ALA X 59 71.540 -11.018 -9.946 1.00 0.00 C ATOM 895 C ALA X 59 72.349 -11.919 -9.009 1.00 0.00 C ATOM 896 O ALA X 59 72.381 -13.141 -9.151 1.00 0.00 O ATOM 897 CB ALA X 59 72.447 -10.383 -10.993 1.00 0.00 C ATOM 0 H ALA X 59 71.213 -9.037 -9.326 1.00 0.00 H new ATOM 0 HA ALA X 59 70.797 -11.629 -10.458 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.953 -11.165 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.849 -9.774 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.189 -9.755 -10.499 1.00 0.00 H new ATOM 903 N ARG X 60 72.971 -11.290 -8.045 1.00 0.00 N ATOM 904 CA ARG X 60 73.770 -11.943 -7.016 1.00 0.00 C ATOM 905 C ARG X 60 72.917 -12.847 -6.109 1.00 0.00 C ATOM 906 O ARG X 60 73.410 -13.815 -5.550 1.00 0.00 O ATOM 907 CB ARG X 60 74.520 -10.883 -6.214 1.00 0.00 C ATOM 908 CG ARG X 60 75.713 -10.268 -6.947 1.00 0.00 C ATOM 909 CD ARG X 60 76.157 -8.953 -6.306 1.00 0.00 C ATOM 910 NE ARG X 60 76.215 -9.029 -4.849 1.00 0.00 N ATOM 911 CZ ARG X 60 76.284 -7.965 -4.035 1.00 0.00 C ATOM 912 NH1 ARG X 60 76.660 -6.776 -4.491 1.00 0.00 N ATOM 913 NH2 ARG X 60 76.029 -8.099 -2.757 1.00 0.00 N ATOM 0 H ARG X 60 72.940 -10.276 -7.943 1.00 0.00 H new ATOM 0 HA ARG X 60 74.493 -12.600 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.825 -10.088 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.871 -11.329 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.544 -10.973 -6.944 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.448 -10.093 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG X 60 77.139 -8.679 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.468 -8.160 -6.597 1.00 0.00 H new ATOM 0 HE ARG X 60 76.202 -9.955 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG X 60 76.902 -6.660 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG X 60 76.707 -5.978 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG X 60 75.778 -9.013 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG X 60 76.082 -7.289 -2.139 1.00 0.00 H new ATOM 927 N ALA X 61 71.660 -12.486 -5.925 1.00 0.00 N ATOM 928 CA ALA X 61 70.717 -13.292 -5.161 1.00 0.00 C ATOM 929 C ALA X 61 70.301 -14.494 -5.971 1.00 0.00 C ATOM 930 O ALA X 61 70.216 -15.613 -5.455 1.00 0.00 O ATOM 931 CB ALA X 61 69.489 -12.473 -4.799 1.00 0.00 C ATOM 0 H ALA X 61 71.261 -11.626 -6.300 1.00 0.00 H new ATOM 0 HA ALA X 61 71.204 -13.621 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.795 -13.090 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.789 -11.614 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA X 61 69.001 -12.126 -5.710 1.00 0.00 H new ATOM 937 N ALA X 62 70.051 -14.257 -7.248 1.00 0.00 N ATOM 938 CA ALA X 62 69.645 -15.301 -8.164 1.00 0.00 C ATOM 939 C ALA X 62 70.762 -16.323 -8.338 1.00 0.00 C ATOM 940 O ALA X 62 70.521 -17.540 -8.338 1.00 0.00 O ATOM 941 CB ALA X 62 69.231 -14.703 -9.497 1.00 0.00 C ATOM 0 H ALA X 62 70.125 -13.334 -7.676 1.00 0.00 H new ATOM 0 HA ALA X 62 68.782 -15.819 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.928 -15.501 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.396 -14.019 -9.345 1.00 0.00 H new ATOM 0 HB3 ALA X 62 70.071 -14.159 -9.929 1.00 0.00 H new ATOM 947 N ALA X 63 71.979 -15.834 -8.476 1.00 0.00 N ATOM 948 CA ALA X 63 73.151 -16.679 -8.539 1.00 0.00 C ATOM 949 C ALA X 63 73.991 -16.470 -7.291 1.00 0.00 C ATOM 950 O ALA X 63 75.043 -15.806 -7.320 1.00 0.00 O ATOM 951 CB ALA X 63 73.972 -16.415 -9.791 1.00 0.00 C ATOM 0 H ALA X 63 72.181 -14.837 -8.548 1.00 0.00 H new ATOM 0 HA ALA X 63 72.823 -17.717 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA X 63 74.843 -17.070 -9.800 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.363 -16.610 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA X 63 74.300 -15.375 -9.799 1.00 0.00 H new ATOM 957 N ASN X 64 73.490 -16.983 -6.194 1.00 0.00 N ATOM 958 CA ASN X 64 74.115 -16.847 -4.884 1.00 0.00 C ATOM 959 C ASN X 64 75.374 -17.698 -4.775 1.00 0.00 C ATOM 960 O ASN X 64 75.316 -18.921 -4.910 1.00 0.00 O ATOM 961 CB ASN X 64 73.109 -17.221 -3.778 1.00 0.00 C ATOM 962 CG ASN X 64 73.733 -17.354 -2.386 1.00 0.00 C ATOM 963 OD1 ASN X 64 74.174 -18.431 -1.998 1.00 0.00 O ATOM 964 ND2 ASN X 64 73.740 -16.297 -1.617 1.00 0.00 N ATOM 0 H ASN X 64 72.622 -17.518 -6.177 1.00 0.00 H new ATOM 0 HA ASN X 64 74.412 -15.806 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN X 64 72.326 -16.464 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN X 64 72.629 -18.164 -4.041 1.00 0.00 H new ATOM 0 HD21 ASN X 64 74.118 -16.357 -0.671 1.00 0.00 H new ATOM 0 HD22 ASN X 64 73.368 -15.412 -1.962 1.00 0.00 H new ATOM 971 N PRO X 65 76.538 -17.062 -4.567 1.00 0.00 N ATOM 972 CA PRO X 65 77.796 -17.781 -4.402 1.00 0.00 C ATOM 973 C PRO X 65 78.029 -18.221 -2.939 1.00 0.00 C ATOM 974 O PRO X 65 78.880 -19.072 -2.646 1.00 0.00 O ATOM 975 CB PRO X 65 78.839 -16.745 -4.821 1.00 0.00 C ATOM 976 CG PRO X 65 78.230 -15.416 -4.492 1.00 0.00 C ATOM 977 CD PRO X 65 76.729 -15.590 -4.538 1.00 0.00 C ATOM 0 HA PRO X 65 77.827 -18.702 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO X 65 79.777 -16.892 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO X 65 79.065 -16.822 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO X 65 78.549 -15.080 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO X 65 78.552 -14.658 -5.206 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.249 -15.142 -3.668 1.00 0.00 H new ATOM 0 HD3 PRO X 65 76.299 -15.114 -5.419 1.00 0.00 H new ATOM 985 N GLY X 66 77.259 -17.652 -2.048 1.00 0.00 N ATOM 986 CA GLY X 66 77.397 -17.910 -0.645 1.00 0.00 C ATOM 987 C GLY X 66 77.560 -16.631 0.092 1.00 0.00 C ATOM 988 O GLY X 66 77.615 -15.563 -0.538 1.00 0.00 O ATOM 0 H GLY X 66 76.516 -16.994 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY X 66 76.520 -18.443 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.259 -18.554 -0.468 1.00 0.00 H new ATOM 992 N GLY X 67 77.646 -16.708 1.388 1.00 0.00 N ATOM 993 CA GLY X 67 77.833 -15.532 2.182 1.00 0.00 C ATOM 994 C GLY X 67 76.566 -14.710 2.263 1.00 0.00 C ATOM 995 O GLY X 67 75.486 -15.248 2.508 1.00 0.00 O ATOM 0 H GLY X 67 77.589 -17.578 1.918 1.00 0.00 H new ATOM 0 HA2 GLY X 67 78.148 -15.816 3.186 1.00 0.00 H new ATOM 0 HA3 GLY X 67 78.633 -14.927 1.756 1.00 0.00 H new ATOM 999 N ASP X 68 76.685 -13.415 2.065 1.00 0.00 N ATOM 1000 CA ASP X 68 75.508 -12.553 2.028 1.00 0.00 C ATOM 1001 C ASP X 68 74.888 -12.683 0.661 1.00 0.00 C ATOM 1002 O ASP X 68 73.691 -12.962 0.515 1.00 0.00 O ATOM 1003 CB ASP X 68 75.846 -11.064 2.294 1.00 0.00 C ATOM 1004 CG ASP X 68 76.465 -10.785 3.651 1.00 0.00 C ATOM 1005 OD1 ASP X 68 75.738 -10.718 4.665 1.00 0.00 O ATOM 1006 OD2 ASP X 68 77.703 -10.582 3.716 1.00 0.00 O ATOM 0 H ASP X 68 77.573 -12.933 1.928 1.00 0.00 H new ATOM 0 HA ASP X 68 74.826 -12.869 2.818 1.00 0.00 H new ATOM 0 HB2 ASP X 68 76.531 -10.717 1.520 1.00 0.00 H new ATOM 0 HB3 ASP X 68 74.933 -10.476 2.199 1.00 0.00 H new ATOM 1011 N GLY X 69 75.729 -12.525 -0.346 1.00 0.00 N ATOM 1012 CA GLY X 69 75.299 -12.625 -1.706 1.00 0.00 C ATOM 1013 C GLY X 69 74.500 -11.416 -2.084 1.00 0.00 C ATOM 1014 O GLY X 69 74.886 -10.296 -1.769 1.00 0.00 O ATOM 0 H GLY X 69 76.723 -12.325 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY X 69 76.164 -12.719 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY X 69 74.698 -13.524 -1.840 1.00 0.00 H new ATOM 1018 N GLY X 70 73.403 -11.628 -2.732 1.00 0.00 N ATOM 1019 CA GLY X 70 72.541 -10.546 -3.068 1.00 0.00 C ATOM 1020 C GLY X 70 71.361 -10.548 -2.151 1.00 0.00 C ATOM 1021 O GLY X 70 70.721 -11.591 -1.967 1.00 0.00 O ATOM 0 H GLY X 70 73.082 -12.546 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.077 -9.601 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY X 70 72.211 -10.637 -4.103 1.00 0.00 H new ATOM 1025 N GLY X 71 71.084 -9.445 -1.544 1.00 0.00 N ATOM 1026 CA GLY X 71 69.993 -9.386 -0.657 1.00 0.00 C ATOM 1027 C GLY X 71 69.995 -8.134 0.129 1.00 0.00 C ATOM 1028 O GLY X 71 71.030 -7.444 0.204 1.00 0.00 O ATOM 0 H GLY X 71 71.604 -8.574 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.062 -9.461 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.027 -10.240 0.019 1.00 0.00 H new ATOM 1032 N PRO X 72 68.879 -7.840 0.772 1.00 0.00 N ATOM 1033 CA PRO X 72 68.678 -6.607 1.502 1.00 0.00 C ATOM 1034 C PRO X 72 69.659 -6.438 2.632 1.00 0.00 C ATOM 1035 O PRO X 72 70.233 -5.391 2.790 1.00 0.00 O ATOM 1036 CB PRO X 72 67.256 -6.703 2.036 1.00 0.00 C ATOM 1037 CG PRO X 72 66.865 -8.135 1.909 1.00 0.00 C ATOM 1038 CD PRO X 72 67.704 -8.718 0.825 1.00 0.00 C ATOM 0 HA PRO X 72 68.833 -5.741 0.859 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.206 -6.376 3.075 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.582 -6.063 1.467 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.026 -8.664 2.848 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.806 -8.226 1.669 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.985 -9.747 1.048 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.173 -8.732 -0.127 1.00 0.00 H new ATOM 1046 N GLU X 73 69.886 -7.494 3.375 1.00 0.00 N ATOM 1047 CA GLU X 73 70.791 -7.461 4.510 1.00 0.00 C ATOM 1048 C GLU X 73 72.259 -7.468 4.080 1.00 0.00 C ATOM 1049 O GLU X 73 73.154 -7.461 4.926 1.00 0.00 O ATOM 1050 CB GLU X 73 70.505 -8.614 5.445 1.00 0.00 C ATOM 1051 CG GLU X 73 69.063 -8.685 5.897 1.00 0.00 C ATOM 1052 CD GLU X 73 68.792 -9.917 6.715 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.747 -11.011 6.141 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.619 -9.822 7.942 1.00 0.00 O ATOM 0 H GLU X 73 69.451 -8.403 3.214 1.00 0.00 H new ATOM 0 HA GLU X 73 70.616 -6.523 5.037 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.767 -9.548 4.948 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.148 -8.528 6.321 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.823 -7.799 6.485 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.408 -8.677 5.025 1.00 0.00 H new ATOM 1061 N GLY X 74 72.506 -7.485 2.790 1.00 0.00 N ATOM 1062 CA GLY X 74 73.869 -7.447 2.337 1.00 0.00 C ATOM 1063 C GLY X 74 74.240 -6.153 1.672 1.00 0.00 C ATOM 1064 O GLY X 74 75.321 -5.629 1.916 1.00 0.00 O ATOM 0 H GLY X 74 71.799 -7.524 2.056 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.531 -7.613 3.187 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.035 -8.267 1.638 1.00 0.00 H new ATOM 1068 N ILE X 75 73.344 -5.609 0.870 1.00 0.00 N ATOM 1069 CA ILE X 75 73.582 -4.308 0.225 1.00 0.00 C ATOM 1070 C ILE X 75 73.783 -3.189 1.257 1.00 0.00 C ATOM 1071 O ILE X 75 74.524 -2.245 1.028 1.00 0.00 O ATOM 1072 CB ILE X 75 72.476 -3.945 -0.800 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.091 -4.301 -0.242 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.739 -4.631 -2.116 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.918 -4.049 -1.166 1.00 0.00 C ATOM 0 H ILE X 75 72.446 -6.036 0.643 1.00 0.00 H new ATOM 0 HA ILE X 75 74.511 -4.406 -0.336 1.00 0.00 H new ATOM 0 HB ILE X 75 72.493 -2.870 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.092 -5.356 0.032 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.934 -3.733 0.675 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.955 -4.368 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.705 -4.311 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.747 -5.711 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.993 -4.337 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.878 -2.990 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.038 -4.638 -2.075 1.00 0.00 H new ATOM 1087 N VAL X 76 73.153 -3.343 2.411 1.00 0.00 N ATOM 1088 CA VAL X 76 73.323 -2.419 3.539 1.00 0.00 C ATOM 1089 C VAL X 76 74.730 -2.471 4.075 1.00 0.00 C ATOM 1090 O VAL X 76 75.378 -1.452 4.327 1.00 0.00 O ATOM 1091 CB VAL X 76 72.308 -2.769 4.656 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.096 -4.222 4.816 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.523 -2.065 5.985 1.00 0.00 C ATOM 0 H VAL X 76 72.508 -4.110 2.600 1.00 0.00 H new ATOM 0 HA VAL X 76 73.137 -1.404 3.187 1.00 0.00 H new ATOM 0 HB VAL X 76 71.375 -2.348 4.281 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.375 -4.399 5.614 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.715 -4.639 3.884 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.041 -4.702 5.069 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.758 -2.383 6.693 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.508 -2.320 6.377 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.458 -0.987 5.840 1.00 0.00 H new ATOM 1103 N LYS X 77 75.176 -3.658 4.225 1.00 0.00 N ATOM 1104 CA LYS X 77 76.502 -3.959 4.703 1.00 0.00 C ATOM 1105 C LYS X 77 77.552 -3.412 3.710 1.00 0.00 C ATOM 1106 O LYS X 77 78.577 -2.884 4.105 1.00 0.00 O ATOM 1107 CB LYS X 77 76.598 -5.463 4.881 1.00 0.00 C ATOM 1108 CG LYS X 77 77.867 -5.983 5.521 1.00 0.00 C ATOM 1109 CD LYS X 77 77.787 -7.498 5.688 1.00 0.00 C ATOM 1110 CE LYS X 77 76.677 -7.905 6.650 1.00 0.00 C ATOM 1111 NZ LYS X 77 76.569 -9.369 6.820 1.00 0.00 N ATOM 0 H LYS X 77 74.622 -4.488 4.016 1.00 0.00 H new ATOM 0 HA LYS X 77 76.700 -3.480 5.662 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.751 -5.791 5.484 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.492 -5.931 3.902 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.728 -5.722 4.905 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.015 -5.510 6.492 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.614 -7.962 4.717 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.742 -7.874 6.055 1.00 0.00 H new ATOM 0 HE2 LYS X 77 76.858 -7.444 7.621 1.00 0.00 H new ATOM 0 HE3 LYS X 77 75.726 -7.516 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 75.894 -9.581 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 76.236 -9.798 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 77.501 -9.760 7.065 1.00 0.00 H new ATOM 1125 N GLU X 78 77.245 -3.509 2.436 1.00 0.00 N ATOM 1126 CA GLU X 78 78.068 -2.935 1.372 1.00 0.00 C ATOM 1127 C GLU X 78 78.179 -1.423 1.519 1.00 0.00 C ATOM 1128 O GLU X 78 79.274 -0.837 1.390 1.00 0.00 O ATOM 1129 CB GLU X 78 77.470 -3.321 0.032 1.00 0.00 C ATOM 1130 CG GLU X 78 77.732 -4.763 -0.281 1.00 0.00 C ATOM 1131 CD GLU X 78 77.159 -5.213 -1.574 1.00 0.00 C ATOM 1132 OE1 GLU X 78 77.832 -5.074 -2.620 1.00 0.00 O ATOM 1133 OE2 GLU X 78 76.068 -5.784 -1.566 1.00 0.00 O ATOM 0 H GLU X 78 76.412 -3.991 2.097 1.00 0.00 H new ATOM 0 HA GLU X 78 79.081 -3.331 1.440 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.396 -3.138 0.044 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.892 -2.693 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.809 -4.932 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU X 78 77.323 -5.378 0.520 1.00 0.00 H new ATOM 1140 N ILE X 79 77.057 -0.812 1.807 1.00 0.00 N ATOM 1141 CA ILE X 79 76.981 0.625 2.063 1.00 0.00 C ATOM 1142 C ILE X 79 77.826 1.036 3.276 1.00 0.00 C ATOM 1143 O ILE X 79 78.576 2.014 3.201 1.00 0.00 O ATOM 1144 CB ILE X 79 75.515 1.112 2.286 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.651 0.897 1.032 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.472 2.568 2.740 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.129 1.638 -0.198 1.00 0.00 C ATOM 0 H ILE X 79 76.159 -1.291 1.874 1.00 0.00 H new ATOM 0 HA ILE X 79 77.379 1.102 1.167 1.00 0.00 H new ATOM 0 HB ILE X 79 75.092 0.504 3.086 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.619 -0.169 0.808 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.630 1.208 1.253 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.436 2.873 2.886 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.016 2.673 3.679 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.933 3.200 1.981 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.460 1.427 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.134 2.710 0.002 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.138 1.311 -0.450 1.00 0.00 H new ATOM 1159 N LYS X 80 77.727 0.294 4.379 1.00 0.00 N ATOM 1160 CA LYS X 80 78.462 0.668 5.588 1.00 0.00 C ATOM 1161 C LYS X 80 79.964 0.606 5.353 1.00 0.00 C ATOM 1162 O LYS X 80 80.698 1.462 5.832 1.00 0.00 O ATOM 1163 CB LYS X 80 78.050 -0.152 6.834 1.00 0.00 C ATOM 1164 CG LYS X 80 78.442 -1.615 6.814 1.00 0.00 C ATOM 1165 CD LYS X 80 77.945 -2.357 8.047 1.00 0.00 C ATOM 1166 CE LYS X 80 78.593 -1.829 9.315 1.00 0.00 C ATOM 1167 NZ LYS X 80 78.164 -2.567 10.509 1.00 0.00 N ATOM 0 H LYS X 80 77.160 -0.550 4.462 1.00 0.00 H new ATOM 0 HA LYS X 80 78.189 1.700 5.807 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.493 0.312 7.715 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.968 -0.086 6.949 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.036 -2.087 5.919 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.527 -1.699 6.754 1.00 0.00 H new ATOM 0 HD2 LYS X 80 76.862 -2.256 8.122 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.160 -3.421 7.944 1.00 0.00 H new ATOM 0 HE2 LYS X 80 79.677 -1.894 9.221 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.346 -0.774 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 78.632 -2.171 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 77.133 -2.484 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 78.423 -3.569 10.409 1.00 0.00 H new ATOM 1181 N GLU X 81 80.397 -0.370 4.562 1.00 0.00 N ATOM 1182 CA GLU X 81 81.800 -0.520 4.228 1.00 0.00 C ATOM 1183 C GLU X 81 82.292 0.671 3.421 1.00 0.00 C ATOM 1184 O GLU X 81 83.368 1.193 3.670 1.00 0.00 O ATOM 1185 CB GLU X 81 82.048 -1.808 3.458 1.00 0.00 C ATOM 1186 CG GLU X 81 81.712 -3.069 4.226 1.00 0.00 C ATOM 1187 CD GLU X 81 82.017 -4.307 3.437 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.184 -4.768 3.451 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.121 -4.858 2.792 1.00 0.00 O ATOM 0 H GLU X 81 79.788 -1.071 4.140 1.00 0.00 H new ATOM 0 HA GLU X 81 82.358 -0.566 5.163 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.460 -1.788 2.541 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.097 -1.845 3.163 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.276 -3.086 5.159 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.655 -3.060 4.492 1.00 0.00 H new ATOM 1196 N TRP X 82 81.475 1.116 2.488 1.00 0.00 N ATOM 1197 CA TRP X 82 81.812 2.246 1.630 1.00 0.00 C ATOM 1198 C TRP X 82 81.850 3.515 2.448 1.00 0.00 C ATOM 1199 O TRP X 82 82.772 4.331 2.333 1.00 0.00 O ATOM 1200 CB TRP X 82 80.746 2.419 0.583 1.00 0.00 C ATOM 1201 CG TRP X 82 81.106 3.384 -0.506 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.866 3.121 -1.603 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.707 4.756 -0.611 1.00 0.00 C ATOM 1204 NE1 TRP X 82 81.944 4.233 -2.401 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.247 5.253 -1.811 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.943 5.606 0.191 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.042 6.559 -2.234 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.746 6.903 -0.224 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.290 7.370 -1.428 1.00 0.00 C ATOM 0 H TRP X 82 80.559 0.709 2.299 1.00 0.00 H new ATOM 0 HA TRP X 82 82.782 2.055 1.170 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.530 1.448 0.136 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.830 2.759 1.066 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.339 2.174 -1.815 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.441 4.291 -3.290 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.516 5.253 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.459 6.921 -3.162 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.162 7.573 0.389 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.112 8.393 -1.726 1.00 0.00 H new ATOM 1220 N ARG X 83 80.837 3.664 3.278 1.00 0.00 N ATOM 1221 CA ARG X 83 80.664 4.829 4.100 1.00 0.00 C ATOM 1222 C ARG X 83 81.872 4.948 5.032 1.00 0.00 C ATOM 1223 O ARG X 83 82.458 6.017 5.159 1.00 0.00 O ATOM 1224 CB ARG X 83 79.405 4.676 4.936 1.00 0.00 C ATOM 1225 CG ARG X 83 78.767 5.963 5.351 1.00 0.00 C ATOM 1226 CD ARG X 83 77.955 6.666 4.258 1.00 0.00 C ATOM 1227 NE ARG X 83 77.339 7.876 4.827 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.963 8.995 4.188 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.978 9.083 2.868 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.520 10.017 4.895 1.00 0.00 N ATOM 0 H ARG X 83 80.104 2.965 3.397 1.00 0.00 H new ATOM 0 HA ARG X 83 80.578 5.718 3.475 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.679 4.093 4.370 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.647 4.102 5.830 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.112 5.769 6.201 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.546 6.642 5.697 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.600 6.930 3.420 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.186 5.998 3.871 1.00 0.00 H new ATOM 0 HE ARG X 83 77.178 7.862 5.834 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.281 8.287 2.307 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.686 9.947 2.411 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.467 9.949 5.911 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.230 10.875 4.425 1.00 0.00 H new ATOM 1244 N ALA X 84 82.257 3.827 5.631 1.00 0.00 N ATOM 1245 CA ALA X 84 83.408 3.757 6.526 1.00 0.00 C ATOM 1246 C ALA X 84 84.718 3.998 5.765 1.00 0.00 C ATOM 1247 O ALA X 84 85.644 4.620 6.287 1.00 0.00 O ATOM 1248 CB ALA X 84 83.446 2.411 7.238 1.00 0.00 C ATOM 0 H ALA X 84 81.777 2.935 5.509 1.00 0.00 H new ATOM 0 HA ALA X 84 83.303 4.545 7.271 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.310 2.375 7.902 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.534 2.282 7.822 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.521 1.611 6.501 1.00 0.00 H new ATOM 1254 N ALA X 85 84.797 3.475 4.546 1.00 0.00 N ATOM 1255 CA ALA X 85 85.967 3.654 3.686 1.00 0.00 C ATOM 1256 C ALA X 85 86.170 5.119 3.354 1.00 0.00 C ATOM 1257 O ALA X 85 87.285 5.642 3.444 1.00 0.00 O ATOM 1258 CB ALA X 85 85.830 2.834 2.408 1.00 0.00 C ATOM 0 H ALA X 85 84.055 2.916 4.125 1.00 0.00 H new ATOM 0 HA ALA X 85 86.842 3.299 4.230 1.00 0.00 H new ATOM 0 HB1 ALA X 85 86.711 2.983 1.784 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.739 1.778 2.661 1.00 0.00 H new ATOM 0 HB3 ALA X 85 84.942 3.154 1.864 1.00 0.00 H new ATOM 1264 N ASN X 86 85.092 5.779 2.997 1.00 0.00 N ATOM 1265 CA ASN X 86 85.129 7.196 2.668 1.00 0.00 C ATOM 1266 C ASN X 86 85.395 8.007 3.938 1.00 0.00 C ATOM 1267 O ASN X 86 86.182 8.958 3.948 1.00 0.00 O ATOM 1268 CB ASN X 86 83.786 7.635 2.077 1.00 0.00 C ATOM 1269 CG ASN X 86 83.822 9.050 1.526 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.707 10.016 2.261 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.871 9.177 0.237 1.00 0.00 N ATOM 0 H ASN X 86 84.166 5.356 2.925 1.00 0.00 H new ATOM 0 HA ASN X 86 85.921 7.367 1.939 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.502 6.947 1.281 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.016 7.568 2.846 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.813 10.103 -0.187 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.968 8.351 -0.354 1.00 0.00 H new ATOM 1278 N GLY X 87 84.751 7.601 5.010 1.00 0.00 N ATOM 1279 CA GLY X 87 84.872 8.292 6.269 1.00 0.00 C ATOM 1280 C GLY X 87 83.624 9.087 6.565 1.00 0.00 C ATOM 1281 O GLY X 87 83.664 10.116 7.250 1.00 0.00 O ATOM 0 H GLY X 87 84.134 6.789 5.031 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.049 7.573 7.069 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.735 8.957 6.243 1.00 0.00 H new ATOM 1285 N LYS X 88 82.512 8.614 6.054 1.00 0.00 N ATOM 1286 CA LYS X 88 81.271 9.252 6.191 1.00 0.00 C ATOM 1287 C LYS X 88 80.474 8.571 7.295 1.00 0.00 C ATOM 1288 O LYS X 88 80.674 7.377 7.551 1.00 0.00 O ATOM 1289 CB LYS X 88 80.543 9.128 4.872 1.00 0.00 C ATOM 1290 CG LYS X 88 81.036 10.032 3.759 1.00 0.00 C ATOM 1291 CD LYS X 88 80.291 9.753 2.455 1.00 0.00 C ATOM 1292 CE LYS X 88 80.794 10.618 1.290 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.589 12.068 1.504 1.00 0.00 N ATOM 0 H LYS X 88 82.469 7.747 5.519 1.00 0.00 H new ATOM 0 HA LYS X 88 81.399 10.302 6.453 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.616 8.094 4.534 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.486 9.334 5.041 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.898 11.075 4.045 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.105 9.881 3.610 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.403 8.700 2.195 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.226 9.934 2.603 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.856 10.427 1.138 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.282 10.317 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.918 12.592 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.578 12.257 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.127 12.375 2.339 1.00 0.00 H new ATOM 1307 N PRO X 89 79.596 9.316 7.978 1.00 0.00 N ATOM 1308 CA PRO X 89 78.724 8.773 9.034 1.00 0.00 C ATOM 1309 C PRO X 89 77.825 7.649 8.518 1.00 0.00 C ATOM 1310 O PRO X 89 77.136 7.805 7.500 1.00 0.00 O ATOM 1311 CB PRO X 89 77.870 9.977 9.464 1.00 0.00 C ATOM 1312 CG PRO X 89 78.043 10.990 8.386 1.00 0.00 C ATOM 1313 CD PRO X 89 79.406 10.769 7.823 1.00 0.00 C ATOM 0 HA PRO X 89 79.303 8.336 9.847 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.823 9.696 9.575 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.199 10.368 10.427 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.280 10.873 7.616 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.944 12.001 8.782 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.466 11.075 6.779 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.163 11.335 8.365 1.00 0.00 H new ATOM 1321 N GLY X 90 77.844 6.536 9.214 1.00 0.00 N ATOM 1322 CA GLY X 90 77.080 5.384 8.813 1.00 0.00 C ATOM 1323 C GLY X 90 75.730 5.313 9.480 1.00 0.00 C ATOM 1324 O GLY X 90 75.145 6.346 9.840 1.00 0.00 O ATOM 0 H GLY X 90 78.386 6.407 10.068 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.945 5.403 7.732 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.644 4.481 9.048 1.00 0.00 H new ATOM 1328 N PHE X 91 75.263 4.100 9.682 1.00 0.00 N ATOM 1329 CA PHE X 91 73.945 3.852 10.234 1.00 0.00 C ATOM 1330 C PHE X 91 73.975 4.031 11.725 1.00 0.00 C ATOM 1331 O PHE X 91 75.044 3.955 12.350 1.00 0.00 O ATOM 1332 CB PHE X 91 73.488 2.423 9.929 1.00 0.00 C ATOM 1333 CG PHE X 91 73.567 2.044 8.489 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.811 2.697 7.539 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.397 1.014 8.086 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.891 2.333 6.218 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.474 0.652 6.764 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.722 1.312 5.831 1.00 0.00 C ATOM 0 H PHE X 91 75.788 3.252 9.467 1.00 0.00 H new ATOM 0 HA PHE X 91 73.252 4.560 9.780 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.096 1.729 10.509 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.459 2.304 10.267 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.152 3.500 7.836 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.991 0.489 8.819 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.297 2.852 5.480 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.127 -0.153 6.461 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.782 1.030 4.790 1.00 0.00 H new ATOM 1348 N LYS X 92 72.837 4.245 12.303 1.00 0.00 N ATOM 1349 CA LYS X 92 72.735 4.412 13.686 1.00 0.00 C ATOM 1350 C LYS X 92 72.299 3.109 14.340 1.00 0.00 C ATOM 1351 O LYS X 92 72.020 2.104 13.669 1.00 0.00 O ATOM 1352 CB LYS X 92 71.707 5.476 13.990 1.00 0.00 C ATOM 1353 CG LYS X 92 70.290 5.094 13.642 1.00 0.00 C ATOM 1354 CD LYS X 92 69.255 6.069 14.209 1.00 0.00 C ATOM 1355 CE LYS X 92 69.236 6.086 15.733 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.155 6.939 16.259 1.00 0.00 N ATOM 0 H LYS X 92 71.949 4.307 11.805 1.00 0.00 H new ATOM 0 HA LYS X 92 73.709 4.708 14.077 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.755 5.717 15.052 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.970 6.383 13.446 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.186 5.051 12.558 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.085 4.093 14.021 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.468 7.073 13.841 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.266 5.797 13.840 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.111 5.070 16.106 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.196 6.446 16.104 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.176 6.924 17.299 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.288 7.915 15.924 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.237 6.581 15.926 1.00 0.00 H new ATOM 1370 N GLN X 93 72.247 3.137 15.625 1.00 0.00 N ATOM 1371 CA GLN X 93 71.766 2.075 16.412 1.00 0.00 C ATOM 1372 C GLN X 93 70.484 2.508 17.068 1.00 0.00 C ATOM 1373 O GLN X 93 70.345 3.674 17.458 1.00 0.00 O ATOM 1374 CB GLN X 93 72.782 1.752 17.452 1.00 0.00 C ATOM 1375 CG GLN X 93 74.013 1.041 16.929 1.00 0.00 C ATOM 1376 CD GLN X 93 73.683 -0.292 16.280 1.00 0.00 C ATOM 1377 OE1 GLN X 93 73.656 -1.325 16.948 1.00 0.00 O ATOM 1378 NE2 GLN X 93 73.443 -0.284 14.985 1.00 0.00 N ATOM 0 H GLN X 93 72.554 3.940 16.173 1.00 0.00 H new ATOM 0 HA GLN X 93 71.583 1.193 15.798 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.092 2.677 17.939 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.316 1.130 18.216 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.517 1.680 16.204 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.711 0.879 17.750 1.00 0.00 H new ATOM 0 HE21 GLN X 93 73.475 0.593 14.466 1.00 0.00 H new ATOM 0 HE22 GLN X 93 73.225 -1.155 14.501 1.00 0.00 H new ATOM 1387 N GLY X 94 69.570 1.613 17.157 1.00 0.00 N ATOM 1388 CA GLY X 94 68.312 1.889 17.749 1.00 0.00 C ATOM 1389 C GLY X 94 67.242 1.174 16.988 1.00 0.00 C ATOM 1390 O GLY X 94 66.098 1.684 16.898 1.00 0.00 O ATOM 1391 OXT GLY X 94 67.555 0.112 16.412 1.00 0.00 O ATOM 0 H GLY X 94 69.675 0.657 16.817 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.309 1.569 18.791 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.122 2.962 17.745 1.00 0.00 H new TER 1395 GLY X 94