USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 615 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 -172:sc= 1.17 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.455 K(o=0.72,f=-3.7) USER MOD Single : X 4 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.154) USER MOD Single : X 5 ASN : amide:sc= -0.0919 K(o=-0.092,f=-1.3!) 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 180:sc= 0.475 USER MOD Single : X 17 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.2) USER MOD Single : X 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0142) USER MOD Single : X 24 LYS NZ :NH3+ -162:sc= 1.05 (180deg=0.0534) USER MOD Single : X 26 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : X 30 THR OG1 : rot -163:sc= -0.561 USER MOD Single : X 43 LYS NZ :NH3+ -114:sc= 0.452 (180deg=-0.111) USER MOD Single : X 45 THR OG1 : rot -93:sc= 1.12 USER MOD Single : X 47 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.3!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.00773 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -164:sc= -0.036 (180deg=-0.238) USER MOD Single : X 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 86 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.4!) USER MOD Single : X 88 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.13) USER MOD Single : X 92 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.23) USER MOD Single : X 93 GLN :FLIP amide:sc= -0.155 F(o=-0.75,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.811 4.773 6.425 1.00 0.00 N ATOM 17 CA LEU X 3 61.745 5.542 5.645 1.00 0.00 C ATOM 18 C LEU X 3 62.129 6.796 6.381 1.00 0.00 C ATOM 19 O LEU X 3 61.267 7.527 6.889 1.00 0.00 O ATOM 20 CB LEU X 3 61.165 5.896 4.274 1.00 0.00 C ATOM 21 CG LEU X 3 60.646 4.723 3.431 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.298 5.171 2.011 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.647 3.583 3.415 1.00 0.00 C ATOM 0 HA LEU X 3 62.634 4.931 5.489 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.346 6.600 4.421 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.933 6.415 3.701 1.00 0.00 H new ATOM 0 HG LEU X 3 59.729 4.359 3.895 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.933 4.318 1.439 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.525 5.938 2.051 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.187 5.577 1.529 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.256 2.764 2.811 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.588 3.931 2.989 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.817 3.234 4.433 1.00 0.00 H new ATOM 35 N LYS X 4 63.405 7.023 6.477 1.00 0.00 N ATOM 36 CA LYS X 4 63.942 8.192 7.132 1.00 0.00 C ATOM 37 C LYS X 4 64.220 9.235 6.065 1.00 0.00 C ATOM 38 O LYS X 4 63.724 9.124 4.947 1.00 0.00 O ATOM 39 CB LYS X 4 65.259 7.848 7.855 1.00 0.00 C ATOM 40 CG LYS X 4 65.285 6.543 8.655 1.00 0.00 C ATOM 41 CD LYS X 4 64.048 6.321 9.470 1.00 0.00 C ATOM 42 CE LYS X 4 64.307 5.307 10.569 1.00 0.00 C ATOM 43 NZ LYS X 4 63.064 4.736 11.137 1.00 0.00 N ATOM 0 H LYS X 4 64.117 6.397 6.100 1.00 0.00 H new ATOM 0 HA LYS X 4 63.229 8.562 7.869 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.055 7.807 7.111 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.499 8.667 8.533 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.414 5.707 7.968 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.151 6.548 9.317 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.720 7.264 9.908 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.241 5.970 8.827 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.923 4.500 10.173 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.879 5.782 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.241 4.422 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.317 5.460 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.760 3.925 10.561 1.00 0.00 H new ATOM 57 N ASN X 5 64.966 10.248 6.387 1.00 0.00 N ATOM 58 CA ASN X 5 65.343 11.212 5.376 1.00 0.00 C ATOM 59 C ASN X 5 66.806 11.103 5.042 1.00 0.00 C ATOM 60 O ASN X 5 67.193 11.257 3.880 1.00 0.00 O ATOM 61 CB ASN X 5 64.940 12.649 5.729 1.00 0.00 C ATOM 62 CG ASN X 5 63.441 12.878 5.641 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.740 12.239 4.841 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.942 13.784 6.437 1.00 0.00 N ATOM 0 H ASN X 5 65.325 10.435 7.323 1.00 0.00 H new ATOM 0 HA ASN X 5 64.774 10.961 4.481 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.279 12.879 6.739 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.449 13.340 5.057 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.943 13.988 6.415 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.551 14.288 7.081 1.00 0.00 H new ATOM 71 N SER X 6 67.612 10.771 6.036 1.00 0.00 N ATOM 72 CA SER X 6 69.037 10.630 5.844 1.00 0.00 C ATOM 73 C SER X 6 69.508 9.274 6.356 1.00 0.00 C ATOM 74 O SER X 6 68.789 8.598 7.108 1.00 0.00 O ATOM 75 CB SER X 6 69.791 11.757 6.550 1.00 0.00 C ATOM 76 OG SER X 6 69.487 11.780 7.935 1.00 0.00 O ATOM 0 H SER X 6 67.296 10.594 6.990 1.00 0.00 H new ATOM 0 HA SER X 6 69.248 10.693 4.776 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.864 11.624 6.411 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.527 12.714 6.100 1.00 0.00 H new ATOM 0 HG SER X 6 69.982 12.508 8.366 1.00 0.00 H new ATOM 82 N ILE X 7 70.736 8.910 5.990 1.00 0.00 N ATOM 83 CA ILE X 7 71.355 7.625 6.359 1.00 0.00 C ATOM 84 C ILE X 7 71.570 7.548 7.886 1.00 0.00 C ATOM 85 O ILE X 7 71.680 6.477 8.463 1.00 0.00 O ATOM 86 CB ILE X 7 72.751 7.485 5.643 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.292 6.052 5.684 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.786 8.466 6.192 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.516 5.116 4.811 1.00 0.00 C ATOM 0 H ILE X 7 71.342 9.502 5.422 1.00 0.00 H new ATOM 0 HA ILE X 7 70.690 6.819 6.047 1.00 0.00 H new ATOM 0 HB ILE X 7 72.572 7.739 4.598 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.336 6.053 5.371 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.268 5.688 6.711 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.731 8.330 5.666 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.433 9.487 6.046 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.933 8.282 7.256 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.944 4.116 4.879 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.477 5.090 5.139 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.562 5.460 3.778 1.00 0.00 H new ATOM 101 N SER X 8 71.535 8.695 8.521 1.00 0.00 N ATOM 102 CA SER X 8 71.891 8.824 9.893 1.00 0.00 C ATOM 103 C SER X 8 70.739 8.479 10.833 1.00 0.00 C ATOM 104 O SER X 8 70.936 8.368 12.042 1.00 0.00 O ATOM 105 CB SER X 8 72.422 10.227 10.119 1.00 0.00 C ATOM 106 OG SER X 8 73.506 10.474 9.224 1.00 0.00 O ATOM 0 H SER X 8 71.253 9.572 8.083 1.00 0.00 H new ATOM 0 HA SER X 8 72.671 8.100 10.130 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.629 10.958 9.958 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.755 10.340 11.151 1.00 0.00 H new ATOM 0 HG SER X 8 73.849 11.381 9.368 1.00 0.00 H new ATOM 112 N ASP X 9 69.540 8.304 10.299 1.00 0.00 N ATOM 113 CA ASP X 9 68.441 7.870 11.158 1.00 0.00 C ATOM 114 C ASP X 9 68.173 6.414 10.892 1.00 0.00 C ATOM 115 O ASP X 9 67.339 5.774 11.533 1.00 0.00 O ATOM 116 CB ASP X 9 67.156 8.652 10.935 1.00 0.00 C ATOM 117 CG ASP X 9 66.195 8.491 12.103 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.591 8.800 13.260 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.045 8.083 11.906 1.00 0.00 O ATOM 0 H ASP X 9 69.304 8.448 9.317 1.00 0.00 H new ATOM 0 HA ASP X 9 68.747 8.047 12.189 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.390 9.708 10.798 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.676 8.311 10.018 1.00 0.00 H new ATOM 124 N TYR X 10 68.926 5.878 9.981 1.00 0.00 N ATOM 125 CA TYR X 10 68.735 4.533 9.552 1.00 0.00 C ATOM 126 C TYR X 10 69.551 3.635 10.382 1.00 0.00 C ATOM 127 O TYR X 10 70.746 3.800 10.471 1.00 0.00 O ATOM 128 CB TYR X 10 69.088 4.323 8.059 1.00 0.00 C ATOM 129 CG TYR X 10 67.951 4.576 7.087 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.956 3.624 6.919 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.873 5.738 6.333 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.910 3.819 6.047 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.824 5.943 5.443 1.00 0.00 C ATOM 134 CZ TYR X 10 65.846 4.971 5.314 1.00 0.00 C ATOM 135 OH TYR X 10 64.780 5.177 4.484 1.00 0.00 O ATOM 0 H TYR X 10 69.691 6.365 9.515 1.00 0.00 H new ATOM 0 HA TYR X 10 67.675 4.305 9.666 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.918 4.981 7.802 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.439 3.300 7.925 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.004 2.707 7.487 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.637 6.494 6.439 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.143 3.066 5.942 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.773 6.850 4.859 1.00 0.00 H new ATOM 0 HH TYR X 10 64.939 5.976 3.939 1.00 0.00 H new ATOM 145 N THR X 11 68.912 2.740 11.044 1.00 0.00 N ATOM 146 CA THR X 11 69.607 1.726 11.741 1.00 0.00 C ATOM 147 C THR X 11 69.913 0.670 10.709 1.00 0.00 C ATOM 148 O THR X 11 69.406 0.766 9.581 1.00 0.00 O ATOM 149 CB THR X 11 68.728 1.138 12.855 1.00 0.00 C ATOM 150 OG1 THR X 11 67.546 0.579 12.288 1.00 0.00 O ATOM 151 CG2 THR X 11 68.322 2.208 13.838 1.00 0.00 C ATOM 0 H THR X 11 67.896 2.691 11.117 1.00 0.00 H new ATOM 0 HA THR X 11 70.510 2.109 12.216 1.00 0.00 H new ATOM 0 HB THR X 11 69.305 0.371 13.372 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.988 0.203 13.000 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.700 1.769 14.618 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.213 2.646 14.288 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.759 2.984 13.319 1.00 0.00 H new ATOM 159 N GLU X 12 70.716 -0.301 11.032 1.00 0.00 N ATOM 160 CA GLU X 12 70.986 -1.347 10.078 1.00 0.00 C ATOM 161 C GLU X 12 69.695 -2.053 9.644 1.00 0.00 C ATOM 162 O GLU X 12 69.436 -2.174 8.463 1.00 0.00 O ATOM 163 CB GLU X 12 72.070 -2.309 10.565 1.00 0.00 C ATOM 164 CG GLU X 12 71.928 -2.755 12.006 1.00 0.00 C ATOM 165 CD GLU X 12 72.984 -3.748 12.389 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.085 -3.328 12.800 1.00 0.00 O ATOM 167 OE2 GLU X 12 72.743 -4.966 12.279 1.00 0.00 O ATOM 0 H GLU X 12 71.190 -0.395 11.930 1.00 0.00 H new ATOM 0 HA GLU X 12 71.397 -0.880 9.183 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.066 -3.191 9.925 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.042 -1.830 10.442 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.990 -1.887 12.663 1.00 0.00 H new ATOM 0 HG3 GLU X 12 70.943 -3.197 12.154 1.00 0.00 H new ATOM 174 N ALA X 13 68.848 -2.396 10.596 1.00 0.00 N ATOM 175 CA ALA X 13 67.582 -3.059 10.291 1.00 0.00 C ATOM 176 C ALA X 13 66.592 -2.112 9.594 1.00 0.00 C ATOM 177 O ALA X 13 65.863 -2.535 8.710 1.00 0.00 O ATOM 178 CB ALA X 13 66.970 -3.677 11.533 1.00 0.00 C ATOM 0 H ALA X 13 69.008 -2.229 11.589 1.00 0.00 H new ATOM 0 HA ALA X 13 67.803 -3.865 9.592 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.029 -4.162 11.272 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.656 -4.415 11.948 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.784 -2.898 12.273 1.00 0.00 H new ATOM 184 N GLU X 14 66.544 -0.842 9.992 1.00 0.00 N ATOM 185 CA GLU X 14 65.676 0.120 9.295 1.00 0.00 C ATOM 186 C GLU X 14 66.135 0.318 7.879 1.00 0.00 C ATOM 187 O GLU X 14 65.325 0.520 6.971 1.00 0.00 O ATOM 188 CB GLU X 14 65.582 1.465 10.021 1.00 0.00 C ATOM 189 CG GLU X 14 64.571 1.479 11.152 1.00 0.00 C ATOM 190 CD GLU X 14 63.158 1.309 10.638 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.579 2.301 10.150 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.610 0.195 10.702 1.00 0.00 O ATOM 0 H GLU X 14 67.078 -0.457 10.771 1.00 0.00 H new ATOM 0 HA GLU X 14 64.674 -0.308 9.289 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.563 1.722 10.420 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.318 2.239 9.300 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.801 0.680 11.856 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.649 2.418 11.699 1.00 0.00 H new ATOM 199 N PHE X 15 67.425 0.231 7.680 1.00 0.00 N ATOM 200 CA PHE X 15 67.969 0.353 6.375 1.00 0.00 C ATOM 201 C PHE X 15 67.622 -0.881 5.579 1.00 0.00 C ATOM 202 O PHE X 15 67.214 -0.774 4.434 1.00 0.00 O ATOM 203 CB PHE X 15 69.473 0.567 6.415 1.00 0.00 C ATOM 204 CG PHE X 15 70.028 1.052 5.120 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.705 2.307 4.649 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.864 0.265 4.374 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.215 2.757 3.461 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.378 0.711 3.185 1.00 0.00 C ATOM 209 CZ PHE X 15 71.050 1.958 2.733 1.00 0.00 C ATOM 0 H PHE X 15 68.112 0.075 8.417 1.00 0.00 H new ATOM 0 HA PHE X 15 67.536 1.230 5.894 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.711 1.287 7.198 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.960 -0.370 6.684 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.044 2.940 5.222 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.122 -0.722 4.728 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.958 3.742 3.100 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.039 0.081 2.608 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.453 2.313 1.796 1.00 0.00 H new ATOM 219 N VAL X 16 67.757 -2.068 6.195 1.00 0.00 N ATOM 220 CA VAL X 16 67.394 -3.303 5.514 1.00 0.00 C ATOM 221 C VAL X 16 65.903 -3.320 5.183 1.00 0.00 C ATOM 222 O VAL X 16 65.500 -3.931 4.222 1.00 0.00 O ATOM 223 CB VAL X 16 67.807 -4.628 6.244 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.211 -4.618 6.748 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.825 -5.091 7.272 1.00 0.00 C ATOM 0 H VAL X 16 68.109 -2.189 7.145 1.00 0.00 H new ATOM 0 HA VAL X 16 67.986 -3.293 4.599 1.00 0.00 H new ATOM 0 HB VAL X 16 67.778 -5.386 5.461 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.427 -5.566 7.241 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.897 -4.479 5.912 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.336 -3.802 7.459 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.185 -6.012 7.730 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.712 -4.325 8.039 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.861 -5.274 6.798 1.00 0.00 H new ATOM 235 N GLN X 17 65.099 -2.635 5.997 1.00 0.00 N ATOM 236 CA GLN X 17 63.690 -2.503 5.775 1.00 0.00 C ATOM 237 C GLN X 17 63.463 -1.782 4.442 1.00 0.00 C ATOM 238 O GLN X 17 62.666 -2.243 3.608 1.00 0.00 O ATOM 239 CB GLN X 17 63.078 -1.755 6.970 1.00 0.00 C ATOM 240 CG GLN X 17 61.577 -1.824 7.070 1.00 0.00 C ATOM 241 CD GLN X 17 60.843 -0.854 6.168 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.324 0.245 5.890 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.686 -1.236 5.721 1.00 0.00 N ATOM 0 H GLN X 17 65.429 -2.156 6.835 1.00 0.00 H new ATOM 0 HA GLN X 17 63.199 -3.474 5.705 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.506 -2.158 7.888 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.374 -0.708 6.913 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.256 -2.838 6.831 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.285 -1.633 8.103 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.320 -2.154 5.973 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.143 -0.618 5.118 1.00 0.00 H new ATOM 252 N LEU X 18 64.210 -0.697 4.235 1.00 0.00 N ATOM 253 CA LEU X 18 64.192 0.051 2.976 1.00 0.00 C ATOM 254 C LEU X 18 64.655 -0.838 1.853 1.00 0.00 C ATOM 255 O LEU X 18 64.022 -0.932 0.827 1.00 0.00 O ATOM 256 CB LEU X 18 65.153 1.235 3.067 1.00 0.00 C ATOM 257 CG LEU X 18 65.456 1.977 1.747 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.270 2.749 1.224 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.665 2.863 1.890 1.00 0.00 C ATOM 0 H LEU X 18 64.844 -0.312 4.935 1.00 0.00 H new ATOM 0 HA LEU X 18 63.176 0.400 2.791 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.743 1.954 3.777 1.00 0.00 H new ATOM 0 HB3 LEU X 18 66.096 0.879 3.483 1.00 0.00 H new ATOM 0 HG LEU X 18 65.677 1.212 1.003 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.543 3.250 0.295 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.443 2.064 1.038 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.966 3.492 1.961 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.856 3.373 0.946 1.00 0.00 H new ATOM 0 HD22 LEU X 18 66.485 3.601 2.672 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.531 2.257 2.156 1.00 0.00 H new ATOM 271 N LEU X 19 65.740 -1.513 2.104 1.00 0.00 N ATOM 272 CA LEU X 19 66.371 -2.426 1.170 1.00 0.00 C ATOM 273 C LEU X 19 65.431 -3.538 0.737 1.00 0.00 C ATOM 274 O LEU X 19 65.428 -3.940 -0.417 1.00 0.00 O ATOM 275 CB LEU X 19 67.569 -2.991 1.849 1.00 0.00 C ATOM 276 CG LEU X 19 68.650 -1.976 2.168 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.858 -2.632 2.688 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.979 -1.112 0.988 1.00 0.00 C ATOM 0 H LEU X 19 66.234 -1.446 2.994 1.00 0.00 H new ATOM 0 HA LEU X 19 66.648 -1.889 0.263 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.253 -3.470 2.776 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.995 -3.770 1.217 1.00 0.00 H new ATOM 0 HG LEU X 19 68.253 -1.324 2.946 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.615 -1.879 2.908 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.613 -3.176 3.600 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.244 -3.328 1.943 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.758 -0.401 1.264 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.332 -1.736 0.167 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.087 -0.570 0.674 1.00 0.00 H new ATOM 290 N LYS X 20 64.621 -4.014 1.665 1.00 0.00 N ATOM 291 CA LYS X 20 63.620 -5.017 1.375 1.00 0.00 C ATOM 292 C LYS X 20 62.505 -4.427 0.541 1.00 0.00 C ATOM 293 O LYS X 20 61.947 -5.100 -0.315 1.00 0.00 O ATOM 294 CB LYS X 20 63.051 -5.625 2.641 1.00 0.00 C ATOM 295 CG LYS X 20 64.023 -6.478 3.427 1.00 0.00 C ATOM 296 CD LYS X 20 63.359 -7.042 4.682 1.00 0.00 C ATOM 297 CE LYS X 20 64.256 -8.029 5.419 1.00 0.00 C ATOM 298 NZ LYS X 20 64.389 -9.314 4.700 1.00 0.00 N ATOM 0 H LYS X 20 64.641 -3.714 2.640 1.00 0.00 H new ATOM 0 HA LYS X 20 64.110 -5.811 0.811 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.692 -4.821 3.284 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.186 -6.233 2.378 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.384 -7.295 2.803 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.892 -5.883 3.706 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.098 -6.222 5.351 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.428 -7.537 4.406 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.243 -7.588 5.554 1.00 0.00 H new ATOM 0 HE3 LYS X 20 63.850 -8.213 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.923 -9.986 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.444 -9.701 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.893 -9.160 3.804 1.00 0.00 H new ATOM 312 N GLU X 21 62.172 -3.179 0.792 1.00 0.00 N ATOM 313 CA GLU X 21 61.172 -2.516 -0.007 1.00 0.00 C ATOM 314 C GLU X 21 61.716 -2.249 -1.403 1.00 0.00 C ATOM 315 O GLU X 21 60.997 -2.368 -2.386 1.00 0.00 O ATOM 316 CB GLU X 21 60.649 -1.239 0.656 1.00 0.00 C ATOM 317 CG GLU X 21 59.880 -1.482 1.951 1.00 0.00 C ATOM 318 CD GLU X 21 58.721 -2.449 1.779 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.680 -2.064 1.229 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.832 -3.619 2.220 1.00 0.00 O ATOM 0 H GLU X 21 62.576 -2.610 1.536 1.00 0.00 H new ATOM 0 HA GLU X 21 60.313 -3.181 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.491 -0.579 0.864 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.000 -0.716 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.563 -1.872 2.705 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.501 -0.531 2.326 1.00 0.00 H new ATOM 327 N ILE X 22 63.001 -1.919 -1.484 1.00 0.00 N ATOM 328 CA ILE X 22 63.660 -1.745 -2.767 1.00 0.00 C ATOM 329 C ILE X 22 63.654 -3.069 -3.535 1.00 0.00 C ATOM 330 O ILE X 22 63.364 -3.095 -4.718 1.00 0.00 O ATOM 331 CB ILE X 22 65.114 -1.237 -2.616 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.138 0.068 -1.822 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.722 -1.015 -3.985 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.519 0.642 -1.611 1.00 0.00 C ATOM 0 H ILE X 22 63.604 -1.767 -0.675 1.00 0.00 H new ATOM 0 HA ILE X 22 63.104 -0.988 -3.320 1.00 0.00 H new ATOM 0 HB ILE X 22 65.696 -1.986 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.526 0.806 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.676 -0.103 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.746 -0.657 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.723 -1.954 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE X 22 65.135 -0.274 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.445 1.567 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.131 -0.075 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.979 0.849 -2.577 1.00 0.00 H new ATOM 346 N GLU X 23 63.918 -4.161 -2.814 1.00 0.00 N ATOM 347 CA GLU X 23 63.884 -5.518 -3.333 1.00 0.00 C ATOM 348 C GLU X 23 62.497 -5.785 -3.907 1.00 0.00 C ATOM 349 O GLU X 23 62.347 -6.203 -5.053 1.00 0.00 O ATOM 350 CB GLU X 23 64.141 -6.417 -2.112 1.00 0.00 C ATOM 351 CG GLU X 23 63.505 -7.789 -2.113 1.00 0.00 C ATOM 352 CD GLU X 23 64.375 -8.881 -2.688 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.202 -9.450 -1.946 1.00 0.00 O ATOM 354 OE2 GLU X 23 64.225 -9.214 -3.871 1.00 0.00 O ATOM 0 H GLU X 23 64.168 -4.118 -1.826 1.00 0.00 H new ATOM 0 HA GLU X 23 64.616 -5.695 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.219 -6.545 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.796 -5.886 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU X 23 63.240 -8.054 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU X 23 62.576 -7.745 -2.681 1.00 0.00 H new ATOM 361 N LYS X 24 61.507 -5.427 -3.122 1.00 0.00 N ATOM 362 CA LYS X 24 60.121 -5.625 -3.431 1.00 0.00 C ATOM 363 C LYS X 24 59.721 -4.871 -4.700 1.00 0.00 C ATOM 364 O LYS X 24 59.212 -5.466 -5.645 1.00 0.00 O ATOM 365 CB LYS X 24 59.300 -5.123 -2.255 1.00 0.00 C ATOM 366 CG LYS X 24 57.828 -5.330 -2.384 1.00 0.00 C ATOM 367 CD LYS X 24 57.102 -4.647 -1.246 1.00 0.00 C ATOM 368 CE LYS X 24 55.607 -4.621 -1.470 1.00 0.00 C ATOM 369 NZ LYS X 24 55.268 -3.930 -2.727 1.00 0.00 N ATOM 0 H LYS X 24 61.657 -4.974 -2.220 1.00 0.00 H new ATOM 0 HA LYS X 24 59.939 -6.685 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.645 -5.623 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.493 -4.058 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.480 -4.933 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.602 -6.396 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.321 -5.165 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.471 -3.627 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.223 -5.641 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.120 -4.120 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.265 -3.657 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.857 -3.079 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.442 -4.566 -3.531 1.00 0.00 H new ATOM 383 N GLU X 25 60.012 -3.583 -4.744 1.00 0.00 N ATOM 384 CA GLU X 25 59.623 -2.766 -5.860 1.00 0.00 C ATOM 385 C GLU X 25 60.461 -3.078 -7.108 1.00 0.00 C ATOM 386 O GLU X 25 60.007 -2.877 -8.229 1.00 0.00 O ATOM 387 CB GLU X 25 59.703 -1.281 -5.497 1.00 0.00 C ATOM 388 CG GLU X 25 58.870 -0.875 -4.283 1.00 0.00 C ATOM 389 CD GLU X 25 57.412 -1.263 -4.385 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.695 -0.748 -5.273 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.940 -2.059 -3.550 1.00 0.00 O ATOM 0 H GLU X 25 60.519 -3.086 -4.012 1.00 0.00 H new ATOM 0 HA GLU X 25 58.586 -3.002 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.745 -1.023 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.379 -0.693 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.297 -1.334 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU X 25 58.940 0.205 -4.150 1.00 0.00 H new ATOM 398 N ASN X 26 61.670 -3.583 -6.906 1.00 0.00 N ATOM 399 CA ASN X 26 62.554 -3.955 -8.017 1.00 0.00 C ATOM 400 C ASN X 26 62.057 -5.234 -8.682 1.00 0.00 C ATOM 401 O ASN X 26 61.948 -5.299 -9.909 1.00 0.00 O ATOM 402 CB ASN X 26 64.006 -4.142 -7.535 1.00 0.00 C ATOM 403 CG ASN X 26 65.007 -4.506 -8.641 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.951 -5.252 -8.400 1.00 0.00 O ATOM 405 ND2 ASN X 26 64.853 -3.958 -9.825 1.00 0.00 N ATOM 0 H ASN X 26 62.068 -3.747 -5.981 1.00 0.00 H new ATOM 0 HA ASN X 26 62.538 -3.144 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.336 -3.221 -7.054 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.025 -4.923 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.526 -4.150 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.060 -3.341 -10.002 1.00 0.00 H new ATOM 412 N VAL X 27 61.718 -6.239 -7.874 1.00 0.00 N ATOM 413 CA VAL X 27 61.233 -7.511 -8.416 1.00 0.00 C ATOM 414 C VAL X 27 59.800 -7.398 -8.924 1.00 0.00 C ATOM 415 O VAL X 27 59.376 -8.169 -9.780 1.00 0.00 O ATOM 416 CB VAL X 27 61.371 -8.713 -7.430 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.826 -8.937 -7.054 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.505 -8.534 -6.184 1.00 0.00 C ATOM 0 H VAL X 27 61.769 -6.200 -6.856 1.00 0.00 H new ATOM 0 HA VAL X 27 61.889 -7.728 -9.259 1.00 0.00 H new ATOM 0 HB VAL X 27 61.008 -9.601 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.899 -9.779 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.405 -9.151 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.220 -8.041 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.632 -9.394 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.806 -7.627 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.458 -8.453 -6.477 1.00 0.00 H new ATOM 428 N ALA X 28 59.048 -6.459 -8.386 1.00 0.00 N ATOM 429 CA ALA X 28 57.700 -6.202 -8.873 1.00 0.00 C ATOM 430 C ALA X 28 57.775 -5.329 -10.113 1.00 0.00 C ATOM 431 O ALA X 28 56.907 -5.384 -10.984 1.00 0.00 O ATOM 432 CB ALA X 28 56.862 -5.522 -7.802 1.00 0.00 C ATOM 0 H ALA X 28 59.342 -5.861 -7.614 1.00 0.00 H new ATOM 0 HA ALA X 28 57.224 -7.151 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.859 -5.339 -8.187 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.802 -6.165 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.323 -4.574 -7.527 1.00 0.00 H new ATOM 438 N ALA X 29 58.849 -4.555 -10.173 1.00 0.00 N ATOM 439 CA ALA X 29 59.150 -3.619 -11.236 1.00 0.00 C ATOM 440 C ALA X 29 58.111 -2.522 -11.326 1.00 0.00 C ATOM 441 O ALA X 29 57.286 -2.476 -12.250 1.00 0.00 O ATOM 442 CB ALA X 29 59.404 -4.294 -12.577 1.00 0.00 C ATOM 0 H ALA X 29 59.565 -4.566 -9.446 1.00 0.00 H new ATOM 0 HA ALA X 29 60.094 -3.145 -10.968 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.624 -3.537 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.252 -4.973 -12.488 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.519 -4.856 -12.875 1.00 0.00 H new ATOM 448 N THR X 30 58.103 -1.692 -10.324 1.00 0.00 N ATOM 449 CA THR X 30 57.209 -0.577 -10.272 1.00 0.00 C ATOM 450 C THR X 30 57.972 0.660 -10.705 1.00 0.00 C ATOM 451 O THR X 30 59.109 0.537 -11.184 1.00 0.00 O ATOM 452 CB THR X 30 56.641 -0.419 -8.845 1.00 0.00 C ATOM 453 OG1 THR X 30 57.701 -0.235 -7.890 1.00 0.00 O ATOM 454 CG2 THR X 30 55.888 -1.659 -8.472 1.00 0.00 C ATOM 0 H THR X 30 58.721 -1.772 -9.516 1.00 0.00 H new ATOM 0 HA THR X 30 56.363 -0.731 -10.942 1.00 0.00 H new ATOM 0 HB THR X 30 55.987 0.453 -8.833 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.362 -0.408 -6.987 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.485 -1.551 -7.465 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.070 -1.813 -9.175 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.560 -2.516 -8.504 1.00 0.00 H new ATOM 462 N ASP X 31 57.405 1.834 -10.580 1.00 0.00 N ATOM 463 CA ASP X 31 58.155 3.002 -10.986 1.00 0.00 C ATOM 464 C ASP X 31 58.126 4.096 -9.952 1.00 0.00 C ATOM 465 O ASP X 31 59.155 4.637 -9.629 1.00 0.00 O ATOM 466 CB ASP X 31 57.726 3.559 -12.363 1.00 0.00 C ATOM 467 CG ASP X 31 56.498 4.454 -12.309 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.365 3.939 -12.248 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.656 5.698 -12.277 1.00 0.00 O ATOM 0 H ASP X 31 56.468 2.007 -10.217 1.00 0.00 H new ATOM 0 HA ASP X 31 59.182 2.650 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.556 4.122 -12.791 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.526 2.725 -13.036 1.00 0.00 H new ATOM 474 N ASP X 32 56.968 4.384 -9.389 1.00 0.00 N ATOM 475 CA ASP X 32 56.844 5.538 -8.511 1.00 0.00 C ATOM 476 C ASP X 32 57.659 5.387 -7.290 1.00 0.00 C ATOM 477 O ASP X 32 58.505 6.224 -7.007 1.00 0.00 O ATOM 478 CB ASP X 32 55.397 5.871 -8.177 1.00 0.00 C ATOM 479 CG ASP X 32 55.258 7.198 -7.455 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.302 8.255 -8.129 1.00 0.00 O ATOM 481 OD2 ASP X 32 55.052 7.220 -6.229 1.00 0.00 O ATOM 0 H ASP X 32 56.111 3.846 -9.519 1.00 0.00 H new ATOM 0 HA ASP X 32 57.238 6.388 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.812 5.898 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.979 5.078 -7.557 1.00 0.00 H new ATOM 486 N VAL X 33 57.480 4.300 -6.626 1.00 0.00 N ATOM 487 CA VAL X 33 58.170 4.052 -5.431 1.00 0.00 C ATOM 488 C VAL X 33 59.507 3.439 -5.711 1.00 0.00 C ATOM 489 O VAL X 33 60.466 3.711 -5.009 1.00 0.00 O ATOM 490 CB VAL X 33 57.328 3.205 -4.490 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.114 2.818 -3.306 1.00 0.00 C ATOM 492 CG2 VAL X 33 56.180 4.019 -4.046 1.00 0.00 C ATOM 0 H VAL X 33 56.842 3.556 -6.908 1.00 0.00 H new ATOM 0 HA VAL X 33 58.354 5.000 -4.926 1.00 0.00 H new ATOM 0 HB VAL X 33 56.998 2.304 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.497 2.212 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL X 33 58.984 2.241 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.443 3.714 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.559 3.433 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.542 4.908 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.590 4.318 -4.912 1.00 0.00 H new ATOM 502 N LEU X 34 59.588 2.694 -6.788 1.00 0.00 N ATOM 503 CA LEU X 34 60.830 2.084 -7.190 1.00 0.00 C ATOM 504 C LEU X 34 61.849 3.183 -7.408 1.00 0.00 C ATOM 505 O LEU X 34 62.937 3.143 -6.844 1.00 0.00 O ATOM 506 CB LEU X 34 60.598 1.246 -8.458 1.00 0.00 C ATOM 507 CG LEU X 34 61.751 0.392 -9.024 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.598 1.193 -9.974 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.604 -0.220 -7.917 1.00 0.00 C ATOM 0 H LEU X 34 58.801 2.496 -7.405 1.00 0.00 H new ATOM 0 HA LEU X 34 61.209 1.411 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.762 0.575 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.279 1.928 -9.246 1.00 0.00 H new ATOM 0 HG LEU X 34 61.300 -0.432 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.404 0.568 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.983 1.543 -10.803 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.022 2.049 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.404 -0.813 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.036 0.575 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.983 -0.860 -7.290 1.00 0.00 H new ATOM 521 N ASP X 35 61.451 4.211 -8.127 1.00 0.00 N ATOM 522 CA ASP X 35 62.307 5.321 -8.356 1.00 0.00 C ATOM 523 C ASP X 35 62.539 6.125 -7.114 1.00 0.00 C ATOM 524 O ASP X 35 63.574 6.766 -7.006 1.00 0.00 O ATOM 525 CB ASP X 35 61.843 6.211 -9.495 1.00 0.00 C ATOM 526 CG ASP X 35 62.131 5.690 -10.887 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.298 5.763 -11.335 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.190 5.289 -11.599 1.00 0.00 O ATOM 0 H ASP X 35 60.530 4.287 -8.559 1.00 0.00 H new ATOM 0 HA ASP X 35 63.260 4.889 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.768 6.365 -9.398 1.00 0.00 H new ATOM 0 HB3 ASP X 35 62.316 7.187 -9.386 1.00 0.00 H new ATOM 533 N VAL X 36 61.601 6.114 -6.164 1.00 0.00 N ATOM 534 CA VAL X 36 61.849 6.846 -4.931 1.00 0.00 C ATOM 535 C VAL X 36 62.945 6.192 -4.205 1.00 0.00 C ATOM 536 O VAL X 36 63.925 6.802 -3.870 1.00 0.00 O ATOM 537 CB VAL X 36 60.693 6.780 -3.913 1.00 0.00 C ATOM 538 CG1 VAL X 36 61.073 7.527 -2.663 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.461 7.334 -4.432 1.00 0.00 C ATOM 0 H VAL X 36 60.705 5.630 -6.221 1.00 0.00 H new ATOM 0 HA VAL X 36 62.029 7.873 -5.249 1.00 0.00 H new ATOM 0 HB VAL X 36 60.520 5.726 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL X 36 60.253 7.478 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.964 7.076 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL X 36 61.277 8.569 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.682 7.261 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.615 8.380 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.157 6.778 -5.319 1.00 0.00 H new ATOM 549 N LEU X 37 62.791 4.918 -4.062 1.00 0.00 N ATOM 550 CA LEU X 37 63.628 4.147 -3.229 1.00 0.00 C ATOM 551 C LEU X 37 65.000 4.050 -3.764 1.00 0.00 C ATOM 552 O LEU X 37 65.958 4.119 -3.014 1.00 0.00 O ATOM 553 CB LEU X 37 63.048 2.797 -2.998 1.00 0.00 C ATOM 554 CG LEU X 37 61.619 2.749 -2.455 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.138 1.324 -2.301 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.494 3.500 -1.139 1.00 0.00 C ATOM 0 H LEU X 37 62.063 4.381 -4.533 1.00 0.00 H new ATOM 0 HA LEU X 37 63.693 4.660 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.073 2.250 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.695 2.263 -2.302 1.00 0.00 H new ATOM 0 HG LEU X 37 60.982 3.247 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.119 1.324 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.157 0.827 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.790 0.793 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.465 3.444 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.158 3.052 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.770 4.544 -1.288 1.00 0.00 H new ATOM 568 N LEU X 38 65.089 3.908 -5.057 1.00 0.00 N ATOM 569 CA LEU X 38 66.353 3.853 -5.721 1.00 0.00 C ATOM 570 C LEU X 38 67.140 5.119 -5.464 1.00 0.00 C ATOM 571 O LEU X 38 68.296 5.065 -5.023 1.00 0.00 O ATOM 572 CB LEU X 38 66.158 3.632 -7.214 1.00 0.00 C ATOM 573 CG LEU X 38 65.652 2.265 -7.686 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.967 2.082 -9.147 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.206 1.115 -6.859 1.00 0.00 C ATOM 0 H LEU X 38 64.283 3.827 -5.678 1.00 0.00 H new ATOM 0 HA LEU X 38 66.920 3.012 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.459 4.387 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.112 3.821 -7.706 1.00 0.00 H new ATOM 0 HG LEU X 38 64.571 2.248 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.605 1.109 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.479 2.866 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.045 2.138 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.814 0.172 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.294 1.109 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.908 1.239 -5.818 1.00 0.00 H new ATOM 587 N GLU X 39 66.492 6.238 -5.661 1.00 0.00 N ATOM 588 CA GLU X 39 67.115 7.518 -5.463 1.00 0.00 C ATOM 589 C GLU X 39 67.361 7.797 -4.006 1.00 0.00 C ATOM 590 O GLU X 39 68.394 8.342 -3.634 1.00 0.00 O ATOM 591 CB GLU X 39 66.255 8.598 -6.017 1.00 0.00 C ATOM 592 CG GLU X 39 66.128 8.599 -7.507 1.00 0.00 C ATOM 593 CD GLU X 39 67.446 8.784 -8.194 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.170 7.808 -8.397 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.794 9.931 -8.545 1.00 0.00 O ATOM 0 H GLU X 39 65.519 6.286 -5.963 1.00 0.00 H new ATOM 0 HA GLU X 39 68.073 7.494 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.260 8.509 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.656 9.561 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.682 7.659 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.449 9.396 -7.810 1.00 0.00 H new ATOM 602 N HIS X 40 66.409 7.426 -3.198 1.00 0.00 N ATOM 603 CA HIS X 40 66.454 7.646 -1.780 1.00 0.00 C ATOM 604 C HIS X 40 67.662 6.954 -1.204 1.00 0.00 C ATOM 605 O HIS X 40 68.431 7.551 -0.455 1.00 0.00 O ATOM 606 CB HIS X 40 65.167 7.094 -1.141 1.00 0.00 C ATOM 607 CG HIS X 40 65.036 7.283 0.340 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.146 8.142 0.932 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.683 6.666 1.354 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.277 8.023 2.246 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.201 7.138 2.553 1.00 0.00 N ATOM 0 H HIS X 40 65.562 6.952 -3.513 1.00 0.00 H new ATOM 0 HA HIS X 40 66.526 8.713 -1.571 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.313 7.568 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS X 40 65.106 6.028 -1.358 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.498 8.763 0.447 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.456 5.920 1.241 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.701 8.580 2.970 1.00 0.00 H new ATOM 619 N PHE X 41 67.838 5.730 -1.620 1.00 0.00 N ATOM 620 CA PHE X 41 68.924 4.897 -1.215 1.00 0.00 C ATOM 621 C PHE X 41 70.254 5.523 -1.604 1.00 0.00 C ATOM 622 O PHE X 41 71.129 5.724 -0.762 1.00 0.00 O ATOM 623 CB PHE X 41 68.733 3.529 -1.859 1.00 0.00 C ATOM 624 CG PHE X 41 69.909 2.615 -1.779 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.234 1.993 -0.595 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.690 2.380 -2.889 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.324 1.155 -0.517 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.776 1.541 -2.808 1.00 0.00 C ATOM 629 CZ PHE X 41 72.094 0.932 -1.624 1.00 0.00 C ATOM 0 H PHE X 41 67.203 5.274 -2.274 1.00 0.00 H new ATOM 0 HA PHE X 41 68.937 4.787 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.881 3.040 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.477 3.673 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.628 2.164 0.282 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.448 2.857 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.570 0.674 0.418 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.382 1.361 -3.684 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.951 0.277 -1.565 1.00 0.00 H new ATOM 639 N VAL X 42 70.392 5.868 -2.849 1.00 0.00 N ATOM 640 CA VAL X 42 71.616 6.459 -3.339 1.00 0.00 C ATOM 641 C VAL X 42 71.885 7.839 -2.759 1.00 0.00 C ATOM 642 O VAL X 42 73.017 8.224 -2.586 1.00 0.00 O ATOM 643 CB VAL X 42 71.752 6.374 -4.883 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.653 7.035 -5.613 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.103 6.801 -5.403 1.00 0.00 C ATOM 0 H VAL X 42 69.667 5.751 -3.557 1.00 0.00 H new ATOM 0 HA VAL X 42 72.428 5.841 -2.957 1.00 0.00 H new ATOM 0 HB VAL X 42 71.667 5.308 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.817 6.934 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.705 6.568 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.624 8.092 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.119 6.713 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.291 7.837 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.876 6.162 -4.976 1.00 0.00 H new ATOM 655 N LYS X 43 70.859 8.571 -2.456 1.00 0.00 N ATOM 656 CA LYS X 43 71.053 9.904 -1.861 1.00 0.00 C ATOM 657 C LYS X 43 71.515 9.813 -0.400 1.00 0.00 C ATOM 658 O LYS X 43 72.270 10.657 0.064 1.00 0.00 O ATOM 659 CB LYS X 43 69.786 10.799 -1.968 1.00 0.00 C ATOM 660 CG LYS X 43 68.860 10.827 -0.717 1.00 0.00 C ATOM 661 CD LYS X 43 67.664 11.748 -0.947 1.00 0.00 C ATOM 662 CE LYS X 43 66.899 12.065 0.346 1.00 0.00 C ATOM 663 NZ LYS X 43 66.307 10.871 0.996 1.00 0.00 N ATOM 0 H LYS X 43 69.887 8.297 -2.598 1.00 0.00 H new ATOM 0 HA LYS X 43 71.841 10.379 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS X 43 70.104 11.819 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.199 10.462 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.511 9.819 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.425 11.167 0.151 1.00 0.00 H new ATOM 0 HD2 LYS X 43 68.009 12.679 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.985 11.282 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.576 12.552 1.048 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.105 12.777 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.270 10.937 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.614 10.014 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.621 10.823 1.986 1.00 0.00 H new ATOM 677 N ILE X 44 71.059 8.807 0.316 1.00 0.00 N ATOM 678 CA ILE X 44 71.421 8.687 1.711 1.00 0.00 C ATOM 679 C ILE X 44 72.762 8.000 1.873 1.00 0.00 C ATOM 680 O ILE X 44 73.552 8.366 2.738 1.00 0.00 O ATOM 681 CB ILE X 44 70.319 7.998 2.560 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.985 6.610 2.011 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.071 8.870 2.591 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.914 5.883 2.770 1.00 0.00 C ATOM 0 H ILE X 44 70.447 8.072 -0.038 1.00 0.00 H new ATOM 0 HA ILE X 44 71.515 9.702 2.098 1.00 0.00 H new ATOM 0 HB ILE X 44 70.695 7.873 3.575 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.672 6.710 0.972 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.891 6.004 2.015 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.301 8.382 3.188 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.314 9.837 3.032 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.704 9.016 1.575 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.741 4.909 2.313 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.229 5.747 3.804 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.992 6.464 2.745 1.00 0.00 H new ATOM 696 N THR X 45 73.035 7.042 1.016 1.00 0.00 N ATOM 697 CA THR X 45 74.281 6.324 1.071 1.00 0.00 C ATOM 698 C THR X 45 75.362 7.121 0.385 1.00 0.00 C ATOM 699 O THR X 45 76.536 7.102 0.798 1.00 0.00 O ATOM 700 CB THR X 45 74.149 4.959 0.381 1.00 0.00 C ATOM 701 OG1 THR X 45 73.742 5.140 -0.991 1.00 0.00 O ATOM 702 CG2 THR X 45 73.118 4.112 1.086 1.00 0.00 C ATOM 0 H THR X 45 72.406 6.744 0.271 1.00 0.00 H new ATOM 0 HA THR X 45 74.542 6.170 2.118 1.00 0.00 H new ATOM 0 HB THR X 45 75.117 4.460 0.419 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.765 5.089 -1.052 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.036 3.147 0.585 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.420 3.959 2.122 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.153 4.618 1.061 1.00 0.00 H new ATOM 710 N GLU X 46 74.935 7.824 -0.673 1.00 0.00 N ATOM 711 CA GLU X 46 75.763 8.659 -1.532 1.00 0.00 C ATOM 712 C GLU X 46 76.768 7.814 -2.273 1.00 0.00 C ATOM 713 O GLU X 46 77.794 8.309 -2.766 1.00 0.00 O ATOM 714 CB GLU X 46 76.420 9.755 -0.745 1.00 0.00 C ATOM 715 CG GLU X 46 75.449 10.628 -0.022 1.00 0.00 C ATOM 716 CD GLU X 46 76.142 11.707 0.734 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.939 11.381 1.642 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.939 12.905 0.412 1.00 0.00 O ATOM 0 H GLU X 46 73.956 7.821 -0.960 1.00 0.00 H new ATOM 0 HA GLU X 46 75.125 9.140 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU X 46 77.107 9.313 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.017 10.369 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.755 11.071 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.857 10.024 0.665 1.00 0.00 H new ATOM 725 N HIS X 47 76.436 6.539 -2.389 1.00 0.00 N ATOM 726 CA HIS X 47 77.270 5.605 -3.060 1.00 0.00 C ATOM 727 C HIS X 47 77.177 5.897 -4.559 1.00 0.00 C ATOM 728 O HIS X 47 76.080 6.039 -5.079 1.00 0.00 O ATOM 729 CB HIS X 47 76.818 4.161 -2.750 1.00 0.00 C ATOM 730 CG HIS X 47 77.836 3.136 -3.136 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.761 2.331 -4.243 1.00 0.00 N ATOM 732 CD2 HIS X 47 79.006 2.843 -2.551 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.887 1.606 -4.292 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.670 1.881 -3.287 1.00 0.00 N ATOM 0 H HIS X 47 75.576 6.140 -2.014 1.00 0.00 H new ATOM 0 HA HIS X 47 78.302 5.700 -2.723 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.607 4.073 -1.684 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.886 3.956 -3.277 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.374 3.292 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.116 0.887 -5.064 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.582 1.471 -3.086 1.00 0.00 H new ATOM 742 N PRO X 48 78.309 5.951 -5.283 1.00 0.00 N ATOM 743 CA PRO X 48 78.337 6.332 -6.712 1.00 0.00 C ATOM 744 C PRO X 48 77.664 5.305 -7.571 1.00 0.00 C ATOM 745 O PRO X 48 77.218 5.577 -8.687 1.00 0.00 O ATOM 746 CB PRO X 48 79.822 6.308 -7.040 1.00 0.00 C ATOM 747 CG PRO X 48 80.513 6.388 -5.756 1.00 0.00 C ATOM 748 CD PRO X 48 79.658 5.629 -4.810 1.00 0.00 C ATOM 0 HA PRO X 48 77.833 7.282 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.090 5.396 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.094 7.145 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.512 5.956 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.632 7.423 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.858 4.558 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.813 5.944 -3.778 1.00 0.00 H new ATOM 756 N ASP X 49 77.521 4.160 -7.007 1.00 0.00 N ATOM 757 CA ASP X 49 77.055 3.039 -7.670 1.00 0.00 C ATOM 758 C ASP X 49 75.871 2.567 -6.883 1.00 0.00 C ATOM 759 O ASP X 49 75.647 1.378 -6.741 1.00 0.00 O ATOM 760 CB ASP X 49 78.124 1.933 -7.712 1.00 0.00 C ATOM 761 CG ASP X 49 79.326 2.258 -8.552 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.322 1.947 -9.764 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.304 2.795 -8.010 1.00 0.00 O ATOM 0 H ASP X 49 77.741 3.992 -6.025 1.00 0.00 H new ATOM 0 HA ASP X 49 76.800 3.275 -8.703 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.454 1.725 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.668 1.019 -8.092 1.00 0.00 H new ATOM 768 N GLY X 50 75.154 3.543 -6.310 1.00 0.00 N ATOM 769 CA GLY X 50 73.980 3.305 -5.476 1.00 0.00 C ATOM 770 C GLY X 50 73.071 2.320 -6.047 1.00 0.00 C ATOM 771 O GLY X 50 72.838 1.266 -5.470 1.00 0.00 O ATOM 0 H GLY X 50 75.381 4.532 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.302 2.967 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.446 4.244 -5.332 1.00 0.00 H new ATOM 775 N THR X 51 72.654 2.561 -7.201 1.00 0.00 N ATOM 776 CA THR X 51 71.705 1.670 -7.740 1.00 0.00 C ATOM 777 C THR X 51 72.296 0.478 -8.410 1.00 0.00 C ATOM 778 O THR X 51 71.650 -0.554 -8.532 1.00 0.00 O ATOM 779 CB THR X 51 70.569 2.304 -8.475 1.00 0.00 C ATOM 780 OG1 THR X 51 70.953 3.604 -8.957 1.00 0.00 O ATOM 781 CG2 THR X 51 69.411 2.406 -7.528 1.00 0.00 C ATOM 0 H THR X 51 72.934 3.343 -7.793 1.00 0.00 H new ATOM 0 HA THR X 51 71.214 1.264 -6.855 1.00 0.00 H new ATOM 0 HB THR X 51 70.289 1.703 -9.340 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.202 4.009 -9.438 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.564 2.866 -8.037 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.131 1.409 -7.187 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.695 3.017 -6.671 1.00 0.00 H new ATOM 789 N ALA X 52 73.559 0.576 -8.746 1.00 0.00 N ATOM 790 CA ALA X 52 74.274 -0.552 -9.258 1.00 0.00 C ATOM 791 C ALA X 52 74.382 -1.591 -8.166 1.00 0.00 C ATOM 792 O ALA X 52 74.342 -2.769 -8.454 1.00 0.00 O ATOM 793 CB ALA X 52 75.628 -0.147 -9.797 1.00 0.00 C ATOM 0 H ALA X 52 74.109 1.432 -8.671 1.00 0.00 H new ATOM 0 HA ALA X 52 73.731 -0.981 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.146 -1.027 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.498 0.575 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.218 0.303 -8.998 1.00 0.00 H new ATOM 799 N LEU X 53 74.452 -1.134 -6.904 1.00 0.00 N ATOM 800 CA LEU X 53 74.433 -2.030 -5.758 1.00 0.00 C ATOM 801 C LEU X 53 73.105 -2.714 -5.626 1.00 0.00 C ATOM 802 O LEU X 53 73.059 -3.887 -5.306 1.00 0.00 O ATOM 803 CB LEU X 53 74.775 -1.347 -4.433 1.00 0.00 C ATOM 804 CG LEU X 53 76.206 -0.860 -4.242 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.414 -0.450 -2.810 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.222 -1.917 -4.657 1.00 0.00 C ATOM 0 H LEU X 53 74.522 -0.146 -6.662 1.00 0.00 H new ATOM 0 HA LEU X 53 75.216 -2.761 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU X 53 74.110 -0.492 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.546 -2.044 -3.626 1.00 0.00 H new ATOM 0 HG LEU X 53 76.362 0.004 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.438 -0.102 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.722 0.353 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.233 -1.304 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.230 -1.532 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.082 -2.813 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU X 53 77.082 -2.163 -5.710 1.00 0.00 H new ATOM 818 N ILE X 54 72.018 -1.993 -5.899 1.00 0.00 N ATOM 819 CA ILE X 54 70.688 -2.605 -5.789 1.00 0.00 C ATOM 820 C ILE X 54 70.558 -3.669 -6.849 1.00 0.00 C ATOM 821 O ILE X 54 70.182 -4.818 -6.588 1.00 0.00 O ATOM 822 CB ILE X 54 69.512 -1.570 -5.957 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.462 -0.565 -4.792 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.161 -2.268 -6.132 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.469 -1.211 -3.451 1.00 0.00 C ATOM 0 H ILE X 54 72.025 -1.015 -6.189 1.00 0.00 H new ATOM 0 HA ILE X 54 70.605 -3.022 -4.786 1.00 0.00 H new ATOM 0 HB ILE X 54 69.717 -1.010 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE X 54 70.316 0.109 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE X 54 68.564 0.046 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.377 -1.520 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.190 -2.900 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.953 -2.883 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.432 -0.444 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.601 -1.863 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE X 54 70.379 -1.800 -3.335 1.00 0.00 H new ATOM 837 N TYR X 55 70.924 -3.278 -8.026 1.00 0.00 N ATOM 838 CA TYR X 55 70.857 -4.112 -9.160 1.00 0.00 C ATOM 839 C TYR X 55 71.776 -5.330 -9.088 1.00 0.00 C ATOM 840 O TYR X 55 71.370 -6.437 -9.457 1.00 0.00 O ATOM 841 CB TYR X 55 70.983 -3.298 -10.423 1.00 0.00 C ATOM 842 CG TYR X 55 69.681 -2.594 -10.758 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.309 -1.437 -10.097 1.00 0.00 C ATOM 844 CD2 TYR X 55 68.805 -3.113 -11.702 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.124 -0.808 -10.359 1.00 0.00 C ATOM 846 CE2 TYR X 55 67.604 -2.487 -11.973 1.00 0.00 C ATOM 847 CZ TYR X 55 67.268 -1.335 -11.298 1.00 0.00 C ATOM 848 OH TYR X 55 66.072 -0.696 -11.567 1.00 0.00 O ATOM 0 H TYR X 55 71.286 -2.344 -8.220 1.00 0.00 H new ATOM 0 HA TYR X 55 69.865 -4.564 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.777 -2.561 -10.305 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.271 -3.948 -11.250 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.973 -1.020 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.066 -4.018 -12.231 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.861 0.097 -9.832 1.00 0.00 H new ATOM 0 HE2 TYR X 55 66.932 -2.899 -12.711 1.00 0.00 H new ATOM 0 HH TYR X 55 65.583 -1.194 -12.255 1.00 0.00 H new ATOM 858 N GLU X 56 72.997 -5.154 -8.585 1.00 0.00 N ATOM 859 CA GLU X 56 73.865 -6.297 -8.422 1.00 0.00 C ATOM 860 C GLU X 56 73.385 -7.178 -7.304 1.00 0.00 C ATOM 861 O GLU X 56 73.451 -8.363 -7.430 1.00 0.00 O ATOM 862 CB GLU X 56 75.365 -5.981 -8.258 1.00 0.00 C ATOM 863 CG GLU X 56 75.719 -5.034 -7.134 1.00 0.00 C ATOM 864 CD GLU X 56 77.186 -5.047 -6.802 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.959 -4.303 -7.446 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.612 -5.814 -5.894 1.00 0.00 O ATOM 0 H GLU X 56 73.390 -4.258 -8.295 1.00 0.00 H new ATOM 0 HA GLU X 56 73.797 -6.825 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.899 -6.918 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.732 -5.558 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.423 -4.022 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.148 -5.302 -6.245 1.00 0.00 H new ATOM 873 N ALA X 57 72.861 -6.587 -6.228 1.00 0.00 N ATOM 874 CA ALA X 57 72.358 -7.361 -5.086 1.00 0.00 C ATOM 875 C ALA X 57 71.275 -8.326 -5.532 1.00 0.00 C ATOM 876 O ALA X 57 71.230 -9.463 -5.081 1.00 0.00 O ATOM 877 CB ALA X 57 71.830 -6.451 -3.986 1.00 0.00 C ATOM 0 H ALA X 57 72.773 -5.576 -6.122 1.00 0.00 H new ATOM 0 HA ALA X 57 73.194 -7.930 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.466 -7.057 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.632 -5.801 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.014 -5.843 -4.377 1.00 0.00 H new ATOM 1025 N GLY X 71 70.904 -10.298 -1.439 1.00 0.00 N ATOM 1026 CA GLY X 71 69.725 -9.999 -0.739 1.00 0.00 C ATOM 1027 C GLY X 71 69.812 -8.637 -0.130 1.00 0.00 C ATOM 1028 O GLY X 71 70.899 -8.035 -0.110 1.00 0.00 O ATOM 0 HA2 GLY X 71 68.871 -10.048 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.559 -10.743 0.040 1.00 0.00 H new ATOM 1032 N PRO X 72 68.704 -8.131 0.392 1.00 0.00 N ATOM 1033 CA PRO X 72 68.620 -6.802 0.982 1.00 0.00 C ATOM 1034 C PRO X 72 69.593 -6.602 2.121 1.00 0.00 C ATOM 1035 O PRO X 72 70.239 -5.571 2.213 1.00 0.00 O ATOM 1036 CB PRO X 72 67.184 -6.703 1.468 1.00 0.00 C ATOM 1037 CG PRO X 72 66.706 -8.103 1.524 1.00 0.00 C ATOM 1038 CD PRO X 72 67.418 -8.819 0.425 1.00 0.00 C ATOM 0 HA PRO X 72 68.883 -6.029 0.260 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.130 -6.227 2.447 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.577 -6.105 0.789 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.927 -8.553 2.492 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.626 -8.153 1.388 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.530 -9.882 0.637 1.00 0.00 H new ATOM 0 HD3 PRO X 72 66.888 -8.738 -0.524 1.00 0.00 H new ATOM 1046 N GLU X 73 69.759 -7.600 2.947 1.00 0.00 N ATOM 1047 CA GLU X 73 70.675 -7.478 4.045 1.00 0.00 C ATOM 1048 C GLU X 73 72.146 -7.506 3.614 1.00 0.00 C ATOM 1049 O GLU X 73 73.047 -7.398 4.443 1.00 0.00 O ATOM 1050 CB GLU X 73 70.375 -8.456 5.160 1.00 0.00 C ATOM 1051 CG GLU X 73 69.019 -8.239 5.799 1.00 0.00 C ATOM 1052 CD GLU X 73 68.806 -9.103 7.021 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.443 -8.855 8.070 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.991 -10.057 6.953 1.00 0.00 O ATOM 0 H GLU X 73 69.277 -8.497 2.881 1.00 0.00 H new ATOM 0 HA GLU X 73 70.512 -6.482 4.456 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.425 -9.471 4.767 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.147 -8.372 5.925 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.917 -7.190 6.078 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.239 -8.452 5.068 1.00 0.00 H new ATOM 1061 N GLY X 74 72.394 -7.620 2.339 1.00 0.00 N ATOM 1062 CA GLY X 74 73.748 -7.536 1.897 1.00 0.00 C ATOM 1063 C GLY X 74 74.035 -6.274 1.135 1.00 0.00 C ATOM 1064 O GLY X 74 75.181 -6.007 0.782 1.00 0.00 O ATOM 0 H GLY X 74 71.696 -7.767 1.610 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.411 -7.592 2.760 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.973 -8.395 1.265 1.00 0.00 H new ATOM 1068 N ILE X 75 73.013 -5.472 0.908 1.00 0.00 N ATOM 1069 CA ILE X 75 73.205 -4.200 0.222 1.00 0.00 C ATOM 1070 C ILE X 75 73.780 -3.240 1.248 1.00 0.00 C ATOM 1071 O ILE X 75 74.758 -2.543 1.021 1.00 0.00 O ATOM 1072 CB ILE X 75 71.873 -3.601 -0.283 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.878 -4.714 -0.675 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.157 -2.683 -1.457 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.560 -4.239 -1.269 1.00 0.00 C ATOM 0 H ILE X 75 72.051 -5.671 1.183 1.00 0.00 H new ATOM 0 HA ILE X 75 73.852 -4.355 -0.641 1.00 0.00 H new ATOM 0 HB ILE X 75 71.410 -3.025 0.519 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.363 -5.373 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.662 -5.312 0.210 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.222 -2.256 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.823 -1.881 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.630 -3.252 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.937 -5.101 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.043 -3.606 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.755 -3.669 -2.177 1.00 0.00 H new ATOM 1087 N VAL X 76 73.152 -3.277 2.398 1.00 0.00 N ATOM 1088 CA VAL X 76 73.527 -2.522 3.593 1.00 0.00 C ATOM 1089 C VAL X 76 74.941 -2.806 4.006 1.00 0.00 C ATOM 1090 O VAL X 76 75.715 -1.905 4.326 1.00 0.00 O ATOM 1091 CB VAL X 76 72.547 -2.885 4.732 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.161 -4.333 4.748 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.917 -2.346 6.104 1.00 0.00 C ATOM 0 H VAL X 76 72.326 -3.858 2.544 1.00 0.00 H new ATOM 0 HA VAL X 76 73.468 -1.456 3.372 1.00 0.00 H new ATOM 0 HB VAL X 76 71.642 -2.335 4.474 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.472 -4.517 5.572 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.677 -4.591 3.806 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.053 -4.946 4.877 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.167 -2.656 6.831 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.891 -2.737 6.398 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.959 -1.257 6.068 1.00 0.00 H new ATOM 1103 N LYS X 77 75.254 -4.048 3.979 1.00 0.00 N ATOM 1104 CA LYS X 77 76.576 -4.544 4.290 1.00 0.00 C ATOM 1105 C LYS X 77 77.640 -3.928 3.357 1.00 0.00 C ATOM 1106 O LYS X 77 78.746 -3.628 3.783 1.00 0.00 O ATOM 1107 CB LYS X 77 76.583 -6.065 4.228 1.00 0.00 C ATOM 1108 CG LYS X 77 77.932 -6.703 4.494 1.00 0.00 C ATOM 1109 CD LYS X 77 77.841 -8.211 4.423 1.00 0.00 C ATOM 1110 CE LYS X 77 77.128 -8.803 5.633 1.00 0.00 C ATOM 1111 NZ LYS X 77 77.870 -8.593 6.896 1.00 0.00 N ATOM 0 H LYS X 77 74.590 -4.783 3.735 1.00 0.00 H new ATOM 0 HA LYS X 77 76.836 -4.241 5.304 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.866 -6.448 4.954 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.237 -6.377 3.243 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.658 -6.344 3.765 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.293 -6.403 5.478 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.311 -8.499 3.515 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.844 -8.631 4.354 1.00 0.00 H new ATOM 0 HE2 LYS X 77 76.138 -8.356 5.720 1.00 0.00 H new ATOM 0 HE3 LYS X 77 76.982 -9.872 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.497 -9.231 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 78.879 -8.793 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 77.756 -7.607 7.206 1.00 0.00 H new ATOM 1125 N GLU X 78 77.282 -3.711 2.110 1.00 0.00 N ATOM 1126 CA GLU X 78 78.204 -3.120 1.163 1.00 0.00 C ATOM 1127 C GLU X 78 78.353 -1.618 1.489 1.00 0.00 C ATOM 1128 O GLU X 78 79.453 -1.051 1.440 1.00 0.00 O ATOM 1129 CB GLU X 78 77.663 -3.294 -0.262 1.00 0.00 C ATOM 1130 CG GLU X 78 78.732 -3.334 -1.326 1.00 0.00 C ATOM 1131 CD GLU X 78 79.488 -4.635 -1.289 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.488 -4.750 -0.574 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.053 -5.599 -1.966 1.00 0.00 O ATOM 0 H GLU X 78 76.363 -3.934 1.729 1.00 0.00 H new ATOM 0 HA GLU X 78 79.175 -3.610 1.232 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.084 -4.216 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.977 -2.475 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.277 -3.203 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.424 -2.504 -1.182 1.00 0.00 H new ATOM 1140 N ILE X 79 77.244 -1.007 1.865 1.00 0.00 N ATOM 1141 CA ILE X 79 77.194 0.420 2.177 1.00 0.00 C ATOM 1142 C ILE X 79 77.986 0.758 3.438 1.00 0.00 C ATOM 1143 O ILE X 79 78.695 1.773 3.472 1.00 0.00 O ATOM 1144 CB ILE X 79 75.724 0.926 2.342 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.913 0.721 1.044 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.687 2.391 2.784 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.417 1.511 -0.136 1.00 0.00 C ATOM 0 H ILE X 79 76.347 -1.483 1.964 1.00 0.00 H new ATOM 0 HA ILE X 79 77.652 0.930 1.329 1.00 0.00 H new ATOM 0 HB ILE X 79 75.258 0.329 3.126 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.923 -0.338 0.787 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.875 0.994 1.232 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.651 2.713 2.890 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.199 2.495 3.741 1.00 0.00 H new ATOM 0 HG23 ILE X 79 76.185 3.009 2.037 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.790 1.308 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.381 2.575 0.096 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.445 1.222 -0.355 1.00 0.00 H new ATOM 1159 N LYS X 80 77.908 -0.102 4.447 1.00 0.00 N ATOM 1160 CA LYS X 80 78.549 0.176 5.732 1.00 0.00 C ATOM 1161 C LYS X 80 80.057 0.306 5.563 1.00 0.00 C ATOM 1162 O LYS X 80 80.676 1.183 6.159 1.00 0.00 O ATOM 1163 CB LYS X 80 78.198 -0.906 6.789 1.00 0.00 C ATOM 1164 CG LYS X 80 78.787 -2.277 6.518 1.00 0.00 C ATOM 1165 CD LYS X 80 78.212 -3.349 7.428 1.00 0.00 C ATOM 1166 CE LYS X 80 78.550 -3.120 8.888 1.00 0.00 C ATOM 1167 NZ LYS X 80 78.011 -4.191 9.739 1.00 0.00 N ATOM 0 H LYS X 80 77.412 -0.992 4.404 1.00 0.00 H new ATOM 0 HA LYS X 80 78.162 1.127 6.098 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.543 -0.565 7.765 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.113 -0.998 6.848 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.601 -2.549 5.479 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.868 -2.236 6.649 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.129 -3.377 7.310 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.592 -4.323 7.120 1.00 0.00 H new ATOM 0 HE2 LYS X 80 79.632 -3.068 9.008 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.147 -2.160 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 78.260 -4.004 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.976 -4.224 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 78.415 -5.103 9.447 1.00 0.00 H new ATOM 1181 N GLU X 81 80.629 -0.526 4.701 1.00 0.00 N ATOM 1182 CA GLU X 81 82.050 -0.504 4.485 1.00 0.00 C ATOM 1183 C GLU X 81 82.473 0.726 3.706 1.00 0.00 C ATOM 1184 O GLU X 81 83.487 1.338 4.015 1.00 0.00 O ATOM 1185 CB GLU X 81 82.532 -1.776 3.812 1.00 0.00 C ATOM 1186 CG GLU X 81 82.114 -3.034 4.546 1.00 0.00 C ATOM 1187 CD GLU X 81 82.833 -4.249 4.058 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.625 -4.674 2.906 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.651 -4.793 4.815 1.00 0.00 O ATOM 0 H GLU X 81 80.124 -1.218 4.147 1.00 0.00 H new ATOM 0 HA GLU X 81 82.526 -0.453 5.464 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.143 -1.811 2.794 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.619 -1.751 3.737 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.303 -2.908 5.612 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.040 -3.180 4.428 1.00 0.00 H new ATOM 1196 N TRP X 82 81.668 1.105 2.727 1.00 0.00 N ATOM 1197 CA TRP X 82 81.970 2.261 1.891 1.00 0.00 C ATOM 1198 C TRP X 82 81.888 3.518 2.704 1.00 0.00 C ATOM 1199 O TRP X 82 82.777 4.365 2.653 1.00 0.00 O ATOM 1200 CB TRP X 82 80.962 2.391 0.780 1.00 0.00 C ATOM 1201 CG TRP X 82 81.347 3.400 -0.268 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.213 3.210 -1.302 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.870 4.746 -0.390 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.286 4.344 -2.072 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.478 5.300 -1.535 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.987 5.531 0.350 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.226 6.596 -1.959 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.744 6.817 -0.065 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.356 7.339 -1.212 1.00 0.00 C ATOM 0 H TRP X 82 80.798 0.629 2.489 1.00 0.00 H new ATOM 0 HA TRP X 82 82.971 2.119 1.485 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.830 1.419 0.305 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.999 2.671 1.206 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.763 2.299 -1.489 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.854 4.453 -2.912 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.504 5.136 1.231 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.697 7.001 -2.842 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.068 7.438 0.504 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.135 8.352 -1.513 1.00 0.00 H new ATOM 1220 N ARG X 83 80.812 3.626 3.463 1.00 0.00 N ATOM 1221 CA ARG X 83 80.540 4.795 4.248 1.00 0.00 C ATOM 1222 C ARG X 83 81.677 4.981 5.247 1.00 0.00 C ATOM 1223 O ARG X 83 82.206 6.079 5.394 1.00 0.00 O ATOM 1224 CB ARG X 83 79.254 4.610 5.024 1.00 0.00 C ATOM 1225 CG ARG X 83 78.587 5.888 5.418 1.00 0.00 C ATOM 1226 CD ARG X 83 77.786 6.558 4.297 1.00 0.00 C ATOM 1227 NE ARG X 83 77.191 7.811 4.802 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.939 8.932 4.100 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.973 8.943 2.782 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.592 10.030 4.744 1.00 0.00 N ATOM 0 H ARG X 83 80.105 2.896 3.546 1.00 0.00 H new ATOM 0 HA ARG X 83 80.449 5.659 3.590 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.561 4.022 4.422 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.465 4.031 5.923 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.919 5.691 6.257 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.346 6.585 5.772 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.435 6.767 3.446 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.003 5.887 3.943 1.00 0.00 H new ATOM 0 HE ARG X 83 76.944 7.830 5.791 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.194 8.089 2.270 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.778 9.806 2.274 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.518 10.023 5.761 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.398 10.886 4.225 1.00 0.00 H new ATOM 1244 N ALA X 84 82.067 3.883 5.884 1.00 0.00 N ATOM 1245 CA ALA X 84 83.143 3.883 6.860 1.00 0.00 C ATOM 1246 C ALA X 84 84.481 4.254 6.215 1.00 0.00 C ATOM 1247 O ALA X 84 85.201 5.107 6.725 1.00 0.00 O ATOM 1248 CB ALA X 84 83.236 2.526 7.537 1.00 0.00 C ATOM 0 H ALA X 84 81.643 2.967 5.736 1.00 0.00 H new ATOM 0 HA ALA X 84 82.917 4.639 7.612 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.046 2.538 8.266 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.296 2.306 8.043 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.433 1.759 6.788 1.00 0.00 H new ATOM 1254 N ALA X 85 84.784 3.639 5.075 1.00 0.00 N ATOM 1255 CA ALA X 85 86.038 3.888 4.359 1.00 0.00 C ATOM 1256 C ALA X 85 86.127 5.322 3.876 1.00 0.00 C ATOM 1257 O ALA X 85 87.186 5.954 3.948 1.00 0.00 O ATOM 1258 CB ALA X 85 86.187 2.931 3.192 1.00 0.00 C ATOM 0 H ALA X 85 84.174 2.958 4.622 1.00 0.00 H new ATOM 0 HA ALA X 85 86.855 3.718 5.060 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.124 3.133 2.674 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.189 1.905 3.561 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.354 3.066 2.502 1.00 0.00 H new ATOM 1264 N ASN X 86 85.008 5.840 3.401 1.00 0.00 N ATOM 1265 CA ASN X 86 84.936 7.211 2.923 1.00 0.00 C ATOM 1266 C ASN X 86 85.077 8.161 4.110 1.00 0.00 C ATOM 1267 O ASN X 86 85.575 9.277 3.984 1.00 0.00 O ATOM 1268 CB ASN X 86 83.592 7.474 2.237 1.00 0.00 C ATOM 1269 CG ASN X 86 83.596 8.750 1.411 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.441 9.849 1.931 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.672 8.611 0.123 1.00 0.00 N ATOM 0 H ASN X 86 84.129 5.327 3.336 1.00 0.00 H new ATOM 0 HA ASN X 86 85.739 7.374 2.204 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.346 6.630 1.593 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.809 7.537 2.993 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.603 9.428 -0.483 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.801 7.684 -0.283 1.00 0.00 H new ATOM 1278 N GLY X 87 84.644 7.690 5.263 1.00 0.00 N ATOM 1279 CA GLY X 87 84.699 8.470 6.460 1.00 0.00 C ATOM 1280 C GLY X 87 83.434 9.255 6.644 1.00 0.00 C ATOM 1281 O GLY X 87 83.445 10.357 7.203 1.00 0.00 O ATOM 0 H GLY X 87 84.248 6.758 5.385 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.855 7.816 7.318 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.551 9.149 6.418 1.00 0.00 H new ATOM 1285 N LYS X 88 82.337 8.688 6.194 1.00 0.00 N ATOM 1286 CA LYS X 88 81.073 9.301 6.235 1.00 0.00 C ATOM 1287 C LYS X 88 80.251 8.667 7.345 1.00 0.00 C ATOM 1288 O LYS X 88 80.425 7.480 7.625 1.00 0.00 O ATOM 1289 CB LYS X 88 80.401 9.043 4.905 1.00 0.00 C ATOM 1290 CG LYS X 88 80.809 9.948 3.759 1.00 0.00 C ATOM 1291 CD LYS X 88 80.187 9.463 2.452 1.00 0.00 C ATOM 1292 CE LYS X 88 80.433 10.421 1.290 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.624 11.657 1.392 1.00 0.00 N ATOM 0 H LYS X 88 82.324 7.756 5.780 1.00 0.00 H new ATOM 0 HA LYS X 88 81.163 10.371 6.421 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.602 8.012 4.615 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.323 9.131 5.043 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.491 10.970 3.963 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.895 9.964 3.669 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.595 8.483 2.202 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.113 9.335 2.591 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.490 10.684 1.258 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.202 9.916 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.710 12.202 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.627 11.407 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.966 12.231 2.189 1.00 0.00 H new ATOM 1307 N PRO X 89 79.361 9.426 7.997 1.00 0.00 N ATOM 1308 CA PRO X 89 78.497 8.878 9.037 1.00 0.00 C ATOM 1309 C PRO X 89 77.503 7.917 8.419 1.00 0.00 C ATOM 1310 O PRO X 89 76.776 8.280 7.478 1.00 0.00 O ATOM 1311 CB PRO X 89 77.760 10.094 9.610 1.00 0.00 C ATOM 1312 CG PRO X 89 78.435 11.294 9.038 1.00 0.00 C ATOM 1313 CD PRO X 89 79.122 10.860 7.781 1.00 0.00 C ATOM 0 HA PRO X 89 79.053 8.333 9.800 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.705 10.074 9.338 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.808 10.102 10.699 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.709 12.080 8.828 1.00 0.00 H new ATOM 0 HG3 PRO X 89 79.154 11.705 9.747 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.500 11.035 6.903 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.054 11.403 7.625 1.00 0.00 H new ATOM 1321 N GLY X 90 77.506 6.700 8.883 1.00 0.00 N ATOM 1322 CA GLY X 90 76.633 5.713 8.328 1.00 0.00 C ATOM 1323 C GLY X 90 75.374 5.538 9.105 1.00 0.00 C ATOM 1324 O GLY X 90 74.702 6.522 9.454 1.00 0.00 O ATOM 0 H GLY X 90 78.102 6.371 9.642 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.384 5.992 7.304 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.158 4.759 8.280 1.00 0.00 H new ATOM 1328 N PHE X 91 75.089 4.309 9.423 1.00 0.00 N ATOM 1329 CA PHE X 91 73.857 3.935 10.073 1.00 0.00 C ATOM 1330 C PHE X 91 73.917 4.255 11.542 1.00 0.00 C ATOM 1331 O PHE X 91 75.013 4.420 12.118 1.00 0.00 O ATOM 1332 CB PHE X 91 73.606 2.434 9.904 1.00 0.00 C ATOM 1333 CG PHE X 91 73.724 1.962 8.494 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.915 2.482 7.504 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.665 1.004 8.149 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.041 2.053 6.212 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.784 0.582 6.847 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.970 1.105 5.883 1.00 0.00 C ATOM 0 H PHE X 91 75.712 3.523 9.237 1.00 0.00 H new ATOM 0 HA PHE X 91 73.046 4.499 9.612 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.315 1.884 10.523 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.609 2.197 10.275 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.178 3.232 7.751 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.309 0.587 8.909 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.402 2.466 5.445 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.521 -0.163 6.586 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.060 0.770 4.860 1.00 0.00 H new ATOM 1348 N LYS X 92 72.778 4.385 12.139 1.00 0.00 N ATOM 1349 CA LYS X 92 72.681 4.602 13.498 1.00 0.00 C ATOM 1350 C LYS X 92 72.308 3.297 14.172 1.00 0.00 C ATOM 1351 O LYS X 92 72.056 2.282 13.511 1.00 0.00 O ATOM 1352 CB LYS X 92 71.657 5.680 13.776 1.00 0.00 C ATOM 1353 CG LYS X 92 70.236 5.235 13.927 1.00 0.00 C ATOM 1354 CD LYS X 92 69.390 6.357 14.475 1.00 0.00 C ATOM 1355 CE LYS X 92 68.019 5.859 14.785 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.098 6.944 15.214 1.00 0.00 N ATOM 0 H LYS X 92 71.879 4.338 11.659 1.00 0.00 H new ATOM 0 HA LYS X 92 73.636 4.944 13.897 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.949 6.200 14.688 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.701 6.408 12.966 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.844 4.913 12.962 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.187 4.374 14.594 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.850 6.764 15.376 1.00 0.00 H new ATOM 0 HD3 LYS X 92 69.335 7.169 13.750 1.00 0.00 H new ATOM 0 HE2 LYS X 92 67.608 5.366 13.904 1.00 0.00 H new ATOM 0 HE3 LYS X 92 68.079 5.107 15.572 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 66.175 6.536 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.498 7.432 16.041 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 66.976 7.624 14.436 1.00 0.00 H new ATOM 1370 N GLN X 93 72.276 3.327 15.440 1.00 0.00 N ATOM 1371 CA GLN X 93 71.952 2.218 16.231 1.00 0.00 C ATOM 1372 C GLN X 93 70.556 2.425 16.774 1.00 0.00 C ATOM 1373 O GLN X 93 70.164 3.558 17.077 1.00 0.00 O ATOM 1374 CB GLN X 93 72.947 2.129 17.365 1.00 0.00 C ATOM 1375 CG GLN X 93 74.344 1.570 17.002 1.00 0.00 C ATOM 1376 CD GLN X 93 75.209 2.462 16.093 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.112 3.767 16.233 1.00 0.00 O flip ATOM 1378 NE2 GLN X 93 75.998 1.963 15.297 1.00 0.00 N flip ATOM 0 H GLN X 93 72.485 4.166 15.981 1.00 0.00 H new ATOM 0 HA GLN X 93 71.987 1.295 15.653 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.075 3.125 17.788 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.520 1.503 18.148 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.892 1.386 17.926 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.212 0.605 16.513 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.057 0.949 15.205 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.595 2.562 14.727 1.00 0.00 H new ATOM 1387 N GLY X 94 69.828 1.375 16.885 1.00 0.00 N ATOM 1388 CA GLY X 94 68.478 1.439 17.339 1.00 0.00 C ATOM 1389 C GLY X 94 67.799 0.163 16.987 1.00 0.00 C ATOM 1390 O GLY X 94 68.488 -0.874 16.965 1.00 0.00 O ATOM 1391 OXT GLY X 94 66.594 0.158 16.685 1.00 0.00 O ATOM 0 H GLY X 94 70.151 0.434 16.662 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.448 1.599 18.417 1.00 0.00 H new ATOM 0 HA3 GLY X 94 67.963 2.282 16.878 1.00 0.00 H new