USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=16 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 -171:sc= -0.0532 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.058 K(o=-0.11,f=-5.8!) USER MOD Single : X 4 LYS NZ :NH3+ 165:sc= 0.0359 (180deg=0.0112) USER MOD Single : X 5 ASN : amide:sc= -0.0777 K(o=-0.078,f=-2.1!) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot -23:sc= 1.04 USER MOD Single : X 11 THR OG1 : rot 120:sc= 0.419 USER MOD Single : X 17 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.7) USER MOD Single : X 20 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.15) USER MOD Single : X 24 LYS NZ :NH3+ -132:sc= 0.266 (180deg=-0.0422) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : X 30 THR OG1 : rot 103:sc= -2.46 USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -98:sc= 0.464 USER MOD Single : X 47 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-5.1!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : X 77 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.16) USER MOD Single : X 80 LYS NZ :NH3+ 166:sc= -0.013 (180deg=-0.188) USER MOD Single : X 86 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.4!) USER MOD Single : X 88 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00391) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN :FLIP amide:sc= -0.165 F(o=-0.72,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 61.277 2.006 8.221 1.00 0.00 N ATOM 2 CA GLU X 2 60.705 3.317 7.917 1.00 0.00 C ATOM 3 C GLU X 2 61.699 4.128 7.125 1.00 0.00 C ATOM 4 O GLU X 2 62.905 3.923 7.255 1.00 0.00 O ATOM 5 CB GLU X 2 60.364 4.073 9.192 1.00 0.00 C ATOM 6 CG GLU X 2 59.325 3.420 10.074 1.00 0.00 C ATOM 7 CD GLU X 2 59.012 4.270 11.277 1.00 0.00 C ATOM 8 OE1 GLU X 2 58.294 5.276 11.132 1.00 0.00 O ATOM 9 OE2 GLU X 2 59.504 3.971 12.392 1.00 0.00 O ATOM 0 HA GLU X 2 59.792 3.164 7.342 1.00 0.00 H new ATOM 0 HB2 GLU X 2 61.278 4.204 9.772 1.00 0.00 H new ATOM 0 HB3 GLU X 2 60.012 5.069 8.921 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.414 3.249 9.500 1.00 0.00 H new ATOM 0 HG3 GLU X 2 59.684 2.444 10.400 1.00 0.00 H new ATOM 16 N LEU X 3 61.206 5.065 6.334 1.00 0.00 N ATOM 17 CA LEU X 3 62.066 5.858 5.485 1.00 0.00 C ATOM 18 C LEU X 3 62.493 7.124 6.194 1.00 0.00 C ATOM 19 O LEU X 3 61.661 7.886 6.698 1.00 0.00 O ATOM 20 CB LEU X 3 61.370 6.186 4.154 1.00 0.00 C ATOM 21 CG LEU X 3 60.848 4.981 3.358 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.437 5.382 1.945 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.875 3.869 3.339 1.00 0.00 C ATOM 0 H LEU X 3 60.214 5.292 6.265 1.00 0.00 H new ATOM 0 HA LEU X 3 62.958 5.273 5.263 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.532 6.853 4.358 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.070 6.737 3.526 1.00 0.00 H new ATOM 0 HG LEU X 3 59.955 4.608 3.860 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.072 4.505 1.410 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.647 6.131 1.995 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.297 5.796 1.420 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.486 3.024 2.770 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.792 4.229 2.873 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.087 3.552 4.360 1.00 0.00 H new ATOM 35 N LYS X 4 63.777 7.348 6.218 1.00 0.00 N ATOM 36 CA LYS X 4 64.364 8.455 6.926 1.00 0.00 C ATOM 37 C LYS X 4 64.758 9.571 5.972 1.00 0.00 C ATOM 38 O LYS X 4 64.558 9.472 4.773 1.00 0.00 O ATOM 39 CB LYS X 4 65.607 7.981 7.686 1.00 0.00 C ATOM 40 CG LYS X 4 65.411 6.744 8.549 1.00 0.00 C ATOM 41 CD LYS X 4 64.166 6.846 9.328 1.00 0.00 C ATOM 42 CE LYS X 4 64.210 6.005 10.563 1.00 0.00 C ATOM 43 NZ LYS X 4 63.052 6.282 11.418 1.00 0.00 N ATOM 0 H LYS X 4 64.457 6.758 5.739 1.00 0.00 H new ATOM 0 HA LYS X 4 63.622 8.841 7.625 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.398 7.778 6.964 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.956 8.795 8.321 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.380 5.856 7.918 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.259 6.627 9.223 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.994 7.887 9.603 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.324 6.537 8.709 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.223 4.950 10.290 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.130 6.204 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 62.958 5.529 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 63.184 7.196 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.191 6.317 10.836 1.00 0.00 H new ATOM 57 N ASN X 5 65.307 10.636 6.513 1.00 0.00 N ATOM 58 CA ASN X 5 65.763 11.756 5.689 1.00 0.00 C ATOM 59 C ASN X 5 67.246 11.617 5.412 1.00 0.00 C ATOM 60 O ASN X 5 67.765 12.136 4.419 1.00 0.00 O ATOM 61 CB ASN X 5 65.496 13.127 6.354 1.00 0.00 C ATOM 62 CG ASN X 5 64.025 13.433 6.617 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.220 12.546 6.901 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.657 14.682 6.505 1.00 0.00 N ATOM 0 H ASN X 5 65.452 10.759 7.515 1.00 0.00 H new ATOM 0 HA ASN X 5 65.195 11.723 4.759 1.00 0.00 H new ATOM 0 HB2 ASN X 5 66.036 13.168 7.300 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.908 13.910 5.718 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.682 14.942 6.654 1.00 0.00 H new ATOM 0 HD22 ASN X 5 64.345 15.397 6.269 1.00 0.00 H new ATOM 71 N SER X 6 67.925 10.914 6.294 1.00 0.00 N ATOM 72 CA SER X 6 69.333 10.675 6.168 1.00 0.00 C ATOM 73 C SER X 6 69.666 9.260 6.623 1.00 0.00 C ATOM 74 O SER X 6 68.880 8.632 7.346 1.00 0.00 O ATOM 75 CB SER X 6 70.127 11.711 6.968 1.00 0.00 C ATOM 76 OG SER X 6 69.674 11.770 8.319 1.00 0.00 O ATOM 0 H SER X 6 67.505 10.492 7.122 1.00 0.00 H new ATOM 0 HA SER X 6 69.615 10.774 5.120 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.187 11.458 6.947 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.024 12.691 6.503 1.00 0.00 H new ATOM 0 HG SER X 6 70.197 12.437 8.811 1.00 0.00 H new ATOM 82 N ILE X 7 70.838 8.792 6.241 1.00 0.00 N ATOM 83 CA ILE X 7 71.309 7.432 6.509 1.00 0.00 C ATOM 84 C ILE X 7 71.552 7.207 8.025 1.00 0.00 C ATOM 85 O ILE X 7 71.554 6.087 8.505 1.00 0.00 O ATOM 86 CB ILE X 7 72.626 7.164 5.691 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.020 5.674 5.678 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.785 8.024 6.202 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.265 5.377 4.870 1.00 0.00 C ATOM 0 H ILE X 7 71.512 9.355 5.722 1.00 0.00 H new ATOM 0 HA ILE X 7 70.538 6.728 6.195 1.00 0.00 H new ATOM 0 HB ILE X 7 72.412 7.450 4.661 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.176 5.340 6.704 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.190 5.092 5.276 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.680 7.815 5.616 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.526 9.078 6.105 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.976 7.792 7.250 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.478 4.309 4.909 1.00 0.00 H new ATOM 0 HD12 ILE X 7 74.107 5.678 3.834 1.00 0.00 H new ATOM 0 HD13 ILE X 7 75.108 5.930 5.284 1.00 0.00 H new ATOM 101 N SER X 8 71.668 8.289 8.766 1.00 0.00 N ATOM 102 CA SER X 8 72.005 8.215 10.166 1.00 0.00 C ATOM 103 C SER X 8 70.793 8.024 11.094 1.00 0.00 C ATOM 104 O SER X 8 70.952 7.887 12.304 1.00 0.00 O ATOM 105 CB SER X 8 72.862 9.412 10.553 1.00 0.00 C ATOM 106 OG SER X 8 74.121 9.346 9.873 1.00 0.00 O ATOM 0 H SER X 8 71.532 9.237 8.415 1.00 0.00 H new ATOM 0 HA SER X 8 72.589 7.306 10.311 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.347 10.338 10.296 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.021 9.424 11.631 1.00 0.00 H new ATOM 0 HG SER X 8 74.307 8.418 9.618 1.00 0.00 H new ATOM 112 N ASP X 9 69.590 8.011 10.542 1.00 0.00 N ATOM 113 CA ASP X 9 68.409 7.683 11.363 1.00 0.00 C ATOM 114 C ASP X 9 68.014 6.266 11.025 1.00 0.00 C ATOM 115 O ASP X 9 67.050 5.713 11.529 1.00 0.00 O ATOM 116 CB ASP X 9 67.227 8.633 11.105 1.00 0.00 C ATOM 117 CG ASP X 9 66.105 8.527 12.147 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.385 8.333 13.348 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.917 8.702 11.789 1.00 0.00 O ATOM 0 H ASP X 9 69.396 8.215 9.562 1.00 0.00 H new ATOM 0 HA ASP X 9 68.664 7.793 12.417 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.596 9.659 11.085 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.814 8.424 10.118 1.00 0.00 H new ATOM 124 N TYR X 10 68.825 5.668 10.202 1.00 0.00 N ATOM 125 CA TYR X 10 68.597 4.345 9.724 1.00 0.00 C ATOM 126 C TYR X 10 69.418 3.408 10.520 1.00 0.00 C ATOM 127 O TYR X 10 70.628 3.576 10.600 1.00 0.00 O ATOM 128 CB TYR X 10 69.002 4.180 8.238 1.00 0.00 C ATOM 129 CG TYR X 10 67.925 4.446 7.218 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.954 3.494 6.973 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.892 5.615 6.481 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.971 3.692 6.035 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.903 5.825 5.534 1.00 0.00 C ATOM 134 CZ TYR X 10 65.949 4.855 5.321 1.00 0.00 C ATOM 135 OH TYR X 10 64.949 5.067 4.420 1.00 0.00 O ATOM 0 H TYR X 10 69.677 6.098 9.841 1.00 0.00 H new ATOM 0 HA TYR X 10 67.531 4.140 9.817 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.838 4.849 8.035 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.366 3.163 8.094 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.969 2.571 7.533 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.645 6.372 6.645 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.221 2.934 5.864 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.880 6.744 4.966 1.00 0.00 H new ATOM 0 HH TYR X 10 65.151 5.866 3.889 1.00 0.00 H new ATOM 145 N THR X 11 68.794 2.476 11.161 1.00 0.00 N ATOM 146 CA THR X 11 69.524 1.421 11.767 1.00 0.00 C ATOM 147 C THR X 11 69.852 0.485 10.626 1.00 0.00 C ATOM 148 O THR X 11 69.279 0.646 9.522 1.00 0.00 O ATOM 149 CB THR X 11 68.670 0.672 12.828 1.00 0.00 C ATOM 150 OG1 THR X 11 67.531 0.079 12.207 1.00 0.00 O ATOM 151 CG2 THR X 11 68.189 1.620 13.910 1.00 0.00 C ATOM 0 H THR X 11 67.782 2.426 11.277 1.00 0.00 H new ATOM 0 HA THR X 11 70.406 1.793 12.287 1.00 0.00 H new ATOM 0 HB THR X 11 69.299 -0.096 13.278 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.555 -0.892 12.339 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.594 1.069 14.638 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.048 2.069 14.408 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.579 2.404 13.462 1.00 0.00 H new ATOM 159 N GLU X 12 70.734 -0.451 10.822 1.00 0.00 N ATOM 160 CA GLU X 12 71.011 -1.392 9.770 1.00 0.00 C ATOM 161 C GLU X 12 69.733 -2.123 9.310 1.00 0.00 C ATOM 162 O GLU X 12 69.481 -2.213 8.125 1.00 0.00 O ATOM 163 CB GLU X 12 72.142 -2.345 10.138 1.00 0.00 C ATOM 164 CG GLU X 12 72.032 -2.961 11.516 1.00 0.00 C ATOM 165 CD GLU X 12 73.081 -4.001 11.743 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.225 -3.644 12.061 1.00 0.00 O ATOM 167 OE2 GLU X 12 72.787 -5.204 11.577 1.00 0.00 O ATOM 0 H GLU X 12 71.266 -0.585 11.682 1.00 0.00 H new ATOM 0 HA GLU X 12 71.367 -0.825 8.910 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.178 -3.146 9.400 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.088 -1.807 10.071 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.124 -2.181 12.272 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.045 -3.407 11.637 1.00 0.00 H new ATOM 174 N ALA X 13 68.888 -2.538 10.245 1.00 0.00 N ATOM 175 CA ALA X 13 67.632 -3.204 9.894 1.00 0.00 C ATOM 176 C ALA X 13 66.627 -2.235 9.252 1.00 0.00 C ATOM 177 O ALA X 13 65.913 -2.619 8.339 1.00 0.00 O ATOM 178 CB ALA X 13 67.025 -3.924 11.075 1.00 0.00 C ATOM 0 H ALA X 13 69.044 -2.428 11.247 1.00 0.00 H new ATOM 0 HA ALA X 13 67.877 -3.958 9.146 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.095 -4.404 10.770 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.721 -4.680 11.437 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.820 -3.208 11.871 1.00 0.00 H new ATOM 184 N GLU X 14 66.560 -0.986 9.737 1.00 0.00 N ATOM 185 CA GLU X 14 65.705 0.034 9.099 1.00 0.00 C ATOM 186 C GLU X 14 66.113 0.229 7.675 1.00 0.00 C ATOM 187 O GLU X 14 65.276 0.401 6.785 1.00 0.00 O ATOM 188 CB GLU X 14 65.771 1.373 9.830 1.00 0.00 C ATOM 189 CG GLU X 14 64.929 1.410 11.078 1.00 0.00 C ATOM 190 CD GLU X 14 63.479 1.180 10.763 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.793 2.137 10.374 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.991 0.044 10.908 1.00 0.00 O ATOM 0 H GLU X 14 67.076 -0.659 10.554 1.00 0.00 H new ATOM 0 HA GLU X 14 64.678 -0.329 9.147 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.807 1.586 10.092 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.444 2.164 9.155 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.277 0.649 11.777 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.048 2.375 11.571 1.00 0.00 H new ATOM 199 N PHE X 15 67.396 0.173 7.452 1.00 0.00 N ATOM 200 CA PHE X 15 67.911 0.343 6.154 1.00 0.00 C ATOM 201 C PHE X 15 67.624 -0.891 5.327 1.00 0.00 C ATOM 202 O PHE X 15 67.207 -0.769 4.189 1.00 0.00 O ATOM 203 CB PHE X 15 69.390 0.658 6.199 1.00 0.00 C ATOM 204 CG PHE X 15 69.912 1.255 4.934 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.602 2.555 4.593 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.731 0.538 4.107 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.101 3.114 3.444 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.231 1.088 2.957 1.00 0.00 C ATOM 209 CZ PHE X 15 70.914 2.378 2.629 1.00 0.00 C ATOM 0 H PHE X 15 68.099 0.008 8.173 1.00 0.00 H new ATOM 0 HA PHE X 15 67.419 1.193 5.681 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.582 1.346 7.022 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.942 -0.257 6.414 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.960 3.138 5.237 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.988 -0.479 4.365 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.852 4.132 3.184 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.873 0.506 2.312 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.307 2.816 1.723 1.00 0.00 H new ATOM 219 N VAL X 16 67.811 -2.093 5.911 1.00 0.00 N ATOM 220 CA VAL X 16 67.514 -3.320 5.180 1.00 0.00 C ATOM 221 C VAL X 16 66.037 -3.402 4.832 1.00 0.00 C ATOM 222 O VAL X 16 65.686 -4.002 3.852 1.00 0.00 O ATOM 223 CB VAL X 16 67.977 -4.658 5.850 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.378 -4.631 6.354 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.010 -5.212 6.848 1.00 0.00 C ATOM 0 H VAL X 16 68.157 -2.229 6.861 1.00 0.00 H new ATOM 0 HA VAL X 16 68.122 -3.234 4.280 1.00 0.00 H new ATOM 0 HB VAL X 16 67.979 -5.373 5.027 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.622 -5.594 6.803 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.059 -4.434 5.526 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.480 -3.845 7.102 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.407 -6.138 7.264 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.860 -4.489 7.650 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.057 -5.413 6.358 1.00 0.00 H new ATOM 235 N GLN X 17 65.186 -2.794 5.656 1.00 0.00 N ATOM 236 CA GLN X 17 63.781 -2.720 5.413 1.00 0.00 C ATOM 237 C GLN X 17 63.543 -1.972 4.110 1.00 0.00 C ATOM 238 O GLN X 17 62.814 -2.447 3.245 1.00 0.00 O ATOM 239 CB GLN X 17 63.111 -2.054 6.630 1.00 0.00 C ATOM 240 CG GLN X 17 61.611 -1.981 6.579 1.00 0.00 C ATOM 241 CD GLN X 17 61.066 -0.749 5.861 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.669 0.333 5.895 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.943 -0.899 5.211 1.00 0.00 N ATOM 0 H GLN X 17 65.477 -2.337 6.520 1.00 0.00 H new ATOM 0 HA GLN X 17 63.336 -3.708 5.296 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.401 -2.600 7.527 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.504 -1.042 6.732 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.232 -2.874 6.082 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.223 -1.995 7.598 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.474 -1.805 5.205 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.535 -0.110 4.709 1.00 0.00 H new ATOM 252 N LEU X 18 64.220 -0.845 3.954 1.00 0.00 N ATOM 253 CA LEU X 18 64.169 -0.074 2.715 1.00 0.00 C ATOM 254 C LEU X 18 64.693 -0.902 1.579 1.00 0.00 C ATOM 255 O LEU X 18 64.081 -0.998 0.545 1.00 0.00 O ATOM 256 CB LEU X 18 65.041 1.168 2.834 1.00 0.00 C ATOM 257 CG LEU X 18 65.323 1.931 1.521 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.087 2.567 0.934 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.429 2.936 1.700 1.00 0.00 C ATOM 0 H LEU X 18 64.817 -0.439 4.675 1.00 0.00 H new ATOM 0 HA LEU X 18 63.133 0.212 2.532 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.565 1.855 3.534 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.995 0.876 3.272 1.00 0.00 H new ATOM 0 HG LEU X 18 65.656 1.188 0.797 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.348 3.088 0.013 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.349 1.795 0.717 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.670 3.278 1.647 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.604 3.456 0.758 1.00 0.00 H new ATOM 0 HD22 LEU X 18 66.145 3.657 2.466 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.341 2.423 2.006 1.00 0.00 H new ATOM 271 N LEU X 19 65.809 -1.512 1.822 1.00 0.00 N ATOM 272 CA LEU X 19 66.498 -2.357 0.873 1.00 0.00 C ATOM 273 C LEU X 19 65.634 -3.511 0.402 1.00 0.00 C ATOM 274 O LEU X 19 65.651 -3.873 -0.773 1.00 0.00 O ATOM 275 CB LEU X 19 67.722 -2.853 1.545 1.00 0.00 C ATOM 276 CG LEU X 19 68.715 -1.764 1.904 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.970 -2.334 2.382 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.960 -0.816 0.769 1.00 0.00 C ATOM 0 H LEU X 19 66.291 -1.439 2.718 1.00 0.00 H new ATOM 0 HA LEU X 19 66.745 -1.785 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.436 -3.383 2.454 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.213 -3.577 0.895 1.00 0.00 H new ATOM 0 HG LEU X 19 68.267 -1.186 2.712 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.663 -1.530 2.632 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.781 -2.939 3.269 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.406 -2.959 1.603 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.678 -0.056 1.078 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.358 -1.365 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.023 -0.336 0.487 1.00 0.00 H new ATOM 290 N LYS X 20 64.866 -4.070 1.315 1.00 0.00 N ATOM 291 CA LYS X 20 63.932 -5.120 0.999 1.00 0.00 C ATOM 292 C LYS X 20 62.772 -4.579 0.222 1.00 0.00 C ATOM 293 O LYS X 20 62.216 -5.254 -0.615 1.00 0.00 O ATOM 294 CB LYS X 20 63.409 -5.824 2.225 1.00 0.00 C ATOM 295 CG LYS X 20 64.445 -6.645 2.980 1.00 0.00 C ATOM 296 CD LYS X 20 63.811 -7.398 4.148 1.00 0.00 C ATOM 297 CE LYS X 20 64.839 -8.194 4.955 1.00 0.00 C ATOM 298 NZ LYS X 20 65.412 -9.349 4.214 1.00 0.00 N ATOM 0 H LYS X 20 64.876 -3.804 2.300 1.00 0.00 H new ATOM 0 HA LYS X 20 64.483 -5.846 0.401 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.991 -5.080 2.903 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.591 -6.481 1.929 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.916 -7.354 2.300 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.232 -5.989 3.352 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.308 -6.688 4.805 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.047 -8.076 3.768 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.648 -7.528 5.255 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.369 -8.556 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 66.035 -9.892 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.642 -9.961 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.960 -9.002 3.401 1.00 0.00 H new ATOM 312 N GLU X 21 62.377 -3.379 0.521 1.00 0.00 N ATOM 313 CA GLU X 21 61.319 -2.768 -0.220 1.00 0.00 C ATOM 314 C GLU X 21 61.788 -2.377 -1.608 1.00 0.00 C ATOM 315 O GLU X 21 61.014 -2.412 -2.565 1.00 0.00 O ATOM 316 CB GLU X 21 60.668 -1.627 0.526 1.00 0.00 C ATOM 317 CG GLU X 21 59.992 -2.074 1.809 1.00 0.00 C ATOM 318 CD GLU X 21 59.069 -3.259 1.593 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.033 -3.122 0.902 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.335 -4.345 2.135 1.00 0.00 O ATOM 0 H GLU X 21 62.769 -2.807 1.269 1.00 0.00 H new ATOM 0 HA GLU X 21 60.532 -3.512 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.422 -0.875 0.760 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.932 -1.149 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.752 -2.338 2.544 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.422 -1.243 2.225 1.00 0.00 H new ATOM 327 N ILE X 22 63.059 -2.026 -1.724 1.00 0.00 N ATOM 328 CA ILE X 22 63.654 -1.806 -3.021 1.00 0.00 C ATOM 329 C ILE X 22 63.610 -3.119 -3.784 1.00 0.00 C ATOM 330 O ILE X 22 63.267 -3.157 -4.949 1.00 0.00 O ATOM 331 CB ILE X 22 65.113 -1.324 -2.920 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.191 -0.051 -2.087 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.654 -1.075 -4.310 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.585 0.492 -1.896 1.00 0.00 C ATOM 0 H ILE X 22 63.692 -1.889 -0.936 1.00 0.00 H new ATOM 0 HA ILE X 22 63.092 -1.025 -3.533 1.00 0.00 H new ATOM 0 HB ILE X 22 65.714 -2.091 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.579 0.716 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.754 -0.246 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.687 -0.734 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.614 -1.999 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE X 22 65.051 -0.313 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.543 1.398 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.200 -0.253 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE X 22 67.021 0.724 -2.868 1.00 0.00 H new ATOM 346 N GLU X 23 63.926 -4.190 -3.079 1.00 0.00 N ATOM 347 CA GLU X 23 63.833 -5.543 -3.590 1.00 0.00 C ATOM 348 C GLU X 23 62.400 -5.843 -4.037 1.00 0.00 C ATOM 349 O GLU X 23 62.183 -6.324 -5.139 1.00 0.00 O ATOM 350 CB GLU X 23 64.312 -6.526 -2.497 1.00 0.00 C ATOM 351 CG GLU X 23 63.548 -7.840 -2.414 1.00 0.00 C ATOM 352 CD GLU X 23 64.113 -8.778 -1.404 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.111 -9.445 -1.712 1.00 0.00 O ATOM 354 OE2 GLU X 23 63.549 -8.902 -0.284 1.00 0.00 O ATOM 0 H GLU X 23 64.261 -4.141 -2.117 1.00 0.00 H new ATOM 0 HA GLU X 23 64.473 -5.659 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.365 -6.749 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.247 -6.027 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU X 23 62.506 -7.634 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU X 23 63.555 -8.321 -3.392 1.00 0.00 H new ATOM 361 N LYS X 24 61.452 -5.447 -3.210 1.00 0.00 N ATOM 362 CA LYS X 24 60.030 -5.666 -3.425 1.00 0.00 C ATOM 363 C LYS X 24 59.604 -5.011 -4.739 1.00 0.00 C ATOM 364 O LYS X 24 58.970 -5.639 -5.592 1.00 0.00 O ATOM 365 CB LYS X 24 59.273 -4.993 -2.265 1.00 0.00 C ATOM 366 CG LYS X 24 57.782 -5.282 -2.173 1.00 0.00 C ATOM 367 CD LYS X 24 57.496 -6.689 -1.668 1.00 0.00 C ATOM 368 CE LYS X 24 58.050 -6.917 -0.257 1.00 0.00 C ATOM 369 NZ LYS X 24 57.518 -5.945 0.734 1.00 0.00 N ATOM 0 H LYS X 24 61.653 -4.949 -2.343 1.00 0.00 H new ATOM 0 HA LYS X 24 59.812 -6.733 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.739 -5.300 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.408 -3.915 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.314 -4.557 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.328 -5.152 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.420 -6.862 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.935 -7.416 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS X 24 57.805 -7.929 0.066 1.00 0.00 H new ATOM 0 HE3 LYS X 24 59.137 -6.845 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 58.303 -5.553 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.029 -5.174 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.849 -6.427 1.368 1.00 0.00 H new ATOM 383 N GLU X 25 59.994 -3.772 -4.913 1.00 0.00 N ATOM 384 CA GLU X 25 59.640 -3.020 -6.082 1.00 0.00 C ATOM 385 C GLU X 25 60.490 -3.400 -7.299 1.00 0.00 C ATOM 386 O GLU X 25 60.045 -3.270 -8.428 1.00 0.00 O ATOM 387 CB GLU X 25 59.745 -1.535 -5.787 1.00 0.00 C ATOM 388 CG GLU X 25 58.817 -1.063 -4.679 1.00 0.00 C ATOM 389 CD GLU X 25 57.356 -1.252 -5.008 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.769 -0.383 -5.682 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.758 -2.257 -4.588 1.00 0.00 O ATOM 0 H GLU X 25 60.567 -3.259 -4.243 1.00 0.00 H new ATOM 0 HA GLU X 25 58.609 -3.264 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.773 -1.300 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.523 -0.977 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.050 -1.606 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU X 25 59.005 -0.008 -4.481 1.00 0.00 H new ATOM 398 N ASN X 26 61.698 -3.881 -7.071 1.00 0.00 N ATOM 399 CA ASN X 26 62.587 -4.250 -8.177 1.00 0.00 C ATOM 400 C ASN X 26 62.241 -5.614 -8.748 1.00 0.00 C ATOM 401 O ASN X 26 62.211 -5.786 -9.963 1.00 0.00 O ATOM 402 CB ASN X 26 64.073 -4.199 -7.770 1.00 0.00 C ATOM 403 CG ASN X 26 65.021 -4.536 -8.923 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.389 -5.692 -9.134 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.421 -3.537 -9.672 1.00 0.00 N ATOM 0 H ASN X 26 62.091 -4.028 -6.141 1.00 0.00 H new ATOM 0 HA ASN X 26 62.429 -3.505 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.307 -3.203 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.244 -4.897 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.054 -3.707 -10.454 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.099 -2.590 -9.473 1.00 0.00 H new ATOM 412 N VAL X 27 61.933 -6.578 -7.886 1.00 0.00 N ATOM 413 CA VAL X 27 61.608 -7.931 -8.359 1.00 0.00 C ATOM 414 C VAL X 27 60.259 -7.975 -9.070 1.00 0.00 C ATOM 415 O VAL X 27 59.980 -8.901 -9.838 1.00 0.00 O ATOM 416 CB VAL X 27 61.670 -9.024 -7.245 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.063 -9.103 -6.638 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.616 -8.798 -6.162 1.00 0.00 C ATOM 0 H VAL X 27 61.900 -6.458 -6.874 1.00 0.00 H new ATOM 0 HA VAL X 27 62.393 -8.173 -9.075 1.00 0.00 H new ATOM 0 HB VAL X 27 61.447 -9.980 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.080 -9.871 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.785 -9.354 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.323 -8.140 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.695 -9.581 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.777 -7.827 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.623 -8.825 -6.610 1.00 0.00 H new ATOM 428 N ALA X 28 59.423 -6.994 -8.802 1.00 0.00 N ATOM 429 CA ALA X 28 58.149 -6.877 -9.485 1.00 0.00 C ATOM 430 C ALA X 28 58.260 -5.858 -10.613 1.00 0.00 C ATOM 431 O ALA X 28 57.446 -5.845 -11.530 1.00 0.00 O ATOM 432 CB ALA X 28 57.059 -6.471 -8.507 1.00 0.00 C ATOM 0 H ALA X 28 59.602 -6.263 -8.114 1.00 0.00 H new ATOM 0 HA ALA X 28 57.884 -7.845 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.109 -6.387 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.974 -7.224 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.311 -5.510 -8.060 1.00 0.00 H new ATOM 438 N ALA X 29 59.315 -5.047 -10.540 1.00 0.00 N ATOM 439 CA ALA X 29 59.596 -3.949 -11.459 1.00 0.00 C ATOM 440 C ALA X 29 58.453 -2.963 -11.528 1.00 0.00 C ATOM 441 O ALA X 29 57.634 -2.990 -12.458 1.00 0.00 O ATOM 442 CB ALA X 29 60.017 -4.419 -12.841 1.00 0.00 C ATOM 0 H ALA X 29 60.023 -5.142 -9.811 1.00 0.00 H new ATOM 0 HA ALA X 29 60.456 -3.425 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.211 -3.554 -13.476 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.922 -5.021 -12.761 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.220 -5.019 -13.280 1.00 0.00 H new ATOM 448 N THR X 30 58.345 -2.153 -10.514 1.00 0.00 N ATOM 449 CA THR X 30 57.331 -1.139 -10.457 1.00 0.00 C ATOM 450 C THR X 30 57.947 0.157 -10.939 1.00 0.00 C ATOM 451 O THR X 30 59.063 0.142 -11.491 1.00 0.00 O ATOM 452 CB THR X 30 56.808 -0.982 -9.013 1.00 0.00 C ATOM 453 OG1 THR X 30 57.856 -0.540 -8.152 1.00 0.00 O ATOM 454 CG2 THR X 30 56.308 -2.306 -8.503 1.00 0.00 C ATOM 0 H THR X 30 58.960 -2.177 -9.701 1.00 0.00 H new ATOM 0 HA THR X 30 56.485 -1.413 -11.087 1.00 0.00 H new ATOM 0 HB THR X 30 56.001 -0.250 -9.021 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.746 0.416 -7.967 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.940 -2.188 -7.484 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.499 -2.660 -9.142 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.122 -3.031 -8.514 1.00 0.00 H new ATOM 462 N ASP X 31 57.276 1.263 -10.765 1.00 0.00 N ATOM 463 CA ASP X 31 57.856 2.506 -11.201 1.00 0.00 C ATOM 464 C ASP X 31 57.717 3.609 -10.182 1.00 0.00 C ATOM 465 O ASP X 31 58.689 4.299 -9.903 1.00 0.00 O ATOM 466 CB ASP X 31 57.376 2.939 -12.604 1.00 0.00 C ATOM 467 CG ASP X 31 55.897 3.291 -12.702 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.064 2.385 -12.929 1.00 0.00 O ATOM 469 OD2 ASP X 31 55.547 4.500 -12.606 1.00 0.00 O ATOM 0 H ASP X 31 56.353 1.332 -10.337 1.00 0.00 H new ATOM 0 HA ASP X 31 58.924 2.310 -11.294 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.961 3.803 -12.920 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.589 2.135 -13.308 1.00 0.00 H new ATOM 474 N ASP X 32 56.553 3.732 -9.573 1.00 0.00 N ATOM 475 CA ASP X 32 56.300 4.836 -8.633 1.00 0.00 C ATOM 476 C ASP X 32 57.154 4.771 -7.415 1.00 0.00 C ATOM 477 O ASP X 32 57.858 5.727 -7.104 1.00 0.00 O ATOM 478 CB ASP X 32 54.822 4.967 -8.268 1.00 0.00 C ATOM 479 CG ASP X 32 54.550 6.117 -7.310 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.408 7.274 -7.767 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.445 5.884 -6.091 1.00 0.00 O ATOM 0 H ASP X 32 55.767 3.094 -9.702 1.00 0.00 H new ATOM 0 HA ASP X 32 56.584 5.742 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.240 5.113 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.480 4.036 -7.816 1.00 0.00 H new ATOM 486 N VAL X 33 57.148 3.663 -6.753 1.00 0.00 N ATOM 487 CA VAL X 33 57.902 3.540 -5.565 1.00 0.00 C ATOM 488 C VAL X 33 59.302 3.110 -5.872 1.00 0.00 C ATOM 489 O VAL X 33 60.235 3.489 -5.183 1.00 0.00 O ATOM 490 CB VAL X 33 57.214 2.624 -4.559 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.093 2.369 -3.409 1.00 0.00 C ATOM 492 CG2 VAL X 33 56.025 3.316 -4.065 1.00 0.00 C ATOM 0 H VAL X 33 56.625 2.830 -7.021 1.00 0.00 H new ATOM 0 HA VAL X 33 57.963 4.520 -5.092 1.00 0.00 H new ATOM 0 HB VAL X 33 56.966 1.679 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.585 1.713 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL X 33 59.011 1.892 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.335 3.313 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.510 2.684 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.320 4.250 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.357 3.531 -4.899 1.00 0.00 H new ATOM 502 N LEU X 34 59.451 2.420 -6.966 1.00 0.00 N ATOM 503 CA LEU X 34 60.736 1.953 -7.410 1.00 0.00 C ATOM 504 C LEU X 34 61.639 3.156 -7.603 1.00 0.00 C ATOM 505 O LEU X 34 62.742 3.194 -7.069 1.00 0.00 O ATOM 506 CB LEU X 34 60.534 1.150 -8.698 1.00 0.00 C ATOM 507 CG LEU X 34 61.711 0.388 -9.318 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.535 1.292 -10.178 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.566 -0.304 -8.261 1.00 0.00 C ATOM 0 H LEU X 34 58.679 2.163 -7.581 1.00 0.00 H new ATOM 0 HA LEU X 34 61.212 1.297 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.743 0.425 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.159 1.839 -9.455 1.00 0.00 H new ATOM 0 HG LEU X 34 61.295 -0.396 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.364 0.730 -10.607 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.916 1.695 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.926 2.111 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.388 -0.831 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.968 0.440 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.954 -1.016 -7.707 1.00 0.00 H new ATOM 521 N ASP X 35 61.129 4.183 -8.264 1.00 0.00 N ATOM 522 CA ASP X 35 61.900 5.375 -8.454 1.00 0.00 C ATOM 523 C ASP X 35 62.068 6.178 -7.203 1.00 0.00 C ATOM 524 O ASP X 35 62.990 6.979 -7.117 1.00 0.00 O ATOM 525 CB ASP X 35 61.426 6.224 -9.612 1.00 0.00 C ATOM 526 CG ASP X 35 62.058 5.834 -10.928 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.150 6.361 -11.271 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.487 5.006 -11.665 1.00 0.00 O ATOM 0 H ASP X 35 60.193 4.205 -8.670 1.00 0.00 H new ATOM 0 HA ASP X 35 62.893 5.018 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.343 6.141 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.650 7.270 -9.404 1.00 0.00 H new ATOM 533 N VAL X 36 61.208 5.983 -6.219 1.00 0.00 N ATOM 534 CA VAL X 36 61.422 6.676 -4.964 1.00 0.00 C ATOM 535 C VAL X 36 62.595 6.080 -4.301 1.00 0.00 C ATOM 536 O VAL X 36 63.535 6.747 -3.968 1.00 0.00 O ATOM 537 CB VAL X 36 60.298 6.467 -3.942 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.585 7.262 -2.699 1.00 0.00 C ATOM 539 CG2 VAL X 36 58.996 6.833 -4.472 1.00 0.00 C ATOM 0 H VAL X 36 60.388 5.377 -6.259 1.00 0.00 H new ATOM 0 HA VAL X 36 61.509 7.731 -5.224 1.00 0.00 H new ATOM 0 HB VAL X 36 60.266 5.404 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.783 7.110 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.530 6.933 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.650 8.320 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.234 6.667 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.002 7.885 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.774 6.222 -5.347 1.00 0.00 H new ATOM 549 N LEU X 37 62.554 4.790 -4.231 1.00 0.00 N ATOM 550 CA LEU X 37 63.477 4.042 -3.460 1.00 0.00 C ATOM 551 C LEU X 37 64.837 4.094 -4.012 1.00 0.00 C ATOM 552 O LEU X 37 65.797 4.224 -3.273 1.00 0.00 O ATOM 553 CB LEU X 37 63.037 2.636 -3.353 1.00 0.00 C ATOM 554 CG LEU X 37 61.612 2.414 -2.840 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.260 0.952 -2.811 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.403 3.041 -1.467 1.00 0.00 C ATOM 0 H LEU X 37 61.863 4.221 -4.719 1.00 0.00 H new ATOM 0 HA LEU X 37 63.505 4.496 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.124 2.174 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.726 2.110 -2.692 1.00 0.00 H new ATOM 0 HG LEU X 37 60.942 2.912 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.242 0.830 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.333 0.540 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.950 0.425 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.380 2.862 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.097 2.596 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.583 4.114 -1.526 1.00 0.00 H new ATOM 568 N LEU X 38 64.920 3.995 -5.307 1.00 0.00 N ATOM 569 CA LEU X 38 66.176 4.041 -5.980 1.00 0.00 C ATOM 570 C LEU X 38 66.885 5.350 -5.693 1.00 0.00 C ATOM 571 O LEU X 38 68.083 5.362 -5.381 1.00 0.00 O ATOM 572 CB LEU X 38 65.995 3.817 -7.477 1.00 0.00 C ATOM 573 CG LEU X 38 65.460 2.458 -7.947 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.758 2.276 -9.398 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.015 1.305 -7.152 1.00 0.00 C ATOM 0 H LEU X 38 64.115 3.880 -5.923 1.00 0.00 H new ATOM 0 HA LEU X 38 66.804 3.234 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.320 4.588 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.960 3.979 -7.957 1.00 0.00 H new ATOM 0 HG LEU X 38 64.382 2.460 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.377 1.310 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.279 3.071 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.836 2.314 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.601 0.370 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.101 1.286 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.745 1.423 -6.103 1.00 0.00 H new ATOM 587 N GLU X 39 66.142 6.429 -5.761 1.00 0.00 N ATOM 588 CA GLU X 39 66.663 7.741 -5.466 1.00 0.00 C ATOM 589 C GLU X 39 66.926 7.920 -3.982 1.00 0.00 C ATOM 590 O GLU X 39 67.969 8.429 -3.574 1.00 0.00 O ATOM 591 CB GLU X 39 65.698 8.788 -5.924 1.00 0.00 C ATOM 592 CG GLU X 39 65.568 8.915 -7.411 1.00 0.00 C ATOM 593 CD GLU X 39 66.864 9.289 -8.065 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.179 10.487 -8.142 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.603 8.400 -8.519 1.00 0.00 O ATOM 0 H GLU X 39 65.156 6.421 -6.023 1.00 0.00 H new ATOM 0 HA GLU X 39 67.609 7.845 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.717 8.566 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.008 9.751 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.214 7.971 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.815 9.668 -7.645 1.00 0.00 H new ATOM 602 N HIS X 40 65.974 7.491 -3.196 1.00 0.00 N ATOM 603 CA HIS X 40 65.991 7.644 -1.760 1.00 0.00 C ATOM 604 C HIS X 40 67.202 6.967 -1.180 1.00 0.00 C ATOM 605 O HIS X 40 67.912 7.533 -0.363 1.00 0.00 O ATOM 606 CB HIS X 40 64.704 7.049 -1.173 1.00 0.00 C ATOM 607 CG HIS X 40 64.527 7.238 0.299 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.698 8.177 0.858 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.080 6.565 1.332 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.775 8.050 2.177 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.603 7.082 2.517 1.00 0.00 N ATOM 0 H HIS X 40 65.143 7.013 -3.543 1.00 0.00 H new ATOM 0 HA HIS X 40 66.042 8.703 -1.506 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.851 7.494 -1.685 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.685 5.981 -1.391 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.125 8.852 0.351 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.784 5.751 1.243 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.230 8.661 2.881 1.00 0.00 H new ATOM 619 N PHE X 41 67.443 5.786 -1.639 1.00 0.00 N ATOM 620 CA PHE X 41 68.561 5.019 -1.225 1.00 0.00 C ATOM 621 C PHE X 41 69.866 5.739 -1.553 1.00 0.00 C ATOM 622 O PHE X 41 70.723 5.914 -0.692 1.00 0.00 O ATOM 623 CB PHE X 41 68.478 3.656 -1.892 1.00 0.00 C ATOM 624 CG PHE X 41 69.732 2.858 -1.861 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.156 2.254 -0.701 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.489 2.716 -2.999 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.322 1.522 -0.677 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.647 1.985 -2.971 1.00 0.00 C ATOM 629 CZ PHE X 41 72.066 1.391 -1.816 1.00 0.00 C ATOM 0 H PHE X 41 66.853 5.319 -2.328 1.00 0.00 H new ATOM 0 HA PHE X 41 68.547 4.886 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.688 3.081 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.181 3.796 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.569 2.355 0.200 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.170 3.183 -3.919 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.648 1.053 0.239 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.234 1.878 -3.871 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.982 0.819 -1.802 1.00 0.00 H new ATOM 639 N VAL X 42 70.007 6.168 -2.773 1.00 0.00 N ATOM 640 CA VAL X 42 71.211 6.841 -3.187 1.00 0.00 C ATOM 641 C VAL X 42 71.407 8.217 -2.537 1.00 0.00 C ATOM 642 O VAL X 42 72.512 8.621 -2.302 1.00 0.00 O ATOM 643 CB VAL X 42 71.400 6.863 -4.719 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.337 7.588 -5.439 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.770 7.327 -5.132 1.00 0.00 C ATOM 0 H VAL X 42 69.303 6.065 -3.504 1.00 0.00 H new ATOM 0 HA VAL X 42 72.023 6.226 -2.797 1.00 0.00 H new ATOM 0 HB VAL X 42 71.311 5.820 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.539 7.560 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.375 7.116 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.310 8.624 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.844 7.322 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL X 42 72.939 8.338 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.522 6.658 -4.714 1.00 0.00 H new ATOM 655 N LYS X 43 70.341 8.914 -2.253 1.00 0.00 N ATOM 656 CA LYS X 43 70.447 10.266 -1.646 1.00 0.00 C ATOM 657 C LYS X 43 70.954 10.206 -0.195 1.00 0.00 C ATOM 658 O LYS X 43 71.648 11.115 0.270 1.00 0.00 O ATOM 659 CB LYS X 43 69.104 11.033 -1.693 1.00 0.00 C ATOM 660 CG LYS X 43 68.067 10.559 -0.654 1.00 0.00 C ATOM 661 CD LYS X 43 66.723 11.251 -0.788 1.00 0.00 C ATOM 662 CE LYS X 43 66.818 12.742 -0.516 1.00 0.00 C ATOM 663 NZ LYS X 43 65.506 13.405 -0.644 1.00 0.00 N ATOM 0 H LYS X 43 69.386 8.596 -2.420 1.00 0.00 H new ATOM 0 HA LYS X 43 71.176 10.808 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.299 12.094 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.675 10.931 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS X 43 67.926 9.483 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.460 10.735 0.347 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.332 11.091 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.013 10.801 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.211 12.904 0.487 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.524 13.195 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.610 14.422 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.142 13.271 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.839 12.990 0.038 1.00 0.00 H new ATOM 677 N ILE X 44 70.589 9.165 0.515 1.00 0.00 N ATOM 678 CA ILE X 44 70.990 9.028 1.897 1.00 0.00 C ATOM 679 C ILE X 44 72.369 8.395 1.996 1.00 0.00 C ATOM 680 O ILE X 44 73.141 8.707 2.897 1.00 0.00 O ATOM 681 CB ILE X 44 69.931 8.237 2.720 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.649 6.876 2.070 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.645 9.058 2.842 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.539 6.090 2.704 1.00 0.00 C ATOM 0 H ILE X 44 70.015 8.400 0.160 1.00 0.00 H new ATOM 0 HA ILE X 44 71.051 10.025 2.333 1.00 0.00 H new ATOM 0 HB ILE X 44 70.325 8.057 3.720 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.408 7.035 1.019 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.561 6.279 2.101 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.909 8.498 3.419 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.861 10.000 3.346 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.248 9.262 1.848 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.415 5.145 2.176 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.783 5.893 3.748 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.612 6.661 2.649 1.00 0.00 H new ATOM 696 N THR X 45 72.688 7.537 1.053 1.00 0.00 N ATOM 697 CA THR X 45 73.976 6.889 1.033 1.00 0.00 C ATOM 698 C THR X 45 75.016 7.755 0.352 1.00 0.00 C ATOM 699 O THR X 45 76.210 7.703 0.695 1.00 0.00 O ATOM 700 CB THR X 45 73.895 5.533 0.325 1.00 0.00 C ATOM 701 OG1 THR X 45 73.364 5.708 -1.000 1.00 0.00 O ATOM 702 CG2 THR X 45 73.001 4.594 1.094 1.00 0.00 C ATOM 0 H THR X 45 72.068 7.272 0.287 1.00 0.00 H new ATOM 0 HA THR X 45 74.276 6.732 2.069 1.00 0.00 H new ATOM 0 HB THR X 45 74.898 5.110 0.269 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.405 5.504 -0.998 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.953 3.634 0.579 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.403 4.448 2.097 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.000 5.020 1.163 1.00 0.00 H new ATOM 710 N GLU X 46 74.550 8.534 -0.641 1.00 0.00 N ATOM 711 CA GLU X 46 75.374 9.402 -1.467 1.00 0.00 C ATOM 712 C GLU X 46 76.435 8.588 -2.172 1.00 0.00 C ATOM 713 O GLU X 46 77.530 9.066 -2.489 1.00 0.00 O ATOM 714 CB GLU X 46 75.930 10.531 -0.629 1.00 0.00 C ATOM 715 CG GLU X 46 74.886 11.563 -0.258 1.00 0.00 C ATOM 716 CD GLU X 46 74.484 12.430 -1.426 1.00 0.00 C ATOM 717 OE1 GLU X 46 73.746 11.976 -2.321 1.00 0.00 O ATOM 718 OE2 GLU X 46 74.919 13.595 -1.479 1.00 0.00 O ATOM 0 H GLU X 46 73.561 8.570 -0.889 1.00 0.00 H new ATOM 0 HA GLU X 46 74.774 9.866 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.366 10.120 0.282 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.737 11.019 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.004 11.057 0.134 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.273 12.194 0.542 1.00 0.00 H new ATOM 725 N HIS X 47 76.059 7.362 -2.466 1.00 0.00 N ATOM 726 CA HIS X 47 76.919 6.422 -3.101 1.00 0.00 C ATOM 727 C HIS X 47 76.890 6.682 -4.614 1.00 0.00 C ATOM 728 O HIS X 47 75.821 6.839 -5.181 1.00 0.00 O ATOM 729 CB HIS X 47 76.437 4.991 -2.786 1.00 0.00 C ATOM 730 CG HIS X 47 77.453 3.952 -3.095 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.461 3.174 -4.223 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.550 3.615 -2.410 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.563 2.420 -4.183 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.251 2.650 -3.105 1.00 0.00 N ATOM 0 H HIS X 47 75.129 6.997 -2.262 1.00 0.00 H new ATOM 0 HA HIS X 47 77.940 6.529 -2.735 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.171 4.928 -1.731 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.531 4.786 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.843 4.034 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.845 1.711 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.128 2.209 -2.829 1.00 0.00 H new ATOM 742 N PRO X 48 78.048 6.693 -5.295 1.00 0.00 N ATOM 743 CA PRO X 48 78.133 7.008 -6.741 1.00 0.00 C ATOM 744 C PRO X 48 77.553 5.926 -7.604 1.00 0.00 C ATOM 745 O PRO X 48 77.323 6.104 -8.807 1.00 0.00 O ATOM 746 CB PRO X 48 79.627 7.020 -7.005 1.00 0.00 C ATOM 747 CG PRO X 48 80.272 7.124 -5.697 1.00 0.00 C ATOM 748 CD PRO X 48 79.378 6.403 -4.751 1.00 0.00 C ATOM 0 HA PRO X 48 77.595 7.929 -6.966 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.938 6.112 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.903 7.860 -7.643 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.266 6.678 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.395 8.166 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.585 5.333 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.488 6.768 -3.730 1.00 0.00 H new ATOM 756 N ASP X 49 77.312 4.821 -6.997 1.00 0.00 N ATOM 757 CA ASP X 49 76.908 3.670 -7.680 1.00 0.00 C ATOM 758 C ASP X 49 75.708 3.165 -6.948 1.00 0.00 C ATOM 759 O ASP X 49 75.476 1.974 -6.870 1.00 0.00 O ATOM 760 CB ASP X 49 78.005 2.585 -7.655 1.00 0.00 C ATOM 761 CG ASP X 49 79.334 3.038 -8.200 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.576 2.905 -9.420 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.158 3.538 -7.422 1.00 0.00 O ATOM 0 H ASP X 49 77.395 4.700 -5.988 1.00 0.00 H new ATOM 0 HA ASP X 49 76.702 3.899 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.142 2.247 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.663 1.725 -8.231 1.00 0.00 H new ATOM 768 N GLY X 50 74.980 4.114 -6.359 1.00 0.00 N ATOM 769 CA GLY X 50 73.811 3.851 -5.539 1.00 0.00 C ATOM 770 C GLY X 50 72.892 2.898 -6.138 1.00 0.00 C ATOM 771 O GLY X 50 72.687 1.808 -5.619 1.00 0.00 O ATOM 0 H GLY X 50 75.197 5.107 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.134 3.474 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.285 4.788 -5.357 1.00 0.00 H new ATOM 775 N THR X 51 72.434 3.211 -7.259 1.00 0.00 N ATOM 776 CA THR X 51 71.413 2.400 -7.808 1.00 0.00 C ATOM 777 C THR X 51 72.007 1.116 -8.426 1.00 0.00 C ATOM 778 O THR X 51 71.351 0.075 -8.474 1.00 0.00 O ATOM 779 CB THR X 51 70.531 3.183 -8.765 1.00 0.00 C ATOM 780 OG1 THR X 51 70.407 4.544 -8.257 1.00 0.00 O ATOM 781 CG2 THR X 51 69.152 2.566 -8.754 1.00 0.00 C ATOM 0 H THR X 51 72.730 4.007 -7.825 1.00 0.00 H new ATOM 0 HA THR X 51 70.754 2.078 -7.002 1.00 0.00 H new ATOM 0 HB THR X 51 70.956 3.173 -9.769 1.00 0.00 H new ATOM 0 HG1 THR X 51 69.842 5.069 -8.862 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.502 3.115 -9.436 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.216 1.526 -9.073 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.741 2.612 -7.746 1.00 0.00 H new ATOM 789 N ALA X 52 73.285 1.180 -8.785 1.00 0.00 N ATOM 790 CA ALA X 52 74.016 0.036 -9.299 1.00 0.00 C ATOM 791 C ALA X 52 74.209 -0.984 -8.208 1.00 0.00 C ATOM 792 O ALA X 52 74.291 -2.167 -8.481 1.00 0.00 O ATOM 793 CB ALA X 52 75.350 0.455 -9.897 1.00 0.00 C ATOM 0 H ALA X 52 73.842 2.033 -8.726 1.00 0.00 H new ATOM 0 HA ALA X 52 73.430 -0.415 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.873 -0.425 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.178 1.153 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.957 0.938 -9.131 1.00 0.00 H new ATOM 799 N LEU X 53 74.265 -0.525 -6.959 1.00 0.00 N ATOM 800 CA LEU X 53 74.338 -1.449 -5.837 1.00 0.00 C ATOM 801 C LEU X 53 73.068 -2.235 -5.717 1.00 0.00 C ATOM 802 O LEU X 53 73.088 -3.415 -5.418 1.00 0.00 O ATOM 803 CB LEU X 53 74.657 -0.785 -4.508 1.00 0.00 C ATOM 804 CG LEU X 53 76.014 -0.125 -4.370 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.249 0.232 -2.930 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.126 -1.016 -4.893 1.00 0.00 C ATOM 0 H LEU X 53 74.261 0.463 -6.704 1.00 0.00 H new ATOM 0 HA LEU X 53 75.173 -2.113 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.894 -0.031 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.566 -1.537 -3.724 1.00 0.00 H new ATOM 0 HG LEU X 53 76.021 0.782 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.225 0.707 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.473 0.920 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.220 -0.672 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.084 -0.509 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.139 -1.949 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.954 -1.231 -5.948 1.00 0.00 H new ATOM 818 N ILE X 54 71.970 -1.584 -5.984 1.00 0.00 N ATOM 819 CA ILE X 54 70.670 -2.242 -5.967 1.00 0.00 C ATOM 820 C ILE X 54 70.620 -3.263 -7.100 1.00 0.00 C ATOM 821 O ILE X 54 70.182 -4.406 -6.930 1.00 0.00 O ATOM 822 CB ILE X 54 69.536 -1.201 -6.110 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.359 -0.428 -4.797 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.218 -1.851 -6.543 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.628 0.872 -4.966 1.00 0.00 C ATOM 0 H ILE X 54 71.938 -0.592 -6.219 1.00 0.00 H new ATOM 0 HA ILE X 54 70.529 -2.754 -5.015 1.00 0.00 H new ATOM 0 HB ILE X 54 69.822 -0.501 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.817 -1.052 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.340 -0.231 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.447 -1.086 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.354 -2.343 -7.506 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.914 -2.588 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.538 1.367 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.181 1.514 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.634 0.681 -5.370 1.00 0.00 H new ATOM 837 N TYR X 55 71.123 -2.840 -8.230 1.00 0.00 N ATOM 838 CA TYR X 55 71.198 -3.656 -9.401 1.00 0.00 C ATOM 839 C TYR X 55 72.085 -4.886 -9.218 1.00 0.00 C ATOM 840 O TYR X 55 71.717 -5.984 -9.651 1.00 0.00 O ATOM 841 CB TYR X 55 71.614 -2.832 -10.599 1.00 0.00 C ATOM 842 CG TYR X 55 70.463 -2.109 -11.265 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.510 -2.821 -11.973 1.00 0.00 C ATOM 844 CD2 TYR X 55 70.328 -0.730 -11.195 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.459 -2.190 -12.588 1.00 0.00 C ATOM 846 CE2 TYR X 55 69.273 -0.085 -11.811 1.00 0.00 C ATOM 847 CZ TYR X 55 68.341 -0.823 -12.507 1.00 0.00 C ATOM 848 OH TYR X 55 67.282 -0.190 -13.126 1.00 0.00 O ATOM 0 H TYR X 55 71.498 -1.900 -8.359 1.00 0.00 H new ATOM 0 HA TYR X 55 70.196 -4.043 -9.584 1.00 0.00 H new ATOM 0 HB2 TYR X 55 72.359 -2.101 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR X 55 72.094 -3.484 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.596 -3.895 -12.042 1.00 0.00 H new ATOM 0 HD2 TYR X 55 71.059 -0.151 -10.650 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.726 -2.765 -13.134 1.00 0.00 H new ATOM 0 HE2 TYR X 55 69.180 0.989 -11.747 1.00 0.00 H new ATOM 0 HH TYR X 55 67.343 0.776 -12.973 1.00 0.00 H new ATOM 858 N GLU X 56 73.244 -4.731 -8.595 1.00 0.00 N ATOM 859 CA GLU X 56 74.061 -5.894 -8.320 1.00 0.00 C ATOM 860 C GLU X 56 73.425 -6.767 -7.256 1.00 0.00 C ATOM 861 O GLU X 56 73.422 -7.969 -7.388 1.00 0.00 O ATOM 862 CB GLU X 56 75.523 -5.582 -7.958 1.00 0.00 C ATOM 863 CG GLU X 56 75.715 -4.533 -6.883 1.00 0.00 C ATOM 864 CD GLU X 56 77.046 -4.653 -6.183 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.182 -5.475 -5.244 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.984 -3.946 -6.554 1.00 0.00 O ATOM 0 H GLU X 56 73.628 -3.840 -8.280 1.00 0.00 H new ATOM 0 HA GLU X 56 74.103 -6.438 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU X 56 76.004 -6.504 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU X 56 76.041 -5.254 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.632 -3.542 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.914 -4.620 -6.149 1.00 0.00 H new ATOM 873 N ALA X 57 72.846 -6.150 -6.226 1.00 0.00 N ATOM 874 CA ALA X 57 72.214 -6.884 -5.123 1.00 0.00 C ATOM 875 C ALA X 57 71.108 -7.803 -5.613 1.00 0.00 C ATOM 876 O ALA X 57 70.988 -8.940 -5.154 1.00 0.00 O ATOM 877 CB ALA X 57 71.677 -5.931 -4.081 1.00 0.00 C ATOM 0 H ALA X 57 72.800 -5.136 -6.130 1.00 0.00 H new ATOM 0 HA ALA X 57 72.986 -7.506 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.213 -6.498 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.495 -5.332 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.935 -5.275 -4.536 1.00 0.00 H new ATOM 883 N ALA X 58 70.319 -7.322 -6.563 1.00 0.00 N ATOM 884 CA ALA X 58 69.243 -8.115 -7.139 1.00 0.00 C ATOM 885 C ALA X 58 69.800 -9.373 -7.807 1.00 0.00 C ATOM 886 O ALA X 58 69.269 -10.474 -7.623 1.00 0.00 O ATOM 887 CB ALA X 58 68.437 -7.286 -8.127 1.00 0.00 C ATOM 0 H ALA X 58 70.405 -6.383 -6.952 1.00 0.00 H new ATOM 0 HA ALA X 58 68.576 -8.426 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.637 -7.896 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA X 58 68.006 -6.426 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA X 58 69.089 -6.941 -8.929 1.00 0.00 H new ATOM 893 N ALA X 59 70.899 -9.205 -8.537 1.00 0.00 N ATOM 894 CA ALA X 59 71.561 -10.309 -9.224 1.00 0.00 C ATOM 895 C ALA X 59 72.276 -11.212 -8.217 1.00 0.00 C ATOM 896 O ALA X 59 72.253 -12.435 -8.336 1.00 0.00 O ATOM 897 CB ALA X 59 72.538 -9.780 -10.266 1.00 0.00 C ATOM 0 H ALA X 59 71.355 -8.302 -8.669 1.00 0.00 H new ATOM 0 HA ALA X 59 70.805 -10.902 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA X 59 73.023 -10.617 -10.768 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.999 -9.180 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.293 -9.164 -9.777 1.00 0.00 H new ATOM 903 N ARG X 60 72.861 -10.589 -7.204 1.00 0.00 N ATOM 904 CA ARG X 60 73.553 -11.287 -6.126 1.00 0.00 C ATOM 905 C ARG X 60 72.594 -12.210 -5.381 1.00 0.00 C ATOM 906 O ARG X 60 72.947 -13.318 -5.029 1.00 0.00 O ATOM 907 CB ARG X 60 74.198 -10.284 -5.145 1.00 0.00 C ATOM 908 CG ARG X 60 75.455 -9.584 -5.636 1.00 0.00 C ATOM 909 CD ARG X 60 75.830 -8.382 -4.749 1.00 0.00 C ATOM 910 NE ARG X 60 76.038 -8.706 -3.316 1.00 0.00 N ATOM 911 CZ ARG X 60 76.501 -7.823 -2.394 1.00 0.00 C ATOM 912 NH1 ARG X 60 76.911 -6.601 -2.776 1.00 0.00 N ATOM 913 NH2 ARG X 60 76.577 -8.168 -1.101 1.00 0.00 N ATOM 0 H ARG X 60 72.870 -9.574 -7.105 1.00 0.00 H new ATOM 0 HA ARG X 60 74.344 -11.891 -6.570 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.458 -9.524 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.437 -10.812 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.282 -10.294 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.304 -9.245 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.741 -7.930 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.043 -7.632 -4.827 1.00 0.00 H new ATOM 0 HE ARG X 60 75.819 -9.652 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG X 60 76.875 -6.335 -3.760 1.00 0.00 H new ATOM 0 HH12 ARG X 60 77.258 -5.939 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG X 60 76.286 -9.099 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG X 60 76.926 -7.499 -0.414 1.00 0.00 H new ATOM 927 N ALA X 61 71.380 -11.747 -5.160 1.00 0.00 N ATOM 928 CA ALA X 61 70.352 -12.558 -4.504 1.00 0.00 C ATOM 929 C ALA X 61 69.789 -13.598 -5.450 1.00 0.00 C ATOM 930 O ALA X 61 69.404 -14.684 -5.028 1.00 0.00 O ATOM 931 CB ALA X 61 69.235 -11.685 -3.981 1.00 0.00 C ATOM 0 H ALA X 61 71.072 -10.811 -5.423 1.00 0.00 H new ATOM 0 HA ALA X 61 70.824 -13.071 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.482 -12.308 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.636 -10.974 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.779 -11.142 -4.809 1.00 0.00 H new ATOM 937 N ALA X 62 69.740 -13.260 -6.729 1.00 0.00 N ATOM 938 CA ALA X 62 69.242 -14.171 -7.746 1.00 0.00 C ATOM 939 C ALA X 62 70.165 -15.371 -7.869 1.00 0.00 C ATOM 940 O ALA X 62 69.714 -16.502 -8.073 1.00 0.00 O ATOM 941 CB ALA X 62 69.097 -13.461 -9.085 1.00 0.00 C ATOM 0 H ALA X 62 70.042 -12.354 -7.089 1.00 0.00 H new ATOM 0 HA ALA X 62 68.255 -14.521 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.723 -14.163 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.397 -12.632 -8.983 1.00 0.00 H new ATOM 0 HB3 ALA X 62 70.068 -13.079 -9.401 1.00 0.00 H new ATOM 947 N ALA X 63 71.451 -15.123 -7.759 1.00 0.00 N ATOM 948 CA ALA X 63 72.427 -16.182 -7.769 1.00 0.00 C ATOM 949 C ALA X 63 72.475 -16.835 -6.395 1.00 0.00 C ATOM 950 O ALA X 63 72.395 -18.066 -6.272 1.00 0.00 O ATOM 951 CB ALA X 63 73.796 -15.644 -8.159 1.00 0.00 C ATOM 0 H ALA X 63 71.845 -14.187 -7.661 1.00 0.00 H new ATOM 0 HA ALA X 63 72.140 -16.929 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA X 63 74.520 -16.459 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.743 -15.203 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA X 63 74.106 -14.885 -7.441 1.00 0.00 H new ATOM 957 N ASN X 64 72.558 -15.985 -5.376 1.00 0.00 N ATOM 958 CA ASN X 64 72.624 -16.362 -3.967 1.00 0.00 C ATOM 959 C ASN X 64 73.875 -17.195 -3.678 1.00 0.00 C ATOM 960 O ASN X 64 73.868 -18.424 -3.796 1.00 0.00 O ATOM 961 CB ASN X 64 71.351 -17.073 -3.478 1.00 0.00 C ATOM 962 CG ASN X 64 71.383 -17.410 -1.989 1.00 0.00 C ATOM 963 OD1 ASN X 64 70.892 -18.459 -1.570 1.00 0.00 O ATOM 964 ND2 ASN X 64 71.864 -16.496 -1.169 1.00 0.00 N ATOM 0 H ASN X 64 72.582 -14.975 -5.514 1.00 0.00 H new ATOM 0 HA ASN X 64 72.693 -15.434 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN X 64 70.488 -16.439 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.214 -17.991 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN X 64 71.835 -16.649 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN X 64 72.265 -15.636 -1.543 1.00 0.00 H new ATOM 971 N PRO X 65 74.981 -16.525 -3.344 1.00 0.00 N ATOM 972 CA PRO X 65 76.250 -17.189 -3.074 1.00 0.00 C ATOM 973 C PRO X 65 76.257 -17.885 -1.703 1.00 0.00 C ATOM 974 O PRO X 65 75.281 -17.792 -0.934 1.00 0.00 O ATOM 975 CB PRO X 65 77.254 -16.035 -3.105 1.00 0.00 C ATOM 976 CG PRO X 65 76.472 -14.843 -2.686 1.00 0.00 C ATOM 977 CD PRO X 65 75.083 -15.053 -3.203 1.00 0.00 C ATOM 0 HA PRO X 65 76.469 -17.980 -3.791 1.00 0.00 H new ATOM 0 HB2 PRO X 65 78.089 -16.218 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO X 65 77.674 -15.902 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO X 65 76.472 -14.739 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO X 65 76.905 -13.930 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO X 65 74.335 -14.664 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO X 65 74.930 -14.548 -4.156 1.00 0.00 H new ATOM 985 N GLY X 66 77.337 -18.579 -1.405 1.00 0.00 N ATOM 986 CA GLY X 66 77.481 -19.267 -0.135 1.00 0.00 C ATOM 987 C GLY X 66 77.885 -18.334 0.946 1.00 0.00 C ATOM 988 O GLY X 66 79.032 -18.345 1.408 1.00 0.00 O ATOM 0 H GLY X 66 78.136 -18.683 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY X 66 76.538 -19.746 0.130 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.224 -20.058 -0.231 1.00 0.00 H new ATOM 992 N GLY X 67 76.969 -17.524 1.338 1.00 0.00 N ATOM 993 CA GLY X 67 77.234 -16.556 2.316 1.00 0.00 C ATOM 994 C GLY X 67 76.834 -15.209 1.808 1.00 0.00 C ATOM 995 O GLY X 67 76.463 -15.092 0.623 1.00 0.00 O ATOM 0 H GLY X 67 76.013 -17.521 0.982 1.00 0.00 H new ATOM 0 HA2 GLY X 67 76.687 -16.788 3.230 1.00 0.00 H new ATOM 0 HA3 GLY X 67 78.294 -16.561 2.569 1.00 0.00 H new ATOM 999 N ASP X 68 76.874 -14.205 2.681 1.00 0.00 N ATOM 1000 CA ASP X 68 76.523 -12.788 2.371 1.00 0.00 C ATOM 1001 C ASP X 68 75.017 -12.595 2.217 1.00 0.00 C ATOM 1002 O ASP X 68 74.406 -11.744 2.884 1.00 0.00 O ATOM 1003 CB ASP X 68 77.260 -12.258 1.116 1.00 0.00 C ATOM 1004 CG ASP X 68 76.961 -10.801 0.815 1.00 0.00 C ATOM 1005 OD1 ASP X 68 75.968 -10.497 0.118 1.00 0.00 O ATOM 1006 OD2 ASP X 68 77.737 -9.933 1.262 1.00 0.00 O ATOM 0 H ASP X 68 77.156 -14.339 3.652 1.00 0.00 H new ATOM 0 HA ASP X 68 76.859 -12.203 3.227 1.00 0.00 H new ATOM 0 HB2 ASP X 68 78.334 -12.380 1.255 1.00 0.00 H new ATOM 0 HB3 ASP X 68 76.979 -12.865 0.255 1.00 0.00 H new ATOM 1011 N GLY X 69 74.436 -13.388 1.358 1.00 0.00 N ATOM 1012 CA GLY X 69 73.035 -13.322 1.065 1.00 0.00 C ATOM 1013 C GLY X 69 72.830 -12.790 -0.321 1.00 0.00 C ATOM 1014 O GLY X 69 72.074 -13.354 -1.116 1.00 0.00 O ATOM 0 H GLY X 69 74.933 -14.109 0.835 1.00 0.00 H new ATOM 0 HA2 GLY X 69 72.589 -14.312 1.154 1.00 0.00 H new ATOM 0 HA3 GLY X 69 72.533 -12.680 1.789 1.00 0.00 H new ATOM 1018 N GLY X 70 73.539 -11.729 -0.626 1.00 0.00 N ATOM 1019 CA GLY X 70 73.484 -11.139 -1.921 1.00 0.00 C ATOM 1020 C GLY X 70 72.502 -9.992 -2.046 1.00 0.00 C ATOM 1021 O GLY X 70 72.853 -8.936 -2.571 1.00 0.00 O ATOM 0 H GLY X 70 74.168 -11.258 0.025 1.00 0.00 H new ATOM 0 HA2 GLY X 70 74.479 -10.780 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.219 -11.908 -2.646 1.00 0.00 H new ATOM 1025 N GLY X 71 71.301 -10.183 -1.549 1.00 0.00 N ATOM 1026 CA GLY X 71 70.245 -9.222 -1.766 1.00 0.00 C ATOM 1027 C GLY X 71 70.241 -8.021 -0.838 1.00 0.00 C ATOM 1028 O GLY X 71 71.291 -7.441 -0.553 1.00 0.00 O ATOM 0 H GLY X 71 71.032 -10.994 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY X 71 70.312 -8.863 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.288 -9.735 -1.669 1.00 0.00 H new ATOM 1032 N PRO X 72 69.054 -7.658 -0.312 1.00 0.00 N ATOM 1033 CA PRO X 72 68.839 -6.426 0.447 1.00 0.00 C ATOM 1034 C PRO X 72 69.781 -6.249 1.614 1.00 0.00 C ATOM 1035 O PRO X 72 70.374 -5.206 1.785 1.00 0.00 O ATOM 1036 CB PRO X 72 67.398 -6.521 0.925 1.00 0.00 C ATOM 1037 CG PRO X 72 67.011 -7.939 0.746 1.00 0.00 C ATOM 1038 CD PRO X 72 67.824 -8.455 -0.396 1.00 0.00 C ATOM 0 HA PRO X 72 69.034 -5.556 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.311 -6.220 1.969 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.749 -5.862 0.348 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.206 -8.512 1.652 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.945 -8.028 0.536 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.027 -9.521 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.316 -8.314 -1.350 1.00 0.00 H new ATOM 1046 N GLU X 73 69.967 -7.272 2.366 1.00 0.00 N ATOM 1047 CA GLU X 73 70.813 -7.210 3.522 1.00 0.00 C ATOM 1048 C GLU X 73 72.309 -7.178 3.163 1.00 0.00 C ATOM 1049 O GLU X 73 73.171 -7.152 4.040 1.00 0.00 O ATOM 1050 CB GLU X 73 70.433 -8.291 4.507 1.00 0.00 C ATOM 1051 CG GLU X 73 68.974 -8.171 4.916 1.00 0.00 C ATOM 1052 CD GLU X 73 68.503 -9.251 5.835 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.887 -9.259 7.013 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.720 -10.116 5.392 1.00 0.00 O ATOM 0 H GLU X 73 69.539 -8.184 2.204 1.00 0.00 H new ATOM 0 HA GLU X 73 70.644 -6.257 4.023 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.610 -9.271 4.063 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.068 -8.222 5.390 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.823 -7.206 5.400 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.355 -8.178 4.019 1.00 0.00 H new ATOM 1061 N GLY X 74 72.608 -7.183 1.882 1.00 0.00 N ATOM 1062 CA GLY X 74 73.967 -7.030 1.467 1.00 0.00 C ATOM 1063 C GLY X 74 74.218 -5.724 0.768 1.00 0.00 C ATOM 1064 O GLY X 74 75.367 -5.381 0.490 1.00 0.00 O ATOM 0 H GLY X 74 71.932 -7.290 1.126 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.618 -7.102 2.338 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.233 -7.851 0.801 1.00 0.00 H new ATOM 1068 N ILE X 75 73.160 -4.966 0.517 1.00 0.00 N ATOM 1069 CA ILE X 75 73.321 -3.654 -0.105 1.00 0.00 C ATOM 1070 C ILE X 75 73.812 -2.709 0.974 1.00 0.00 C ATOM 1071 O ILE X 75 74.730 -1.931 0.787 1.00 0.00 O ATOM 1072 CB ILE X 75 71.998 -3.077 -0.672 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.008 -4.193 -1.039 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.324 -2.242 -1.891 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.702 -3.722 -1.669 1.00 0.00 C ATOM 0 H ILE X 75 72.197 -5.227 0.729 1.00 0.00 H new ATOM 0 HA ILE X 75 74.013 -3.759 -0.940 1.00 0.00 H new ATOM 0 HB ILE X 75 71.521 -2.462 0.091 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.499 -4.879 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.774 -4.760 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.405 -1.827 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.993 -1.430 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.809 -2.867 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.073 -4.584 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.181 -3.062 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.917 -3.183 -2.592 1.00 0.00 H new ATOM 1087 N VAL X 76 73.184 -2.841 2.122 1.00 0.00 N ATOM 1088 CA VAL X 76 73.507 -2.104 3.348 1.00 0.00 C ATOM 1089 C VAL X 76 74.926 -2.343 3.759 1.00 0.00 C ATOM 1090 O VAL X 76 75.654 -1.431 4.132 1.00 0.00 O ATOM 1091 CB VAL X 76 72.543 -2.554 4.477 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.287 -4.036 4.486 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.868 -1.989 5.855 1.00 0.00 C ATOM 0 H VAL X 76 72.403 -3.486 2.243 1.00 0.00 H new ATOM 0 HA VAL X 76 73.388 -1.037 3.162 1.00 0.00 H new ATOM 0 HB VAL X 76 71.592 -2.089 4.216 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.605 -4.283 5.300 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.842 -4.334 3.537 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.228 -4.567 4.628 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.142 -2.357 6.580 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.868 -2.305 6.151 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.826 -0.900 5.821 1.00 0.00 H new ATOM 1103 N LYS X 77 75.282 -3.567 3.662 1.00 0.00 N ATOM 1104 CA LYS X 77 76.605 -4.051 3.958 1.00 0.00 C ATOM 1105 C LYS X 77 77.615 -3.337 3.070 1.00 0.00 C ATOM 1106 O LYS X 77 78.591 -2.795 3.549 1.00 0.00 O ATOM 1107 CB LYS X 77 76.630 -5.554 3.713 1.00 0.00 C ATOM 1108 CG LYS X 77 77.932 -6.266 4.003 1.00 0.00 C ATOM 1109 CD LYS X 77 77.750 -7.737 3.719 1.00 0.00 C ATOM 1110 CE LYS X 77 78.991 -8.553 3.998 1.00 0.00 C ATOM 1111 NZ LYS X 77 78.748 -9.980 3.723 1.00 0.00 N ATOM 0 H LYS X 77 74.643 -4.303 3.362 1.00 0.00 H new ATOM 0 HA LYS X 77 76.867 -3.852 4.997 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.849 -6.011 4.321 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.369 -5.734 2.670 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.732 -5.858 3.386 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.223 -6.115 5.043 1.00 0.00 H new ATOM 0 HD2 LYS X 77 76.928 -8.119 4.324 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.464 -7.867 2.675 1.00 0.00 H new ATOM 0 HE2 LYS X 77 79.815 -8.194 3.381 1.00 0.00 H new ATOM 0 HE3 LYS X 77 79.291 -8.424 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 79.555 -10.541 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 77.883 -10.286 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 78.634 -10.122 2.699 1.00 0.00 H new ATOM 1125 N GLU X 78 77.315 -3.286 1.790 1.00 0.00 N ATOM 1126 CA GLU X 78 78.162 -2.635 0.815 1.00 0.00 C ATOM 1127 C GLU X 78 78.295 -1.132 1.157 1.00 0.00 C ATOM 1128 O GLU X 78 79.391 -0.544 1.064 1.00 0.00 O ATOM 1129 CB GLU X 78 77.538 -2.817 -0.565 1.00 0.00 C ATOM 1130 CG GLU X 78 78.448 -2.488 -1.715 1.00 0.00 C ATOM 1131 CD GLU X 78 79.662 -3.362 -1.725 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.513 -4.601 -1.756 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.787 -2.832 -1.734 1.00 0.00 O ATOM 0 H GLU X 78 76.470 -3.698 1.394 1.00 0.00 H new ATOM 0 HA GLU X 78 79.159 -3.076 0.825 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.207 -3.851 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.649 -2.190 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.906 -2.606 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.752 -1.443 -1.652 1.00 0.00 H new ATOM 1140 N ILE X 79 77.184 -0.541 1.592 1.00 0.00 N ATOM 1141 CA ILE X 79 77.146 0.860 1.981 1.00 0.00 C ATOM 1142 C ILE X 79 77.983 1.110 3.226 1.00 0.00 C ATOM 1143 O ILE X 79 78.765 2.060 3.258 1.00 0.00 O ATOM 1144 CB ILE X 79 75.692 1.384 2.228 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.838 1.265 0.960 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.715 2.831 2.719 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.334 2.094 -0.204 1.00 0.00 C ATOM 0 H ILE X 79 76.289 -1.022 1.683 1.00 0.00 H new ATOM 0 HA ILE X 79 77.565 1.411 1.139 1.00 0.00 H new ATOM 0 HB ILE X 79 75.241 0.761 3.001 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.802 0.219 0.657 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.816 1.564 1.195 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.694 3.175 2.884 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.274 2.889 3.653 1.00 0.00 H new ATOM 0 HG23 ILE X 79 76.194 3.462 1.970 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.674 1.952 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.343 3.147 0.077 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.344 1.781 -0.469 1.00 0.00 H new ATOM 1159 N LYS X 80 77.847 0.249 4.235 1.00 0.00 N ATOM 1160 CA LYS X 80 78.562 0.443 5.490 1.00 0.00 C ATOM 1161 C LYS X 80 80.064 0.387 5.247 1.00 0.00 C ATOM 1162 O LYS X 80 80.819 1.157 5.825 1.00 0.00 O ATOM 1163 CB LYS X 80 78.131 -0.571 6.597 1.00 0.00 C ATOM 1164 CG LYS X 80 78.658 -1.984 6.445 1.00 0.00 C ATOM 1165 CD LYS X 80 78.177 -2.881 7.566 1.00 0.00 C ATOM 1166 CE LYS X 80 78.779 -4.275 7.460 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.255 -4.272 7.651 1.00 0.00 N ATOM 0 H LYS X 80 77.254 -0.580 4.206 1.00 0.00 H new ATOM 0 HA LYS X 80 78.297 1.431 5.866 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.457 -0.185 7.563 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.042 -0.611 6.621 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.335 -2.392 5.487 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.748 -1.967 6.433 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.444 -2.440 8.527 1.00 0.00 H new ATOM 0 HD3 LYS X 80 77.090 -2.950 7.538 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.320 -4.924 8.206 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.543 -4.696 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.587 -5.245 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.714 -3.881 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.497 -3.687 8.476 1.00 0.00 H new ATOM 1181 N GLU X 81 80.470 -0.481 4.328 1.00 0.00 N ATOM 1182 CA GLU X 81 81.867 -0.661 3.995 1.00 0.00 C ATOM 1183 C GLU X 81 82.413 0.548 3.240 1.00 0.00 C ATOM 1184 O GLU X 81 83.545 0.960 3.451 1.00 0.00 O ATOM 1185 CB GLU X 81 82.058 -1.960 3.209 1.00 0.00 C ATOM 1186 CG GLU X 81 81.568 -3.178 3.976 1.00 0.00 C ATOM 1187 CD GLU X 81 81.723 -4.476 3.231 1.00 0.00 C ATOM 1188 OE1 GLU X 81 80.898 -4.794 2.356 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.662 -5.234 3.546 1.00 0.00 O ATOM 0 H GLU X 81 79.836 -1.077 3.796 1.00 0.00 H new ATOM 0 HA GLU X 81 82.440 -0.741 4.919 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.523 -1.891 2.262 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.114 -2.085 2.970 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.113 -3.245 4.918 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.516 -3.038 4.226 1.00 0.00 H new ATOM 1196 N TRP X 82 81.586 1.137 2.396 1.00 0.00 N ATOM 1197 CA TRP X 82 81.969 2.326 1.639 1.00 0.00 C ATOM 1198 C TRP X 82 82.075 3.490 2.583 1.00 0.00 C ATOM 1199 O TRP X 82 83.057 4.224 2.595 1.00 0.00 O ATOM 1200 CB TRP X 82 80.883 2.646 0.630 1.00 0.00 C ATOM 1201 CG TRP X 82 81.227 3.715 -0.378 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.937 3.551 -1.533 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.839 5.102 -0.341 1.00 0.00 C ATOM 1204 NE1 TRP X 82 81.994 4.737 -2.228 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.333 5.706 -1.518 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.118 5.885 0.567 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.125 7.050 -1.815 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.917 7.218 0.282 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.412 7.793 -0.898 1.00 0.00 C ATOM 0 H TRP X 82 80.637 0.812 2.213 1.00 0.00 H new ATOM 0 HA TRP X 82 82.919 2.146 1.135 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.630 1.732 0.092 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.989 2.955 1.171 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.389 2.624 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.454 4.874 -3.128 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.726 5.452 1.475 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.506 7.492 -2.724 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.368 7.832 0.980 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.231 8.840 -1.092 1.00 0.00 H new ATOM 1220 N ARG X 83 81.058 3.618 3.394 1.00 0.00 N ATOM 1221 CA ARG X 83 80.904 4.712 4.306 1.00 0.00 C ATOM 1222 C ARG X 83 82.068 4.724 5.303 1.00 0.00 C ATOM 1223 O ARG X 83 82.666 5.767 5.545 1.00 0.00 O ATOM 1224 CB ARG X 83 79.608 4.530 5.060 1.00 0.00 C ATOM 1225 CG ARG X 83 78.967 5.793 5.531 1.00 0.00 C ATOM 1226 CD ARG X 83 78.353 6.625 4.414 1.00 0.00 C ATOM 1227 NE ARG X 83 77.698 7.811 4.977 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.184 8.846 4.309 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.141 8.853 2.987 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.666 9.866 4.986 1.00 0.00 N ATOM 0 H ARG X 83 80.294 2.943 3.437 1.00 0.00 H new ATOM 0 HA ARG X 83 80.894 5.653 3.755 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.904 4.001 4.418 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.795 3.891 5.923 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.191 5.547 6.256 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.712 6.395 6.052 1.00 0.00 H new ATOM 0 HD2 ARG X 83 79.126 6.927 3.707 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.629 6.028 3.860 1.00 0.00 H new ATOM 0 HE ARG X 83 77.627 7.849 5.994 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.504 8.058 2.461 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.744 9.653 2.494 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.664 9.853 6.006 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.271 10.662 4.486 1.00 0.00 H new ATOM 1244 N ALA X 84 82.392 3.553 5.839 1.00 0.00 N ATOM 1245 CA ALA X 84 83.473 3.389 6.807 1.00 0.00 C ATOM 1246 C ALA X 84 84.836 3.624 6.174 1.00 0.00 C ATOM 1247 O ALA X 84 85.694 4.287 6.761 1.00 0.00 O ATOM 1248 CB ALA X 84 83.422 2.007 7.422 1.00 0.00 C ATOM 0 H ALA X 84 81.909 2.683 5.613 1.00 0.00 H new ATOM 0 HA ALA X 84 83.332 4.138 7.586 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.234 1.899 8.142 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.467 1.869 7.929 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.529 1.256 6.639 1.00 0.00 H new ATOM 1254 N ALA X 85 85.037 3.086 4.974 1.00 0.00 N ATOM 1255 CA ALA X 85 86.303 3.243 4.267 1.00 0.00 C ATOM 1256 C ALA X 85 86.526 4.691 3.870 1.00 0.00 C ATOM 1257 O ALA X 85 87.664 5.156 3.791 1.00 0.00 O ATOM 1258 CB ALA X 85 86.365 2.341 3.045 1.00 0.00 C ATOM 0 H ALA X 85 84.339 2.538 4.472 1.00 0.00 H new ATOM 0 HA ALA X 85 87.101 2.946 4.948 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.320 2.480 2.538 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.267 1.301 3.355 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.553 2.595 2.364 1.00 0.00 H new ATOM 1264 N ASN X 86 85.448 5.395 3.617 1.00 0.00 N ATOM 1265 CA ASN X 86 85.522 6.809 3.287 1.00 0.00 C ATOM 1266 C ASN X 86 85.736 7.597 4.581 1.00 0.00 C ATOM 1267 O ASN X 86 86.490 8.562 4.625 1.00 0.00 O ATOM 1268 CB ASN X 86 84.216 7.257 2.610 1.00 0.00 C ATOM 1269 CG ASN X 86 84.323 8.571 1.846 1.00 0.00 C ATOM 1270 OD1 ASN X 86 85.092 9.467 2.179 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.533 8.691 0.811 1.00 0.00 N ATOM 0 H ASN X 86 84.502 5.014 3.632 1.00 0.00 H new ATOM 0 HA ASN X 86 86.348 6.990 2.600 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.891 6.476 1.922 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.441 7.355 3.371 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.546 9.547 0.256 1.00 0.00 H new ATOM 0 HD22 ASN X 86 82.904 7.929 0.558 1.00 0.00 H new ATOM 1278 N GLY X 87 85.092 7.138 5.637 1.00 0.00 N ATOM 1279 CA GLY X 87 85.205 7.779 6.924 1.00 0.00 C ATOM 1280 C GLY X 87 84.041 8.700 7.182 1.00 0.00 C ATOM 1281 O GLY X 87 84.179 9.731 7.845 1.00 0.00 O ATOM 0 H GLY X 87 84.484 6.319 5.624 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.253 7.022 7.707 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.136 8.344 6.970 1.00 0.00 H new ATOM 1285 N LYS X 88 82.889 8.323 6.679 1.00 0.00 N ATOM 1286 CA LYS X 88 81.724 9.095 6.759 1.00 0.00 C ATOM 1287 C LYS X 88 80.707 8.375 7.637 1.00 0.00 C ATOM 1288 O LYS X 88 80.668 7.150 7.634 1.00 0.00 O ATOM 1289 CB LYS X 88 81.231 9.288 5.330 1.00 0.00 C ATOM 1290 CG LYS X 88 81.944 10.432 4.602 1.00 0.00 C ATOM 1291 CD LYS X 88 81.844 10.378 3.068 1.00 0.00 C ATOM 1292 CE LYS X 88 80.434 10.487 2.501 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.737 11.721 2.915 1.00 0.00 N ATOM 0 H LYS X 88 82.758 7.437 6.191 1.00 0.00 H new ATOM 0 HA LYS X 88 81.896 10.070 7.214 1.00 0.00 H new ATOM 0 HB2 LYS X 88 81.377 8.363 4.773 1.00 0.00 H new ATOM 0 HB3 LYS X 88 80.159 9.486 5.344 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.528 11.379 4.947 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.997 10.424 4.885 1.00 0.00 H new ATOM 0 HD2 LYS X 88 82.448 11.185 2.653 1.00 0.00 H new ATOM 0 HD3 LYS X 88 82.284 9.442 2.725 1.00 0.00 H new ATOM 0 HE2 LYS X 88 80.483 10.452 1.413 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.852 9.623 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 78.790 11.746 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.647 11.738 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.282 12.549 2.601 1.00 0.00 H new ATOM 1307 N PRO X 89 79.925 9.112 8.439 1.00 0.00 N ATOM 1308 CA PRO X 89 78.892 8.527 9.308 1.00 0.00 C ATOM 1309 C PRO X 89 77.815 7.825 8.510 1.00 0.00 C ATOM 1310 O PRO X 89 77.248 8.397 7.567 1.00 0.00 O ATOM 1311 CB PRO X 89 78.296 9.732 10.033 1.00 0.00 C ATOM 1312 CG PRO X 89 78.649 10.892 9.177 1.00 0.00 C ATOM 1313 CD PRO X 89 79.996 10.569 8.607 1.00 0.00 C ATOM 0 HA PRO X 89 79.308 7.775 9.978 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.216 9.634 10.144 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.711 9.837 11.035 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.912 11.036 8.387 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.679 11.814 9.757 1.00 0.00 H new ATOM 0 HD2 PRO X 89 80.169 11.079 7.660 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.803 10.862 9.279 1.00 0.00 H new ATOM 1321 N GLY X 90 77.549 6.606 8.862 1.00 0.00 N ATOM 1322 CA GLY X 90 76.581 5.841 8.164 1.00 0.00 C ATOM 1323 C GLY X 90 75.317 5.675 8.941 1.00 0.00 C ATOM 1324 O GLY X 90 74.607 6.653 9.211 1.00 0.00 O ATOM 0 H GLY X 90 77.998 6.121 9.639 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.358 6.323 7.212 1.00 0.00 H new ATOM 0 HA3 GLY X 90 76.995 4.859 7.935 1.00 0.00 H new ATOM 1328 N PHE X 91 75.077 4.460 9.348 1.00 0.00 N ATOM 1329 CA PHE X 91 73.842 4.075 9.994 1.00 0.00 C ATOM 1330 C PHE X 91 73.937 4.291 11.474 1.00 0.00 C ATOM 1331 O PHE X 91 75.028 4.513 12.018 1.00 0.00 O ATOM 1332 CB PHE X 91 73.554 2.589 9.734 1.00 0.00 C ATOM 1333 CG PHE X 91 73.660 2.212 8.300 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.691 2.588 7.409 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.752 1.497 7.836 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.800 2.260 6.086 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.859 1.170 6.506 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.882 1.552 5.633 1.00 0.00 C ATOM 0 H PHE X 91 75.741 3.693 9.241 1.00 0.00 H new ATOM 0 HA PHE X 91 73.039 4.688 9.585 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.251 1.984 10.314 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.552 2.352 10.092 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.834 3.148 7.754 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.526 1.194 8.526 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.028 2.561 5.393 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.714 0.612 6.152 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.962 1.297 4.587 1.00 0.00 H new ATOM 1348 N LYS X 92 72.820 4.249 12.120 1.00 0.00 N ATOM 1349 CA LYS X 92 72.767 4.333 13.500 1.00 0.00 C ATOM 1350 C LYS X 92 72.612 2.933 14.033 1.00 0.00 C ATOM 1351 O LYS X 92 72.358 1.980 13.279 1.00 0.00 O ATOM 1352 CB LYS X 92 71.581 5.166 13.931 1.00 0.00 C ATOM 1353 CG LYS X 92 70.227 4.539 13.674 1.00 0.00 C ATOM 1354 CD LYS X 92 69.083 5.365 14.249 1.00 0.00 C ATOM 1355 CE LYS X 92 69.121 5.431 15.770 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.978 6.194 16.320 1.00 0.00 N ATOM 0 H LYS X 92 71.909 4.153 11.671 1.00 0.00 H new ATOM 0 HA LYS X 92 73.673 4.802 13.883 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.671 5.374 14.997 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.624 6.125 13.415 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.082 4.422 12.600 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.204 3.540 14.109 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.129 6.376 13.843 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.133 4.936 13.930 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.112 4.420 16.177 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.054 5.895 16.090 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.042 6.215 17.358 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.001 7.166 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.087 5.737 16.037 1.00 0.00 H new ATOM 1370 N GLN X 93 72.730 2.809 15.287 1.00 0.00 N ATOM 1371 CA GLN X 93 72.592 1.584 15.931 1.00 0.00 C ATOM 1372 C GLN X 93 71.193 1.455 16.476 1.00 0.00 C ATOM 1373 O GLN X 93 70.572 2.436 16.918 1.00 0.00 O ATOM 1374 CB GLN X 93 73.621 1.467 17.029 1.00 0.00 C ATOM 1375 CG GLN X 93 75.047 1.126 16.557 1.00 0.00 C ATOM 1376 CD GLN X 93 75.755 2.220 15.748 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.546 3.469 16.090 1.00 0.00 O flip ATOM 1378 NE2 GLN X 93 76.542 1.917 14.851 1.00 0.00 N flip ATOM 0 H GLN X 93 72.933 3.588 15.914 1.00 0.00 H new ATOM 0 HA GLN X 93 72.759 0.772 15.223 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.652 2.408 17.578 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.294 0.700 17.731 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.655 0.895 17.432 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.004 0.221 15.951 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.684 0.937 14.607 1.00 0.00 H new ATOM 0 HE22 GLN X 93 77.052 2.646 14.352 1.00 0.00 H new ATOM 1387 N GLY X 94 70.694 0.292 16.369 1.00 0.00 N ATOM 1388 CA GLY X 94 69.406 -0.049 16.834 1.00 0.00 C ATOM 1389 C GLY X 94 68.977 -1.262 16.099 1.00 0.00 C ATOM 1390 O GLY X 94 69.866 -2.036 15.695 1.00 0.00 O ATOM 1391 OXT GLY X 94 67.783 -1.452 15.866 1.00 0.00 O ATOM 0 H GLY X 94 71.190 -0.487 15.936 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.423 -0.236 17.908 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.707 0.770 16.664 1.00 0.00 H new TER 1395 GLY X 94