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 173:sc= 0.21 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.848! C(o=-0.64!,f=-7.6!) USER MOD Single : X 4 LYS NZ :NH3+ -142:sc= 0.365 (180deg=-2.38!) USER MOD Single : X 5 ASN :FLIP amide:sc= -0.0871 F(o=-1.4!,f=-0.087) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot -36:sc= 0.264 USER MOD Single : X 11 THR OG1 : rot 180:sc= -0.335 USER MOD Single : X 17 GLN :FLIP amide:sc= -0.0369 F(o=-1.3!,f=-0.037) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ -167:sc= 1.37 (180deg=1.2) USER MOD Single : X 26 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.37) USER MOD Single : X 30 THR OG1 : rot 153:sc= -1.6! USER MOD Single : X 43 LYS NZ :NH3+ -167:sc= -0.0312 (180deg=-0.217) USER MOD Single : X 45 THR OG1 : rot -88:sc= 1.26 USER MOD Single : X 47 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-4.6!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0.875 K(o=0.87,f=-3.5!) USER MOD Single : X 77 LYS NZ :NH3+ -111:sc= 0.336 (180deg=0.0115) USER MOD Single : X 80 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.18) USER MOD Single : X 86 ASN : amide:sc= -2.25! C(o=-2.3!,f=-4.8!) USER MOD Single : X 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= 0.972 K(o=0.97,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.646 2.494 8.477 1.00 0.00 N ATOM 2 CA GLU X 2 60.298 3.877 8.179 1.00 0.00 C ATOM 3 C GLU X 2 61.337 4.421 7.228 1.00 0.00 C ATOM 4 O GLU X 2 62.477 3.950 7.212 1.00 0.00 O ATOM 5 CB GLU X 2 60.320 4.728 9.453 1.00 0.00 C ATOM 6 CG GLU X 2 59.548 4.158 10.629 1.00 0.00 C ATOM 7 CD GLU X 2 59.655 5.036 11.853 1.00 0.00 C ATOM 8 OE1 GLU X 2 60.783 5.238 12.365 1.00 0.00 O ATOM 9 OE2 GLU X 2 58.630 5.569 12.315 1.00 0.00 O ATOM 0 HA GLU X 2 59.298 3.913 7.747 1.00 0.00 H new ATOM 0 HB2 GLU X 2 61.357 4.872 9.756 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.917 5.713 9.219 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.499 4.045 10.354 1.00 0.00 H new ATOM 0 HG3 GLU X 2 59.925 3.162 10.862 1.00 0.00 H new ATOM 16 N LEU X 3 60.962 5.379 6.441 1.00 0.00 N ATOM 17 CA LEU X 3 61.886 6.006 5.539 1.00 0.00 C ATOM 18 C LEU X 3 62.440 7.223 6.217 1.00 0.00 C ATOM 19 O LEU X 3 61.683 8.031 6.761 1.00 0.00 O ATOM 20 CB LEU X 3 61.194 6.414 4.248 1.00 0.00 C ATOM 21 CG LEU X 3 60.538 5.299 3.460 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.962 5.845 2.161 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.530 4.194 3.183 1.00 0.00 C ATOM 0 H LEU X 3 60.013 5.750 6.402 1.00 0.00 H new ATOM 0 HA LEU X 3 62.681 5.305 5.287 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.434 7.158 4.487 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.927 6.902 3.606 1.00 0.00 H new ATOM 0 HG LEU X 3 59.723 4.883 4.052 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.493 5.035 1.602 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.218 6.609 2.386 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.762 6.282 1.564 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.042 3.401 2.616 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.365 4.591 2.606 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.899 3.791 4.126 1.00 0.00 H new ATOM 35 N LYS X 4 63.723 7.338 6.240 1.00 0.00 N ATOM 36 CA LYS X 4 64.355 8.446 6.892 1.00 0.00 C ATOM 37 C LYS X 4 64.761 9.489 5.869 1.00 0.00 C ATOM 38 O LYS X 4 64.529 9.335 4.670 1.00 0.00 O ATOM 39 CB LYS X 4 65.612 7.998 7.627 1.00 0.00 C ATOM 40 CG LYS X 4 65.529 6.714 8.418 1.00 0.00 C ATOM 41 CD LYS X 4 64.317 6.572 9.252 1.00 0.00 C ATOM 42 CE LYS X 4 64.618 5.552 10.307 1.00 0.00 C ATOM 43 NZ LYS X 4 63.446 5.066 11.040 1.00 0.00 N ATOM 0 H LYS X 4 64.366 6.673 5.811 1.00 0.00 H new ATOM 0 HA LYS X 4 63.640 8.862 7.602 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.412 7.892 6.894 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.907 8.796 8.308 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.575 5.874 7.725 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.405 6.644 9.062 1.00 0.00 H new ATOM 0 HD2 LYS X 4 64.049 7.526 9.706 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.468 6.258 8.645 1.00 0.00 H new ATOM 0 HE2 LYS X 4 65.116 4.702 9.840 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.322 5.982 11.019 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.694 4.931 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.677 5.762 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 63.134 4.160 10.635 1.00 0.00 H new ATOM 57 N ASN X 5 65.372 10.542 6.333 1.00 0.00 N ATOM 58 CA ASN X 5 65.872 11.556 5.442 1.00 0.00 C ATOM 59 C ASN X 5 67.372 11.478 5.303 1.00 0.00 C ATOM 60 O ASN X 5 67.947 12.067 4.386 1.00 0.00 O ATOM 61 CB ASN X 5 65.396 12.960 5.836 1.00 0.00 C ATOM 62 CG ASN X 5 63.898 13.167 5.612 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.342 12.543 4.589 1.00 0.00 O flip ATOM 64 ND2 ASN X 5 63.244 13.915 6.349 1.00 0.00 N flip ATOM 0 H ASN X 5 65.537 10.723 7.323 1.00 0.00 H new ATOM 0 HA ASN X 5 65.449 11.356 4.458 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.628 13.135 6.886 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.950 13.701 5.259 1.00 0.00 H new ATOM 0 HD21 ASN X 5 63.699 14.384 7.132 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.250 14.062 6.174 1.00 0.00 H new ATOM 71 N SER X 6 68.008 10.732 6.184 1.00 0.00 N ATOM 72 CA SER X 6 69.437 10.542 6.126 1.00 0.00 C ATOM 73 C SER X 6 69.789 9.110 6.523 1.00 0.00 C ATOM 74 O SER X 6 68.989 8.433 7.189 1.00 0.00 O ATOM 75 CB SER X 6 70.148 11.558 7.021 1.00 0.00 C ATOM 76 OG SER X 6 69.692 11.482 8.371 1.00 0.00 O ATOM 0 H SER X 6 67.549 10.245 6.954 1.00 0.00 H new ATOM 0 HA SER X 6 69.778 10.706 5.104 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.223 11.381 6.990 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.979 12.564 6.636 1.00 0.00 H new ATOM 0 HG SER X 6 70.168 12.143 8.915 1.00 0.00 H new ATOM 82 N ILE X 7 70.978 8.661 6.137 1.00 0.00 N ATOM 83 CA ILE X 7 71.440 7.294 6.405 1.00 0.00 C ATOM 84 C ILE X 7 71.702 7.091 7.913 1.00 0.00 C ATOM 85 O ILE X 7 71.592 5.991 8.436 1.00 0.00 O ATOM 86 CB ILE X 7 72.745 6.986 5.588 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.119 5.488 5.631 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.917 7.850 6.061 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.401 5.149 4.901 1.00 0.00 C ATOM 0 H ILE X 7 71.654 9.231 5.628 1.00 0.00 H new ATOM 0 HA ILE X 7 70.656 6.604 6.092 1.00 0.00 H new ATOM 0 HB ILE X 7 72.531 7.240 4.550 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.213 5.178 6.672 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.303 4.908 5.199 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.805 7.612 5.475 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.668 8.903 5.931 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.114 7.651 7.114 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.592 4.079 4.979 1.00 0.00 H new ATOM 0 HD12 ILE X 7 74.306 5.425 3.851 1.00 0.00 H new ATOM 0 HD13 ILE X 7 75.230 5.699 5.347 1.00 0.00 H new ATOM 101 N SER X 8 71.940 8.184 8.614 1.00 0.00 N ATOM 102 CA SER X 8 72.316 8.119 10.001 1.00 0.00 C ATOM 103 C SER X 8 71.086 8.012 10.909 1.00 0.00 C ATOM 104 O SER X 8 71.214 7.884 12.126 1.00 0.00 O ATOM 105 CB SER X 8 73.191 9.329 10.376 1.00 0.00 C ATOM 106 OG SER X 8 73.682 9.224 11.707 1.00 0.00 O ATOM 0 H SER X 8 71.877 9.130 8.237 1.00 0.00 H new ATOM 0 HA SER X 8 72.905 7.214 10.153 1.00 0.00 H new ATOM 0 HB2 SER X 8 74.029 9.402 9.683 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.610 10.246 10.272 1.00 0.00 H new ATOM 0 HG SER X 8 73.000 8.810 12.276 1.00 0.00 H new ATOM 112 N ASP X 9 69.902 8.055 10.320 1.00 0.00 N ATOM 113 CA ASP X 9 68.676 7.901 11.100 1.00 0.00 C ATOM 114 C ASP X 9 68.238 6.459 10.950 1.00 0.00 C ATOM 115 O ASP X 9 67.315 5.994 11.593 1.00 0.00 O ATOM 116 CB ASP X 9 67.560 8.799 10.555 1.00 0.00 C ATOM 117 CG ASP X 9 66.488 9.146 11.581 1.00 0.00 C ATOM 118 OD1 ASP X 9 65.565 8.346 11.821 1.00 0.00 O ATOM 119 OD2 ASP X 9 66.549 10.249 12.163 1.00 0.00 O ATOM 0 H ASP X 9 69.760 8.193 9.319 1.00 0.00 H new ATOM 0 HA ASP X 9 68.863 8.175 12.138 1.00 0.00 H new ATOM 0 HB2 ASP X 9 68.001 9.722 10.179 1.00 0.00 H new ATOM 0 HB3 ASP X 9 67.089 8.302 9.707 1.00 0.00 H new ATOM 124 N TYR X 10 68.978 5.743 10.140 1.00 0.00 N ATOM 125 CA TYR X 10 68.644 4.397 9.759 1.00 0.00 C ATOM 126 C TYR X 10 69.407 3.438 10.579 1.00 0.00 C ATOM 127 O TYR X 10 70.631 3.509 10.622 1.00 0.00 O ATOM 128 CB TYR X 10 68.985 4.107 8.266 1.00 0.00 C ATOM 129 CG TYR X 10 67.865 4.317 7.266 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.837 3.395 7.177 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.832 5.412 6.414 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.801 3.550 6.283 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.782 5.580 5.516 1.00 0.00 C ATOM 134 CZ TYR X 10 65.775 4.637 5.464 1.00 0.00 C ATOM 135 OH TYR X 10 64.724 4.804 4.616 1.00 0.00 O ATOM 0 H TYR X 10 69.842 6.086 9.721 1.00 0.00 H new ATOM 0 HA TYR X 10 67.570 4.287 9.911 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.824 4.741 7.978 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.324 3.074 8.187 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.847 2.531 7.825 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.629 6.141 6.448 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.013 2.813 6.232 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.755 6.441 4.865 1.00 0.00 H new ATOM 0 HH TYR X 10 64.792 5.679 4.179 1.00 0.00 H new ATOM 145 N THR X 11 68.720 2.577 11.277 1.00 0.00 N ATOM 146 CA THR X 11 69.390 1.469 11.859 1.00 0.00 C ATOM 147 C THR X 11 69.654 0.555 10.683 1.00 0.00 C ATOM 148 O THR X 11 68.966 0.683 9.642 1.00 0.00 O ATOM 149 CB THR X 11 68.516 0.735 12.911 1.00 0.00 C ATOM 150 OG1 THR X 11 67.302 0.305 12.314 1.00 0.00 O ATOM 151 CG2 THR X 11 68.206 1.625 14.101 1.00 0.00 C ATOM 0 H THR X 11 67.716 2.626 11.450 1.00 0.00 H new ATOM 0 HA THR X 11 70.289 1.779 12.392 1.00 0.00 H new ATOM 0 HB THR X 11 69.081 -0.126 13.269 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.755 -0.159 12.982 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.593 1.076 14.816 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.137 1.929 14.580 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.666 2.509 13.763 1.00 0.00 H new ATOM 159 N GLU X 12 70.592 -0.324 10.778 1.00 0.00 N ATOM 160 CA GLU X 12 70.870 -1.158 9.644 1.00 0.00 C ATOM 161 C GLU X 12 69.675 -2.051 9.286 1.00 0.00 C ATOM 162 O GLU X 12 69.397 -2.255 8.131 1.00 0.00 O ATOM 163 CB GLU X 12 72.172 -1.906 9.802 1.00 0.00 C ATOM 164 CG GLU X 12 72.283 -2.711 11.067 1.00 0.00 C ATOM 165 CD GLU X 12 73.630 -3.322 11.199 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.982 -4.201 10.384 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.381 -2.920 12.114 1.00 0.00 O ATOM 0 H GLU X 12 71.170 -0.487 11.603 1.00 0.00 H new ATOM 0 HA GLU X 12 71.014 -0.510 8.780 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.298 -2.574 8.950 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.993 -1.190 9.770 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.085 -2.071 11.927 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.524 -3.493 11.071 1.00 0.00 H new ATOM 174 N ALA X 13 68.924 -2.484 10.287 1.00 0.00 N ATOM 175 CA ALA X 13 67.705 -3.269 10.058 1.00 0.00 C ATOM 176 C ALA X 13 66.596 -2.398 9.429 1.00 0.00 C ATOM 177 O ALA X 13 65.845 -2.869 8.566 1.00 0.00 O ATOM 178 CB ALA X 13 67.240 -3.926 11.341 1.00 0.00 C ATOM 0 H ALA X 13 69.132 -2.308 11.270 1.00 0.00 H new ATOM 0 HA ALA X 13 67.937 -4.062 9.347 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.335 -4.502 11.147 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.020 -4.590 11.714 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.029 -3.159 12.087 1.00 0.00 H new ATOM 184 N GLU X 14 66.485 -1.132 9.861 1.00 0.00 N ATOM 185 CA GLU X 14 65.553 -0.179 9.224 1.00 0.00 C ATOM 186 C GLU X 14 65.902 -0.033 7.770 1.00 0.00 C ATOM 187 O GLU X 14 65.026 0.064 6.897 1.00 0.00 O ATOM 188 CB GLU X 14 65.622 1.197 9.900 1.00 0.00 C ATOM 189 CG GLU X 14 64.514 1.453 10.890 1.00 0.00 C ATOM 190 CD GLU X 14 63.196 1.657 10.198 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.486 0.688 9.924 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.849 2.812 9.910 1.00 0.00 O ATOM 0 H GLU X 14 67.020 -0.745 10.638 1.00 0.00 H new ATOM 0 HA GLU X 14 64.540 -0.568 9.331 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.580 1.291 10.411 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.593 1.969 9.131 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.438 0.612 11.579 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.753 2.333 11.487 1.00 0.00 H new ATOM 199 N PHE X 15 67.177 -0.047 7.513 1.00 0.00 N ATOM 200 CA PHE X 15 67.676 0.103 6.197 1.00 0.00 C ATOM 201 C PHE X 15 67.453 -1.166 5.397 1.00 0.00 C ATOM 202 O PHE X 15 67.072 -1.089 4.254 1.00 0.00 O ATOM 203 CB PHE X 15 69.146 0.481 6.234 1.00 0.00 C ATOM 204 CG PHE X 15 69.678 1.022 4.949 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.399 2.317 4.562 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.480 0.256 4.149 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.916 2.824 3.396 1.00 0.00 C ATOM 208 CE2 PHE X 15 70.998 0.754 2.980 1.00 0.00 C ATOM 209 CZ PHE X 15 70.715 2.040 2.606 1.00 0.00 C ATOM 0 H PHE X 15 67.898 -0.165 8.224 1.00 0.00 H new ATOM 0 HA PHE X 15 67.132 0.908 5.702 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.298 1.224 7.017 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.727 -0.398 6.512 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.768 2.937 5.182 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.710 -0.758 4.442 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.693 3.839 3.102 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.626 0.134 2.358 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.122 2.437 1.688 1.00 0.00 H new ATOM 219 N VAL X 16 67.665 -2.341 6.011 1.00 0.00 N ATOM 220 CA VAL X 16 67.455 -3.603 5.296 1.00 0.00 C ATOM 221 C VAL X 16 66.007 -3.760 4.877 1.00 0.00 C ATOM 222 O VAL X 16 65.733 -4.335 3.853 1.00 0.00 O ATOM 223 CB VAL X 16 67.932 -4.894 6.034 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.330 -4.802 6.539 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.979 -5.360 7.081 1.00 0.00 C ATOM 0 H VAL X 16 67.974 -2.441 6.978 1.00 0.00 H new ATOM 0 HA VAL X 16 68.102 -3.515 4.423 1.00 0.00 H new ATOM 0 HB VAL X 16 67.940 -5.669 5.268 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.597 -5.732 7.041 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.008 -4.633 5.703 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.409 -3.974 7.243 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.371 -6.260 7.555 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.854 -4.580 7.832 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.015 -5.581 6.623 1.00 0.00 H new ATOM 235 N GLN X 17 65.085 -3.224 5.672 1.00 0.00 N ATOM 236 CA GLN X 17 63.697 -3.251 5.338 1.00 0.00 C ATOM 237 C GLN X 17 63.483 -2.419 4.095 1.00 0.00 C ATOM 238 O GLN X 17 62.823 -2.846 3.160 1.00 0.00 O ATOM 239 CB GLN X 17 62.883 -2.664 6.455 1.00 0.00 C ATOM 240 CG GLN X 17 61.430 -2.695 6.141 1.00 0.00 C ATOM 241 CD GLN X 17 60.577 -1.890 7.078 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.097 -0.807 7.571 1.00 0.00 O flip ATOM 243 NE2 GLN X 17 59.429 -2.231 7.331 1.00 0.00 N flip ATOM 0 H GLN X 17 65.296 -2.765 6.558 1.00 0.00 H new ATOM 0 HA GLN X 17 63.387 -4.283 5.171 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.070 -3.219 7.374 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.196 -1.635 6.634 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.282 -2.326 5.126 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.089 -3.730 6.157 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.051 -3.088 6.927 1.00 0.00 H new ATOM 0 HE22 GLN X 17 58.851 -1.658 7.946 1.00 0.00 H new ATOM 252 N LEU X 18 64.085 -1.242 4.098 1.00 0.00 N ATOM 253 CA LEU X 18 64.031 -0.325 2.980 1.00 0.00 C ATOM 254 C LEU X 18 64.603 -1.016 1.751 1.00 0.00 C ATOM 255 O LEU X 18 64.040 -0.974 0.677 1.00 0.00 O ATOM 256 CB LEU X 18 64.802 0.970 3.356 1.00 0.00 C ATOM 257 CG LEU X 18 65.027 2.097 2.305 1.00 0.00 C ATOM 258 CD1 LEU X 18 66.261 1.833 1.462 1.00 0.00 C ATOM 259 CD2 LEU X 18 63.816 2.283 1.409 1.00 0.00 C ATOM 0 H LEU X 18 64.630 -0.895 4.887 1.00 0.00 H new ATOM 0 HA LEU X 18 63.006 -0.038 2.747 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.280 1.419 4.201 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.785 0.665 3.714 1.00 0.00 H new ATOM 0 HG LEU X 18 65.181 3.019 2.865 1.00 0.00 H new ATOM 0 HD11 LEU X 18 66.387 2.639 0.739 1.00 0.00 H new ATOM 0 HD12 LEU X 18 67.138 1.783 2.107 1.00 0.00 H new ATOM 0 HD13 LEU X 18 66.145 0.887 0.933 1.00 0.00 H new ATOM 0 HD21 LEU X 18 64.014 3.078 0.690 1.00 0.00 H new ATOM 0 HD22 LEU X 18 63.612 1.354 0.876 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.951 2.550 2.017 1.00 0.00 H new ATOM 271 N LEU X 19 65.695 -1.675 1.965 1.00 0.00 N ATOM 272 CA LEU X 19 66.372 -2.470 0.966 1.00 0.00 C ATOM 273 C LEU X 19 65.477 -3.565 0.398 1.00 0.00 C ATOM 274 O LEU X 19 65.481 -3.815 -0.799 1.00 0.00 O ATOM 275 CB LEU X 19 67.581 -3.069 1.597 1.00 0.00 C ATOM 276 CG LEU X 19 68.662 -2.077 1.958 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.870 -2.763 2.438 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.988 -1.175 0.814 1.00 0.00 C ATOM 0 H LEU X 19 66.165 -1.681 2.870 1.00 0.00 H new ATOM 0 HA LEU X 19 66.647 -1.827 0.130 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.278 -3.600 2.499 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.000 -3.810 0.917 1.00 0.00 H new ATOM 0 HG LEU X 19 68.275 -1.458 2.767 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.631 -2.025 2.691 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.627 -3.351 3.323 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.249 -3.422 1.657 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.769 -0.476 1.113 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.337 -1.770 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.096 -0.620 0.523 1.00 0.00 H new ATOM 290 N LYS X 20 64.696 -4.199 1.257 1.00 0.00 N ATOM 291 CA LYS X 20 63.746 -5.215 0.830 1.00 0.00 C ATOM 292 C LYS X 20 62.601 -4.574 0.060 1.00 0.00 C ATOM 293 O LYS X 20 62.013 -5.179 -0.828 1.00 0.00 O ATOM 294 CB LYS X 20 63.193 -6.015 1.984 1.00 0.00 C ATOM 295 CG LYS X 20 64.249 -6.732 2.798 1.00 0.00 C ATOM 296 CD LYS X 20 63.670 -7.494 3.968 1.00 0.00 C ATOM 297 CE LYS X 20 64.775 -8.167 4.769 1.00 0.00 C ATOM 298 NZ LYS X 20 64.247 -8.923 5.922 1.00 0.00 N ATOM 0 H LYS X 20 64.701 -4.027 2.262 1.00 0.00 H new ATOM 0 HA LYS X 20 64.291 -5.904 0.185 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.634 -5.348 2.640 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.486 -6.749 1.598 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.791 -7.423 2.153 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.973 -6.005 3.166 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.110 -6.814 4.610 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.966 -8.244 3.608 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.333 -8.841 4.119 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.477 -7.412 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.035 -9.364 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.736 -8.276 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.597 -9.662 5.585 1.00 0.00 H new ATOM 312 N GLU X 21 62.241 -3.379 0.455 1.00 0.00 N ATOM 313 CA GLU X 21 61.257 -2.605 -0.266 1.00 0.00 C ATOM 314 C GLU X 21 61.753 -2.321 -1.675 1.00 0.00 C ATOM 315 O GLU X 21 61.003 -2.444 -2.646 1.00 0.00 O ATOM 316 CB GLU X 21 60.945 -1.313 0.471 1.00 0.00 C ATOM 317 CG GLU X 21 60.188 -1.513 1.762 1.00 0.00 C ATOM 318 CD GLU X 21 58.754 -1.893 1.521 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.472 -3.035 1.096 1.00 0.00 O ATOM 320 OE2 GLU X 21 57.878 -1.033 1.717 1.00 0.00 O ATOM 0 H GLU X 21 62.618 -2.915 1.281 1.00 0.00 H new ATOM 0 HA GLU X 21 60.334 -3.182 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.879 -0.794 0.686 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.363 -0.664 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.675 -2.290 2.351 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.226 -0.596 2.350 1.00 0.00 H new ATOM 327 N ILE X 22 63.031 -1.980 -1.779 1.00 0.00 N ATOM 328 CA ILE X 22 63.661 -1.737 -3.066 1.00 0.00 C ATOM 329 C ILE X 22 63.681 -3.034 -3.856 1.00 0.00 C ATOM 330 O ILE X 22 63.425 -3.046 -5.054 1.00 0.00 O ATOM 331 CB ILE X 22 65.108 -1.213 -2.941 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.178 -0.053 -1.951 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.596 -0.761 -4.307 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.542 0.582 -1.840 1.00 0.00 C ATOM 0 H ILE X 22 63.654 -1.865 -0.980 1.00 0.00 H new ATOM 0 HA ILE X 22 63.077 -0.967 -3.570 1.00 0.00 H new ATOM 0 HB ILE X 22 65.745 -2.016 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.458 0.709 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.875 -0.411 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.618 -0.390 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.571 -1.603 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.950 0.034 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.506 1.397 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.265 -0.164 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.842 0.973 -2.812 1.00 0.00 H new ATOM 346 N GLU X 23 63.950 -4.124 -3.143 1.00 0.00 N ATOM 347 CA GLU X 23 63.968 -5.443 -3.671 1.00 0.00 C ATOM 348 C GLU X 23 62.605 -5.732 -4.297 1.00 0.00 C ATOM 349 O GLU X 23 62.514 -6.137 -5.449 1.00 0.00 O ATOM 350 CB GLU X 23 64.182 -6.388 -2.483 1.00 0.00 C ATOM 351 CG GLU X 23 64.011 -7.818 -2.804 1.00 0.00 C ATOM 352 CD GLU X 23 63.721 -8.672 -1.599 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.660 -9.088 -0.911 1.00 0.00 O ATOM 354 OE2 GLU X 23 62.538 -8.998 -1.351 1.00 0.00 O ATOM 0 H GLU X 23 64.167 -4.088 -2.147 1.00 0.00 H new ATOM 0 HA GLU X 23 64.748 -5.568 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.186 -6.234 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.483 -6.120 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU X 23 63.197 -7.927 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU X 23 64.915 -8.184 -3.290 1.00 0.00 H new ATOM 361 N LYS X 24 61.560 -5.419 -3.549 1.00 0.00 N ATOM 362 CA LYS X 24 60.195 -5.656 -3.957 1.00 0.00 C ATOM 363 C LYS X 24 59.848 -4.856 -5.207 1.00 0.00 C ATOM 364 O LYS X 24 59.297 -5.396 -6.163 1.00 0.00 O ATOM 365 CB LYS X 24 59.232 -5.300 -2.821 1.00 0.00 C ATOM 366 CG LYS X 24 58.193 -6.377 -2.535 1.00 0.00 C ATOM 367 CD LYS X 24 58.843 -7.664 -2.015 1.00 0.00 C ATOM 368 CE LYS X 24 59.490 -7.465 -0.640 1.00 0.00 C ATOM 369 NZ LYS X 24 60.172 -8.685 -0.167 1.00 0.00 N ATOM 0 H LYS X 24 61.643 -4.987 -2.629 1.00 0.00 H new ATOM 0 HA LYS X 24 60.093 -6.716 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.808 -5.114 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS X 24 58.719 -4.371 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.478 -6.007 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.633 -6.593 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.091 -8.450 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS X 24 59.598 -8.002 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS X 24 60.207 -6.646 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.726 -7.174 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 60.402 -8.585 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 59.547 -9.506 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 61.048 -8.826 -0.710 1.00 0.00 H new ATOM 383 N GLU X 25 60.177 -3.582 -5.206 1.00 0.00 N ATOM 384 CA GLU X 25 59.879 -2.724 -6.326 1.00 0.00 C ATOM 385 C GLU X 25 60.712 -3.082 -7.557 1.00 0.00 C ATOM 386 O GLU X 25 60.249 -2.948 -8.682 1.00 0.00 O ATOM 387 CB GLU X 25 60.070 -1.258 -5.943 1.00 0.00 C ATOM 388 CG GLU X 25 59.140 -0.776 -4.845 1.00 0.00 C ATOM 389 CD GLU X 25 57.683 -0.918 -5.215 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.151 -0.068 -5.971 1.00 0.00 O ATOM 391 OE2 GLU X 25 57.045 -1.878 -4.781 1.00 0.00 O ATOM 0 H GLU X 25 60.655 -3.117 -4.434 1.00 0.00 H new ATOM 0 HA GLU X 25 58.833 -2.880 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU X 25 61.101 -1.109 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.920 -0.640 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.336 -1.341 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU X 25 59.355 0.270 -4.625 1.00 0.00 H new ATOM 398 N ASN X 26 61.917 -3.564 -7.341 1.00 0.00 N ATOM 399 CA ASN X 26 62.795 -3.905 -8.450 1.00 0.00 C ATOM 400 C ASN X 26 62.422 -5.260 -9.056 1.00 0.00 C ATOM 401 O ASN X 26 62.339 -5.392 -10.275 1.00 0.00 O ATOM 402 CB ASN X 26 64.274 -3.893 -8.022 1.00 0.00 C ATOM 403 CG ASN X 26 65.258 -4.018 -9.192 1.00 0.00 C ATOM 404 OD1 ASN X 26 66.329 -4.597 -9.056 1.00 0.00 O ATOM 405 ND2 ASN X 26 64.932 -3.444 -10.327 1.00 0.00 N ATOM 0 H ASN X 26 62.313 -3.729 -6.416 1.00 0.00 H new ATOM 0 HA ASN X 26 62.660 -3.141 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.479 -2.968 -7.484 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.447 -4.712 -7.324 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.576 -3.475 -11.118 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.035 -2.967 -10.418 1.00 0.00 H new ATOM 412 N VAL X 27 62.154 -6.262 -8.211 1.00 0.00 N ATOM 413 CA VAL X 27 61.815 -7.606 -8.716 1.00 0.00 C ATOM 414 C VAL X 27 60.421 -7.651 -9.341 1.00 0.00 C ATOM 415 O VAL X 27 60.148 -8.485 -10.195 1.00 0.00 O ATOM 416 CB VAL X 27 61.966 -8.749 -7.658 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.387 -8.816 -7.122 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.952 -8.626 -6.520 1.00 0.00 C ATOM 0 H VAL X 27 62.163 -6.176 -7.195 1.00 0.00 H new ATOM 0 HA VAL X 27 62.559 -7.798 -9.490 1.00 0.00 H new ATOM 0 HB VAL X 27 61.752 -9.686 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.462 -9.619 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.077 -9.009 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.642 -7.868 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.098 -9.442 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.092 -7.673 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.942 -8.674 -6.926 1.00 0.00 H new ATOM 428 N ALA X 28 59.542 -6.761 -8.915 1.00 0.00 N ATOM 429 CA ALA X 28 58.215 -6.684 -9.509 1.00 0.00 C ATOM 430 C ALA X 28 58.195 -5.616 -10.595 1.00 0.00 C ATOM 431 O ALA X 28 57.189 -5.445 -11.298 1.00 0.00 O ATOM 432 CB ALA X 28 57.168 -6.387 -8.450 1.00 0.00 C ATOM 0 H ALA X 28 59.718 -6.088 -8.169 1.00 0.00 H new ATOM 0 HA ALA X 28 57.976 -7.648 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.184 -6.334 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.173 -7.179 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.395 -5.434 -7.971 1.00 0.00 H new ATOM 438 N ALA X 29 59.335 -4.923 -10.717 1.00 0.00 N ATOM 439 CA ALA X 29 59.570 -3.819 -11.652 1.00 0.00 C ATOM 440 C ALA X 29 58.429 -2.824 -11.691 1.00 0.00 C ATOM 441 O ALA X 29 57.556 -2.860 -12.576 1.00 0.00 O ATOM 442 CB ALA X 29 59.967 -4.291 -13.033 1.00 0.00 C ATOM 0 H ALA X 29 60.152 -5.127 -10.142 1.00 0.00 H new ATOM 0 HA ALA X 29 60.430 -3.280 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.127 -3.429 -13.680 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.887 -4.872 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.173 -4.913 -13.447 1.00 0.00 H new ATOM 448 N THR X 30 58.408 -1.987 -10.711 1.00 0.00 N ATOM 449 CA THR X 30 57.393 -0.998 -10.577 1.00 0.00 C ATOM 450 C THR X 30 57.927 0.339 -11.089 1.00 0.00 C ATOM 451 O THR X 30 58.913 0.362 -11.849 1.00 0.00 O ATOM 452 CB THR X 30 57.001 -0.904 -9.109 1.00 0.00 C ATOM 453 OG1 THR X 30 58.136 -0.531 -8.346 1.00 0.00 O ATOM 454 CG2 THR X 30 56.519 -2.245 -8.613 1.00 0.00 C ATOM 0 H THR X 30 59.107 -1.970 -9.968 1.00 0.00 H new ATOM 0 HA THR X 30 56.512 -1.263 -11.162 1.00 0.00 H new ATOM 0 HB THR X 30 56.207 -0.165 -9.004 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.846 -0.066 -7.534 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.241 -2.166 -7.562 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.652 -2.558 -9.195 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.315 -2.981 -8.724 1.00 0.00 H new ATOM 462 N ASP X 31 57.312 1.445 -10.704 1.00 0.00 N ATOM 463 CA ASP X 31 57.784 2.732 -11.182 1.00 0.00 C ATOM 464 C ASP X 31 57.864 3.780 -10.112 1.00 0.00 C ATOM 465 O ASP X 31 58.958 4.249 -9.810 1.00 0.00 O ATOM 466 CB ASP X 31 56.988 3.235 -12.384 1.00 0.00 C ATOM 467 CG ASP X 31 57.418 4.620 -12.837 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.401 4.744 -13.598 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.777 5.608 -12.460 1.00 0.00 O ATOM 0 H ASP X 31 56.507 1.479 -10.079 1.00 0.00 H new ATOM 0 HA ASP X 31 58.807 2.549 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.106 2.534 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP X 31 55.928 3.253 -12.130 1.00 0.00 H new ATOM 474 N ASP X 32 56.726 4.139 -9.537 1.00 0.00 N ATOM 475 CA ASP X 32 56.658 5.224 -8.532 1.00 0.00 C ATOM 476 C ASP X 32 57.602 5.018 -7.422 1.00 0.00 C ATOM 477 O ASP X 32 58.527 5.795 -7.225 1.00 0.00 O ATOM 478 CB ASP X 32 55.255 5.408 -7.948 1.00 0.00 C ATOM 479 CG ASP X 32 54.250 5.948 -8.914 1.00 0.00 C ATOM 480 OD1 ASP X 32 53.724 5.183 -9.721 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.912 7.152 -8.842 1.00 0.00 O ATOM 0 H ASP X 32 55.827 3.702 -9.741 1.00 0.00 H new ATOM 0 HA ASP X 32 56.932 6.126 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.902 4.447 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.316 6.080 -7.092 1.00 0.00 H new ATOM 486 N VAL X 33 57.432 3.943 -6.754 1.00 0.00 N ATOM 487 CA VAL X 33 58.150 3.687 -5.579 1.00 0.00 C ATOM 488 C VAL X 33 59.489 3.130 -5.907 1.00 0.00 C ATOM 489 O VAL X 33 60.442 3.339 -5.178 1.00 0.00 O ATOM 490 CB VAL X 33 57.345 2.799 -4.640 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.106 2.524 -3.418 1.00 0.00 C ATOM 492 CG2 VAL X 33 56.115 3.516 -4.266 1.00 0.00 C ATOM 0 H VAL X 33 56.777 3.206 -7.017 1.00 0.00 H new ATOM 0 HA VAL X 33 58.320 4.622 -5.045 1.00 0.00 H new ATOM 0 HB VAL X 33 57.119 1.858 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.516 1.888 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL X 33 59.036 2.017 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.332 3.462 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.523 2.896 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.375 4.449 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.534 3.735 -5.162 1.00 0.00 H new ATOM 502 N LEU X 34 59.579 2.501 -7.051 1.00 0.00 N ATOM 503 CA LEU X 34 60.832 2.003 -7.537 1.00 0.00 C ATOM 504 C LEU X 34 61.774 3.178 -7.664 1.00 0.00 C ATOM 505 O LEU X 34 62.874 3.144 -7.139 1.00 0.00 O ATOM 506 CB LEU X 34 60.613 1.272 -8.877 1.00 0.00 C ATOM 507 CG LEU X 34 61.800 0.574 -9.571 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.579 1.543 -10.418 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.708 -0.133 -8.572 1.00 0.00 C ATOM 0 H LEU X 34 58.786 2.322 -7.667 1.00 0.00 H new ATOM 0 HA LEU X 34 61.270 1.277 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.842 0.519 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.206 1.998 -9.581 1.00 0.00 H new ATOM 0 HG LEU X 34 61.384 -0.191 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.410 1.023 -10.895 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.927 1.963 -11.183 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.966 2.346 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.531 -0.611 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.107 0.594 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.137 -0.888 -8.032 1.00 0.00 H new ATOM 521 N ASP X 35 61.292 4.259 -8.263 1.00 0.00 N ATOM 522 CA ASP X 35 62.119 5.451 -8.398 1.00 0.00 C ATOM 523 C ASP X 35 62.398 6.055 -7.077 1.00 0.00 C ATOM 524 O ASP X 35 63.547 6.394 -6.808 1.00 0.00 O ATOM 525 CB ASP X 35 61.548 6.501 -9.341 1.00 0.00 C ATOM 526 CG ASP X 35 62.506 7.676 -9.575 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.529 7.511 -10.285 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.240 8.780 -9.094 1.00 0.00 O ATOM 0 H ASP X 35 60.354 4.336 -8.655 1.00 0.00 H new ATOM 0 HA ASP X 35 63.049 5.106 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.313 6.034 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.611 6.879 -8.932 1.00 0.00 H new ATOM 533 N VAL X 36 61.365 6.142 -6.219 1.00 0.00 N ATOM 534 CA VAL X 36 61.545 6.755 -4.908 1.00 0.00 C ATOM 535 C VAL X 36 62.626 6.088 -4.173 1.00 0.00 C ATOM 536 O VAL X 36 63.530 6.728 -3.704 1.00 0.00 O ATOM 537 CB VAL X 36 60.355 6.563 -3.962 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.611 7.275 -2.672 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.111 7.020 -4.527 1.00 0.00 C ATOM 0 H VAL X 36 60.423 5.802 -6.411 1.00 0.00 H new ATOM 0 HA VAL X 36 61.717 7.806 -5.139 1.00 0.00 H new ATOM 0 HB VAL X 36 60.257 5.491 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.761 7.135 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.510 6.871 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.749 8.339 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.305 6.858 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.184 8.083 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.901 6.465 -5.441 1.00 0.00 H new ATOM 549 N LEU X 37 62.542 4.800 -4.126 1.00 0.00 N ATOM 550 CA LEU X 37 63.424 4.035 -3.345 1.00 0.00 C ATOM 551 C LEU X 37 64.797 4.049 -3.883 1.00 0.00 C ATOM 552 O LEU X 37 65.749 4.122 -3.127 1.00 0.00 O ATOM 553 CB LEU X 37 62.938 2.651 -3.176 1.00 0.00 C ATOM 554 CG LEU X 37 61.540 2.504 -2.574 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.137 1.060 -2.472 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.433 3.187 -1.215 1.00 0.00 C ATOM 0 H LEU X 37 61.849 4.254 -4.638 1.00 0.00 H new ATOM 0 HA LEU X 37 63.456 4.503 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.947 2.162 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.644 2.113 -2.543 1.00 0.00 H new ATOM 0 HG LEU X 37 60.849 3.004 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.139 0.991 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.135 0.612 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.845 0.529 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.424 3.059 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.150 2.741 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.648 4.250 -1.324 1.00 0.00 H new ATOM 568 N LEU X 38 64.900 3.998 -5.187 1.00 0.00 N ATOM 569 CA LEU X 38 66.172 4.036 -5.832 1.00 0.00 C ATOM 570 C LEU X 38 66.903 5.323 -5.500 1.00 0.00 C ATOM 571 O LEU X 38 68.048 5.289 -5.030 1.00 0.00 O ATOM 572 CB LEU X 38 66.015 3.893 -7.342 1.00 0.00 C ATOM 573 CG LEU X 38 65.620 2.521 -7.907 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.966 2.441 -9.368 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.231 1.363 -7.136 1.00 0.00 C ATOM 0 H LEU X 38 64.104 3.929 -5.822 1.00 0.00 H new ATOM 0 HA LEU X 38 66.763 3.197 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.266 4.615 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.959 4.183 -7.803 1.00 0.00 H new ATOM 0 HG LEU X 38 64.540 2.426 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.681 1.463 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.429 3.218 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.039 2.583 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.915 0.421 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.318 1.435 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.899 1.401 -6.098 1.00 0.00 H new ATOM 587 N GLU X 39 66.220 6.449 -5.666 1.00 0.00 N ATOM 588 CA GLU X 39 66.824 7.727 -5.363 1.00 0.00 C ATOM 589 C GLU X 39 66.989 7.925 -3.864 1.00 0.00 C ATOM 590 O GLU X 39 67.945 8.539 -3.419 1.00 0.00 O ATOM 591 CB GLU X 39 66.068 8.896 -5.976 1.00 0.00 C ATOM 592 CG GLU X 39 64.595 8.966 -5.617 1.00 0.00 C ATOM 593 CD GLU X 39 64.054 10.351 -5.637 1.00 0.00 C ATOM 594 OE1 GLU X 39 63.737 10.857 -6.711 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.932 10.978 -4.557 1.00 0.00 O ATOM 0 H GLU X 39 65.259 6.497 -6.005 1.00 0.00 H new ATOM 0 HA GLU X 39 67.813 7.709 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.547 9.824 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.160 8.840 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.028 8.351 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.449 8.540 -4.625 1.00 0.00 H new ATOM 602 N HIS X 40 66.051 7.389 -3.101 1.00 0.00 N ATOM 603 CA HIS X 40 66.049 7.488 -1.651 1.00 0.00 C ATOM 604 C HIS X 40 67.282 6.830 -1.118 1.00 0.00 C ATOM 605 O HIS X 40 67.991 7.388 -0.302 1.00 0.00 O ATOM 606 CB HIS X 40 64.793 6.789 -1.092 1.00 0.00 C ATOM 607 CG HIS X 40 64.601 6.897 0.378 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.809 7.842 0.974 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.108 6.148 1.377 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.858 7.649 2.280 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.635 6.630 2.581 1.00 0.00 N ATOM 0 H HIS X 40 65.259 6.866 -3.476 1.00 0.00 H new ATOM 0 HA HIS X 40 66.037 8.535 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.916 7.206 -1.587 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.837 5.733 -1.358 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.275 8.567 0.494 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.775 5.308 1.255 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.329 8.249 3.006 1.00 0.00 H new ATOM 619 N PHE X 41 67.544 5.677 -1.640 1.00 0.00 N ATOM 620 CA PHE X 41 68.670 4.892 -1.286 1.00 0.00 C ATOM 621 C PHE X 41 69.964 5.635 -1.586 1.00 0.00 C ATOM 622 O PHE X 41 70.797 5.818 -0.701 1.00 0.00 O ATOM 623 CB PHE X 41 68.577 3.575 -2.039 1.00 0.00 C ATOM 624 CG PHE X 41 69.773 2.697 -1.952 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.062 2.024 -0.788 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.616 2.552 -3.032 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.173 1.215 -0.700 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.727 1.746 -2.939 1.00 0.00 C ATOM 629 CZ PHE X 41 72.004 1.079 -1.778 1.00 0.00 C ATOM 0 H PHE X 41 66.955 5.244 -2.351 1.00 0.00 H new ATOM 0 HA PHE X 41 68.676 4.692 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.716 3.023 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.383 3.791 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.410 2.131 0.067 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.404 3.073 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.388 0.689 0.218 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.385 1.639 -3.789 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.877 0.446 -1.712 1.00 0.00 H new ATOM 639 N VAL X 42 70.121 6.083 -2.803 1.00 0.00 N ATOM 640 CA VAL X 42 71.321 6.789 -3.187 1.00 0.00 C ATOM 641 C VAL X 42 71.481 8.148 -2.510 1.00 0.00 C ATOM 642 O VAL X 42 72.578 8.542 -2.198 1.00 0.00 O ATOM 643 CB VAL X 42 71.540 6.827 -4.724 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.381 7.360 -5.482 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.835 7.492 -5.133 1.00 0.00 C ATOM 0 H VAL X 42 69.434 5.973 -3.549 1.00 0.00 H new ATOM 0 HA VAL X 42 72.143 6.191 -2.793 1.00 0.00 H new ATOM 0 HB VAL X 42 71.629 5.778 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.610 7.355 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.507 6.736 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.174 8.381 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.921 7.483 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL X 42 72.843 8.522 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.675 6.951 -4.698 1.00 0.00 H new ATOM 655 N LYS X 43 70.398 8.822 -2.241 1.00 0.00 N ATOM 656 CA LYS X 43 70.476 10.144 -1.574 1.00 0.00 C ATOM 657 C LYS X 43 70.961 10.023 -0.122 1.00 0.00 C ATOM 658 O LYS X 43 71.788 10.814 0.332 1.00 0.00 O ATOM 659 CB LYS X 43 69.131 10.931 -1.619 1.00 0.00 C ATOM 660 CG LYS X 43 68.034 10.429 -0.657 1.00 0.00 C ATOM 661 CD LYS X 43 66.723 11.194 -0.818 1.00 0.00 C ATOM 662 CE LYS X 43 66.825 12.638 -0.314 1.00 0.00 C ATOM 663 NZ LYS X 43 67.103 12.712 1.146 1.00 0.00 N ATOM 0 H LYS X 43 69.453 8.506 -2.459 1.00 0.00 H new ATOM 0 HA LYS X 43 71.209 10.713 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.335 11.978 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.742 10.893 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS X 43 67.857 9.368 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.384 10.526 0.371 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.434 11.198 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS X 43 65.934 10.676 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.616 13.155 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS X 43 65.894 13.162 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.946 13.684 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.467 12.064 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.090 12.439 1.326 1.00 0.00 H new ATOM 677 N ILE X 44 70.459 9.035 0.596 1.00 0.00 N ATOM 678 CA ILE X 44 70.814 8.889 1.992 1.00 0.00 C ATOM 679 C ILE X 44 72.196 8.291 2.133 1.00 0.00 C ATOM 680 O ILE X 44 72.950 8.663 3.013 1.00 0.00 O ATOM 681 CB ILE X 44 69.758 8.053 2.776 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.575 6.672 2.129 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.430 8.811 2.848 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.468 5.841 2.707 1.00 0.00 C ATOM 0 H ILE X 44 69.813 8.331 0.240 1.00 0.00 H new ATOM 0 HA ILE X 44 70.825 9.886 2.433 1.00 0.00 H new ATOM 0 HB ILE X 44 70.117 7.899 3.794 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.388 6.809 1.064 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.510 6.118 2.220 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.701 8.216 3.398 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.581 9.762 3.358 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.061 8.995 1.839 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.419 4.886 2.184 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.659 5.666 3.766 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.520 6.367 2.592 1.00 0.00 H new ATOM 696 N THR X 45 72.549 7.411 1.231 1.00 0.00 N ATOM 697 CA THR X 45 73.824 6.770 1.312 1.00 0.00 C ATOM 698 C THR X 45 74.909 7.615 0.683 1.00 0.00 C ATOM 699 O THR X 45 76.023 7.728 1.236 1.00 0.00 O ATOM 700 CB THR X 45 73.809 5.377 0.649 1.00 0.00 C ATOM 701 OG1 THR X 45 73.425 5.490 -0.728 1.00 0.00 O ATOM 702 CG2 THR X 45 72.836 4.462 1.357 1.00 0.00 C ATOM 0 H THR X 45 71.972 7.127 0.439 1.00 0.00 H new ATOM 0 HA THR X 45 74.041 6.647 2.373 1.00 0.00 H new ATOM 0 HB THR X 45 74.813 4.958 0.718 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.449 5.437 -0.801 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.839 3.484 0.875 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.132 4.353 2.400 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.834 4.888 1.307 1.00 0.00 H new ATOM 710 N GLU X 46 74.559 8.243 -0.422 1.00 0.00 N ATOM 711 CA GLU X 46 75.468 8.945 -1.274 1.00 0.00 C ATOM 712 C GLU X 46 76.533 8.022 -1.772 1.00 0.00 C ATOM 713 O GLU X 46 77.648 7.951 -1.248 1.00 0.00 O ATOM 714 CB GLU X 46 76.014 10.217 -0.685 1.00 0.00 C ATOM 715 CG GLU X 46 75.008 11.322 -0.606 1.00 0.00 C ATOM 716 CD GLU X 46 75.630 12.594 -0.126 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.343 13.262 -0.912 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.463 12.942 1.053 1.00 0.00 O ATOM 0 H GLU X 46 73.595 8.273 -0.754 1.00 0.00 H new ATOM 0 HA GLU X 46 74.891 9.290 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.393 10.010 0.316 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.861 10.551 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.563 11.481 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.201 11.033 0.067 1.00 0.00 H new ATOM 725 N HIS X 47 76.126 7.213 -2.687 1.00 0.00 N ATOM 726 CA HIS X 47 76.982 6.284 -3.303 1.00 0.00 C ATOM 727 C HIS X 47 76.903 6.558 -4.791 1.00 0.00 C ATOM 728 O HIS X 47 75.811 6.651 -5.322 1.00 0.00 O ATOM 729 CB HIS X 47 76.520 4.850 -2.988 1.00 0.00 C ATOM 730 CG HIS X 47 77.558 3.823 -3.286 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.604 3.063 -4.424 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.640 3.473 -2.569 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.706 2.310 -4.363 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.357 2.524 -3.254 1.00 0.00 N ATOM 0 H HIS X 47 75.166 7.185 -3.029 1.00 0.00 H new ATOM 0 HA HIS X 47 78.006 6.380 -2.942 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.246 4.786 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.622 4.629 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.904 3.876 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.016 1.616 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.224 2.077 -2.956 1.00 0.00 H new ATOM 742 N PRO X 48 78.036 6.648 -5.497 1.00 0.00 N ATOM 743 CA PRO X 48 78.066 7.024 -6.937 1.00 0.00 C ATOM 744 C PRO X 48 77.417 5.985 -7.799 1.00 0.00 C ATOM 745 O PRO X 48 76.971 6.242 -8.917 1.00 0.00 O ATOM 746 CB PRO X 48 79.549 7.000 -7.263 1.00 0.00 C ATOM 747 CG PRO X 48 80.252 7.085 -5.977 1.00 0.00 C ATOM 748 CD PRO X 48 79.391 6.368 -4.999 1.00 0.00 C ATOM 0 HA PRO X 48 77.552 7.969 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.816 6.086 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.819 7.834 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.239 6.627 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.401 8.123 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.603 5.299 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.535 6.739 -3.984 1.00 0.00 H new ATOM 756 N ASP X 49 77.305 4.840 -7.231 1.00 0.00 N ATOM 757 CA ASP X 49 76.918 3.688 -7.894 1.00 0.00 C ATOM 758 C ASP X 49 75.774 3.146 -7.090 1.00 0.00 C ATOM 759 O ASP X 49 75.629 1.945 -6.928 1.00 0.00 O ATOM 760 CB ASP X 49 78.075 2.669 -7.903 1.00 0.00 C ATOM 761 CG ASP X 49 79.349 3.189 -8.521 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.488 3.156 -9.769 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.243 3.615 -7.773 1.00 0.00 O ATOM 0 H ASP X 49 77.495 4.693 -6.240 1.00 0.00 H new ATOM 0 HA ASP X 49 76.644 3.883 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.281 2.360 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.757 1.779 -8.446 1.00 0.00 H new ATOM 768 N GLY X 50 75.005 4.083 -6.524 1.00 0.00 N ATOM 769 CA GLY X 50 73.869 3.787 -5.661 1.00 0.00 C ATOM 770 C GLY X 50 73.003 2.741 -6.201 1.00 0.00 C ATOM 771 O GLY X 50 72.839 1.690 -5.599 1.00 0.00 O ATOM 0 H GLY X 50 75.162 5.082 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.234 3.480 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.285 4.695 -5.513 1.00 0.00 H new ATOM 775 N THR X 51 72.544 2.935 -7.356 1.00 0.00 N ATOM 776 CA THR X 51 71.649 1.967 -7.867 1.00 0.00 C ATOM 777 C THR X 51 72.325 0.816 -8.516 1.00 0.00 C ATOM 778 O THR X 51 71.742 -0.231 -8.652 1.00 0.00 O ATOM 779 CB THR X 51 70.490 2.504 -8.654 1.00 0.00 C ATOM 780 OG1 THR X 51 70.906 3.616 -9.439 1.00 0.00 O ATOM 781 CG2 THR X 51 69.387 2.877 -7.696 1.00 0.00 C ATOM 0 H THR X 51 72.755 3.726 -7.964 1.00 0.00 H new ATOM 0 HA THR X 51 71.177 1.568 -6.969 1.00 0.00 H new ATOM 0 HB THR X 51 70.114 1.746 -9.341 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.144 3.959 -9.950 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.537 3.269 -8.255 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.077 1.994 -7.136 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.748 3.637 -7.004 1.00 0.00 H new ATOM 789 N ALA X 52 73.586 0.982 -8.851 1.00 0.00 N ATOM 790 CA ALA X 52 74.371 -0.123 -9.348 1.00 0.00 C ATOM 791 C ALA X 52 74.466 -1.161 -8.266 1.00 0.00 C ATOM 792 O ALA X 52 74.404 -2.343 -8.551 1.00 0.00 O ATOM 793 CB ALA X 52 75.738 0.324 -9.816 1.00 0.00 C ATOM 0 H ALA X 52 74.087 1.868 -8.788 1.00 0.00 H new ATOM 0 HA ALA X 52 73.881 -0.551 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.297 -0.537 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.627 1.053 -10.619 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.276 0.779 -8.985 1.00 0.00 H new ATOM 799 N LEU X 53 74.544 -0.706 -7.013 1.00 0.00 N ATOM 800 CA LEU X 53 74.516 -1.615 -5.882 1.00 0.00 C ATOM 801 C LEU X 53 73.192 -2.331 -5.799 1.00 0.00 C ATOM 802 O LEU X 53 73.158 -3.519 -5.558 1.00 0.00 O ATOM 803 CB LEU X 53 74.812 -0.936 -4.544 1.00 0.00 C ATOM 804 CG LEU X 53 76.200 -0.334 -4.362 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.397 0.081 -2.923 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.288 -1.301 -4.802 1.00 0.00 C ATOM 0 H LEU X 53 74.626 0.280 -6.765 1.00 0.00 H new ATOM 0 HA LEU X 53 75.317 -2.332 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU X 53 74.078 -0.144 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.654 -1.667 -3.751 1.00 0.00 H new ATOM 0 HG LEU X 53 76.276 0.549 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.391 0.510 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.646 0.823 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.296 -0.790 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.265 -0.839 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.227 -2.213 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU X 53 77.153 -1.545 -5.856 1.00 0.00 H new ATOM 818 N ILE X 54 72.103 -1.615 -6.048 1.00 0.00 N ATOM 819 CA ILE X 54 70.766 -2.231 -5.991 1.00 0.00 C ATOM 820 C ILE X 54 70.624 -3.247 -7.099 1.00 0.00 C ATOM 821 O ILE X 54 70.203 -4.390 -6.885 1.00 0.00 O ATOM 822 CB ILE X 54 69.596 -1.178 -6.069 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.492 -0.364 -4.768 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.252 -1.832 -6.411 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.311 -1.210 -3.546 1.00 0.00 C ATOM 0 H ILE X 54 72.108 -0.624 -6.288 1.00 0.00 H new ATOM 0 HA ILE X 54 70.682 -2.719 -5.020 1.00 0.00 H new ATOM 0 HB ILE X 54 69.840 -0.494 -6.882 1.00 0.00 H new ATOM 0 HG12 ILE X 54 70.393 0.238 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE X 54 68.654 0.328 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.476 -1.068 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.325 -2.330 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.998 -2.564 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.245 -0.569 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.395 -1.793 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE X 54 70.161 -1.884 -3.441 1.00 0.00 H new ATOM 837 N TYR X 55 71.031 -2.833 -8.253 1.00 0.00 N ATOM 838 CA TYR X 55 70.942 -3.612 -9.432 1.00 0.00 C ATOM 839 C TYR X 55 71.776 -4.884 -9.352 1.00 0.00 C ATOM 840 O TYR X 55 71.306 -5.964 -9.738 1.00 0.00 O ATOM 841 CB TYR X 55 71.283 -2.766 -10.643 1.00 0.00 C ATOM 842 CG TYR X 55 70.135 -1.884 -11.121 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.449 -1.067 -10.235 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.756 -1.859 -12.452 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.436 -0.254 -10.642 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.725 -1.043 -12.878 1.00 0.00 C ATOM 847 CZ TYR X 55 68.071 -0.242 -11.965 1.00 0.00 C ATOM 848 OH TYR X 55 67.065 0.592 -12.380 1.00 0.00 O ATOM 0 H TYR X 55 71.447 -1.913 -8.400 1.00 0.00 H new ATOM 0 HA TYR X 55 69.911 -3.949 -9.539 1.00 0.00 H new ATOM 0 HB2 TYR X 55 72.139 -2.135 -10.404 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.589 -3.422 -11.458 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.727 -1.076 -9.191 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.272 -2.484 -13.166 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.924 0.376 -9.930 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.434 -1.033 -13.918 1.00 0.00 H new ATOM 0 HH TYR X 55 66.927 0.483 -13.344 1.00 0.00 H new ATOM 858 N GLU X 56 72.998 -4.782 -8.839 1.00 0.00 N ATOM 859 CA GLU X 56 73.801 -5.971 -8.661 1.00 0.00 C ATOM 860 C GLU X 56 73.261 -6.819 -7.533 1.00 0.00 C ATOM 861 O GLU X 56 73.257 -8.024 -7.636 1.00 0.00 O ATOM 862 CB GLU X 56 75.306 -5.705 -8.477 1.00 0.00 C ATOM 863 CG GLU X 56 75.662 -4.754 -7.357 1.00 0.00 C ATOM 864 CD GLU X 56 77.126 -4.760 -7.037 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.895 -4.051 -7.716 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.551 -5.486 -6.098 1.00 0.00 O ATOM 0 H GLU X 56 73.439 -3.909 -8.548 1.00 0.00 H new ATOM 0 HA GLU X 56 73.719 -6.519 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.807 -6.656 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.704 -5.307 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.359 -3.744 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.098 -5.023 -6.464 1.00 0.00 H new ATOM 873 N ALA X 57 72.774 -6.178 -6.469 1.00 0.00 N ATOM 874 CA ALA X 57 72.219 -6.884 -5.320 1.00 0.00 C ATOM 875 C ALA X 57 71.062 -7.765 -5.723 1.00 0.00 C ATOM 876 O ALA X 57 70.933 -8.867 -5.222 1.00 0.00 O ATOM 877 CB ALA X 57 71.792 -5.928 -4.228 1.00 0.00 C ATOM 0 H ALA X 57 72.754 -5.162 -6.382 1.00 0.00 H new ATOM 0 HA ALA X 57 73.013 -7.517 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.384 -6.492 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.654 -5.351 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.030 -5.251 -4.615 1.00 0.00 H new ATOM 883 N ALA X 58 70.232 -7.274 -6.635 1.00 0.00 N ATOM 884 CA ALA X 58 69.109 -8.041 -7.160 1.00 0.00 C ATOM 885 C ALA X 58 69.598 -9.354 -7.775 1.00 0.00 C ATOM 886 O ALA X 58 69.058 -10.430 -7.487 1.00 0.00 O ATOM 887 CB ALA X 58 68.344 -7.223 -8.189 1.00 0.00 C ATOM 0 H ALA X 58 70.317 -6.337 -7.030 1.00 0.00 H new ATOM 0 HA ALA X 58 68.436 -8.277 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.509 -7.809 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.965 -6.314 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA X 58 69.009 -6.959 -9.011 1.00 0.00 H new ATOM 893 N ALA X 59 70.649 -9.261 -8.579 1.00 0.00 N ATOM 894 CA ALA X 59 71.245 -10.429 -9.220 1.00 0.00 C ATOM 895 C ALA X 59 71.978 -11.288 -8.187 1.00 0.00 C ATOM 896 O ALA X 59 71.830 -12.510 -8.159 1.00 0.00 O ATOM 897 CB ALA X 59 72.192 -9.998 -10.328 1.00 0.00 C ATOM 0 H ALA X 59 71.111 -8.380 -8.805 1.00 0.00 H new ATOM 0 HA ALA X 59 70.449 -11.029 -9.662 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.629 -10.880 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.642 -9.425 -11.074 1.00 0.00 H new ATOM 0 HB3 ALA X 59 72.985 -9.380 -9.908 1.00 0.00 H new ATOM 903 N ARG X 60 72.724 -10.624 -7.307 1.00 0.00 N ATOM 904 CA ARG X 60 73.486 -11.278 -6.245 1.00 0.00 C ATOM 905 C ARG X 60 72.572 -12.041 -5.307 1.00 0.00 C ATOM 906 O ARG X 60 72.945 -13.061 -4.797 1.00 0.00 O ATOM 907 CB ARG X 60 74.336 -10.255 -5.450 1.00 0.00 C ATOM 908 CG ARG X 60 75.485 -9.639 -6.242 1.00 0.00 C ATOM 909 CD ARG X 60 76.177 -8.497 -5.485 1.00 0.00 C ATOM 910 NE ARG X 60 76.771 -8.927 -4.208 1.00 0.00 N ATOM 911 CZ ARG X 60 77.502 -8.142 -3.385 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.805 -6.870 -3.724 1.00 0.00 N ATOM 913 NH2 ARG X 60 77.959 -8.649 -2.241 1.00 0.00 N ATOM 0 H ARG X 60 72.818 -9.608 -7.311 1.00 0.00 H new ATOM 0 HA ARG X 60 74.162 -11.988 -6.721 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.684 -9.456 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.743 -10.747 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.217 -10.412 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.106 -9.263 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.957 -8.071 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.453 -7.705 -5.294 1.00 0.00 H new ATOM 0 HE ARG X 60 76.619 -9.894 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.481 -6.488 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.358 -6.291 -3.091 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.756 -9.618 -1.996 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.512 -8.068 -1.611 1.00 0.00 H new ATOM 927 N ALA X 61 71.387 -11.534 -5.084 1.00 0.00 N ATOM 928 CA ALA X 61 70.408 -12.196 -4.238 1.00 0.00 C ATOM 929 C ALA X 61 69.697 -13.314 -4.980 1.00 0.00 C ATOM 930 O ALA X 61 69.404 -14.361 -4.403 1.00 0.00 O ATOM 931 CB ALA X 61 69.430 -11.188 -3.683 1.00 0.00 C ATOM 0 H ALA X 61 71.066 -10.651 -5.481 1.00 0.00 H new ATOM 0 HA ALA X 61 70.934 -12.656 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.702 -11.697 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.968 -10.446 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.913 -10.692 -4.505 1.00 0.00 H new ATOM 937 N ALA X 62 69.441 -13.103 -6.263 1.00 0.00 N ATOM 938 CA ALA X 62 68.793 -14.111 -7.096 1.00 0.00 C ATOM 939 C ALA X 62 69.679 -15.343 -7.205 1.00 0.00 C ATOM 940 O ALA X 62 69.195 -16.482 -7.250 1.00 0.00 O ATOM 941 CB ALA X 62 68.507 -13.551 -8.475 1.00 0.00 C ATOM 0 H ALA X 62 69.673 -12.239 -6.753 1.00 0.00 H new ATOM 0 HA ALA X 62 67.848 -14.394 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.024 -14.314 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA X 62 67.849 -12.686 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.442 -13.249 -8.946 1.00 0.00 H new ATOM 947 N ALA X 63 70.967 -15.106 -7.265 1.00 0.00 N ATOM 948 CA ALA X 63 71.944 -16.164 -7.307 1.00 0.00 C ATOM 949 C ALA X 63 72.245 -16.658 -5.904 1.00 0.00 C ATOM 950 O ALA X 63 72.165 -17.853 -5.624 1.00 0.00 O ATOM 951 CB ALA X 63 73.222 -15.656 -7.957 1.00 0.00 C ATOM 0 H ALA X 63 71.368 -14.168 -7.286 1.00 0.00 H new ATOM 0 HA ALA X 63 71.543 -16.991 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.959 -16.459 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.006 -15.323 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.618 -14.822 -7.378 1.00 0.00 H new ATOM 957 N ASN X 64 72.539 -15.705 -5.035 1.00 0.00 N ATOM 958 CA ASN X 64 72.991 -15.920 -3.670 1.00 0.00 C ATOM 959 C ASN X 64 74.302 -16.698 -3.683 1.00 0.00 C ATOM 960 O ASN X 64 74.313 -17.924 -3.662 1.00 0.00 O ATOM 961 CB ASN X 64 71.936 -16.572 -2.765 1.00 0.00 C ATOM 962 CG ASN X 64 72.415 -16.673 -1.325 1.00 0.00 C ATOM 963 OD1 ASN X 64 73.056 -17.645 -0.928 1.00 0.00 O ATOM 964 ND2 ASN X 64 72.095 -15.685 -0.532 1.00 0.00 N ATOM 0 H ASN X 64 72.466 -14.716 -5.273 1.00 0.00 H new ATOM 0 HA ASN X 64 73.163 -14.940 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN X 64 71.015 -15.990 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.700 -17.568 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN X 64 72.378 -15.705 0.448 1.00 0.00 H new ATOM 0 HD22 ASN X 64 71.563 -14.893 -0.893 1.00 0.00 H new ATOM 971 N PRO X 65 75.431 -15.977 -3.779 1.00 0.00 N ATOM 972 CA PRO X 65 76.752 -16.586 -3.935 1.00 0.00 C ATOM 973 C PRO X 65 77.169 -17.426 -2.733 1.00 0.00 C ATOM 974 O PRO X 65 77.279 -18.645 -2.833 1.00 0.00 O ATOM 975 CB PRO X 65 77.693 -15.385 -4.122 1.00 0.00 C ATOM 976 CG PRO X 65 76.796 -14.245 -4.458 1.00 0.00 C ATOM 977 CD PRO X 65 75.516 -14.511 -3.749 1.00 0.00 C ATOM 0 HA PRO X 65 76.771 -17.285 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO X 65 78.263 -15.185 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO X 65 78.414 -15.568 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO X 65 77.231 -13.298 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO X 65 76.639 -14.175 -5.534 1.00 0.00 H new ATOM 0 HD2 PRO X 65 75.530 -14.127 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO X 65 74.669 -14.046 -4.253 1.00 0.00 H new ATOM 985 N GLY X 66 77.361 -16.790 -1.598 1.00 0.00 N ATOM 986 CA GLY X 66 77.790 -17.514 -0.432 1.00 0.00 C ATOM 987 C GLY X 66 76.994 -17.165 0.760 1.00 0.00 C ATOM 988 O GLY X 66 77.551 -16.893 1.830 1.00 0.00 O ATOM 0 H GLY X 66 77.228 -15.788 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY X 66 77.710 -18.585 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.842 -17.302 -0.240 1.00 0.00 H new ATOM 992 N GLY X 67 75.694 -17.148 0.592 1.00 0.00 N ATOM 993 CA GLY X 67 74.823 -16.845 1.683 1.00 0.00 C ATOM 994 C GLY X 67 74.774 -15.368 1.981 1.00 0.00 C ATOM 995 O GLY X 67 73.884 -14.655 1.508 1.00 0.00 O ATOM 0 H GLY X 67 75.224 -17.341 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY X 67 73.819 -17.201 1.453 1.00 0.00 H new ATOM 0 HA3 GLY X 67 75.156 -17.382 2.571 1.00 0.00 H new ATOM 999 N ASP X 68 75.745 -14.910 2.731 1.00 0.00 N ATOM 1000 CA ASP X 68 75.838 -13.526 3.137 1.00 0.00 C ATOM 1001 C ASP X 68 76.341 -12.678 1.978 1.00 0.00 C ATOM 1002 O ASP X 68 77.422 -12.934 1.418 1.00 0.00 O ATOM 1003 CB ASP X 68 76.744 -13.395 4.366 1.00 0.00 C ATOM 1004 CG ASP X 68 76.847 -11.987 4.889 1.00 0.00 C ATOM 1005 OD1 ASP X 68 75.806 -11.395 5.268 1.00 0.00 O ATOM 1006 OD2 ASP X 68 77.967 -11.445 4.944 1.00 0.00 O ATOM 0 H ASP X 68 76.504 -15.494 3.082 1.00 0.00 H new ATOM 0 HA ASP X 68 74.849 -13.163 3.415 1.00 0.00 H new ATOM 0 HB2 ASP X 68 76.365 -14.041 5.158 1.00 0.00 H new ATOM 0 HB3 ASP X 68 77.741 -13.754 4.112 1.00 0.00 H new ATOM 1011 N GLY X 69 75.538 -11.714 1.593 1.00 0.00 N ATOM 1012 CA GLY X 69 75.839 -10.875 0.453 1.00 0.00 C ATOM 1013 C GLY X 69 75.051 -11.313 -0.747 1.00 0.00 C ATOM 1014 O GLY X 69 75.431 -11.056 -1.898 1.00 0.00 O ATOM 0 H GLY X 69 74.659 -11.488 2.059 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.607 -9.836 0.688 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.905 -10.922 0.232 1.00 0.00 H new ATOM 1018 N GLY X 70 73.960 -11.973 -0.470 1.00 0.00 N ATOM 1019 CA GLY X 70 73.079 -12.446 -1.481 1.00 0.00 C ATOM 1020 C GLY X 70 71.671 -12.164 -1.079 1.00 0.00 C ATOM 1021 O GLY X 70 70.827 -13.061 -1.052 1.00 0.00 O ATOM 0 H GLY X 70 73.661 -12.196 0.479 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.302 -11.960 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.219 -13.517 -1.630 1.00 0.00 H new ATOM 1025 N GLY X 71 71.423 -10.924 -0.751 1.00 0.00 N ATOM 1026 CA GLY X 71 70.169 -10.496 -0.316 1.00 0.00 C ATOM 1027 C GLY X 71 70.242 -9.051 0.047 1.00 0.00 C ATOM 1028 O GLY X 71 71.343 -8.460 0.021 1.00 0.00 O ATOM 0 H GLY X 71 72.123 -10.183 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.427 -10.649 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.849 -11.084 0.545 1.00 0.00 H new ATOM 1032 N PRO X 72 69.108 -8.452 0.363 1.00 0.00 N ATOM 1033 CA PRO X 72 68.998 -7.057 0.771 1.00 0.00 C ATOM 1034 C PRO X 72 69.911 -6.729 1.935 1.00 0.00 C ATOM 1035 O PRO X 72 70.493 -5.657 1.984 1.00 0.00 O ATOM 1036 CB PRO X 72 67.532 -6.902 1.175 1.00 0.00 C ATOM 1037 CG PRO X 72 67.001 -8.281 1.249 1.00 0.00 C ATOM 1038 CD PRO X 72 67.814 -9.095 0.304 1.00 0.00 C ATOM 0 HA PRO X 72 69.296 -6.378 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.440 -6.393 2.134 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.983 -6.308 0.445 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.077 -8.673 2.263 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.946 -8.306 0.975 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.866 -10.140 0.611 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.400 -9.079 -0.704 1.00 0.00 H new ATOM 1046 N GLU X 73 70.105 -7.674 2.835 1.00 0.00 N ATOM 1047 CA GLU X 73 70.979 -7.449 3.963 1.00 0.00 C ATOM 1048 C GLU X 73 72.460 -7.360 3.568 1.00 0.00 C ATOM 1049 O GLU X 73 73.324 -7.187 4.428 1.00 0.00 O ATOM 1050 CB GLU X 73 70.782 -8.451 5.084 1.00 0.00 C ATOM 1051 CG GLU X 73 69.375 -8.528 5.632 1.00 0.00 C ATOM 1052 CD GLU X 73 69.331 -9.328 6.906 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.575 -10.545 6.865 1.00 0.00 O ATOM 1054 OE2 GLU X 73 69.065 -8.754 7.978 1.00 0.00 O ATOM 0 H GLU X 73 69.672 -8.597 2.805 1.00 0.00 H new ATOM 0 HA GLU X 73 70.683 -6.473 4.348 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.070 -9.438 4.723 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.460 -8.199 5.899 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.999 -7.522 5.818 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.717 -8.983 4.891 1.00 0.00 H new ATOM 1061 N GLY X 74 72.762 -7.479 2.304 1.00 0.00 N ATOM 1062 CA GLY X 74 74.113 -7.292 1.901 1.00 0.00 C ATOM 1063 C GLY X 74 74.343 -5.992 1.180 1.00 0.00 C ATOM 1064 O GLY X 74 75.482 -5.589 0.994 1.00 0.00 O ATOM 0 H GLY X 74 72.103 -7.699 1.557 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.756 -7.331 2.780 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.409 -8.117 1.253 1.00 0.00 H new ATOM 1068 N ILE X 75 73.273 -5.301 0.815 1.00 0.00 N ATOM 1069 CA ILE X 75 73.421 -4.013 0.124 1.00 0.00 C ATOM 1070 C ILE X 75 73.863 -3.011 1.159 1.00 0.00 C ATOM 1071 O ILE X 75 74.778 -2.232 0.963 1.00 0.00 O ATOM 1072 CB ILE X 75 72.097 -3.498 -0.475 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.174 -4.669 -0.837 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.399 -2.636 -1.695 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.898 -4.281 -1.560 1.00 0.00 C ATOM 0 H ILE X 75 72.310 -5.595 0.978 1.00 0.00 H new ATOM 0 HA ILE X 75 74.130 -4.143 -0.694 1.00 0.00 H new ATOM 0 HB ILE X 75 71.577 -2.890 0.265 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.729 -5.369 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.908 -5.199 0.078 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.465 -2.270 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.019 -1.790 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.929 -3.231 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.313 -5.176 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.315 -3.607 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.148 -3.780 -2.496 1.00 0.00 H new ATOM 1087 N VAL X 76 73.190 -3.094 2.276 1.00 0.00 N ATOM 1088 CA VAL X 76 73.467 -2.314 3.484 1.00 0.00 C ATOM 1089 C VAL X 76 74.890 -2.494 3.935 1.00 0.00 C ATOM 1090 O VAL X 76 75.579 -1.544 4.294 1.00 0.00 O ATOM 1091 CB VAL X 76 72.488 -2.754 4.590 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.213 -4.217 4.589 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.770 -2.208 5.973 1.00 0.00 C ATOM 0 H VAL X 76 72.399 -3.728 2.388 1.00 0.00 H new ATOM 0 HA VAL X 76 73.329 -1.255 3.266 1.00 0.00 H new ATOM 0 HB VAL X 76 71.558 -2.263 4.304 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.517 -4.457 5.393 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.776 -4.504 3.633 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.144 -4.762 4.741 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.021 -2.581 6.671 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.760 -2.530 6.296 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.733 -1.119 5.949 1.00 0.00 H new ATOM 1103 N LYS X 77 75.297 -3.700 3.885 1.00 0.00 N ATOM 1104 CA LYS X 77 76.638 -4.106 4.224 1.00 0.00 C ATOM 1105 C LYS X 77 77.645 -3.408 3.297 1.00 0.00 C ATOM 1106 O LYS X 77 78.619 -2.829 3.751 1.00 0.00 O ATOM 1107 CB LYS X 77 76.739 -5.603 4.063 1.00 0.00 C ATOM 1108 CG LYS X 77 78.076 -6.212 4.412 1.00 0.00 C ATOM 1109 CD LYS X 77 78.146 -7.629 3.880 1.00 0.00 C ATOM 1110 CE LYS X 77 77.073 -8.539 4.466 1.00 0.00 C ATOM 1111 NZ LYS X 77 77.252 -8.786 5.911 1.00 0.00 N ATOM 0 H LYS X 77 74.699 -4.475 3.599 1.00 0.00 H new ATOM 0 HA LYS X 77 76.864 -3.827 5.253 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.975 -6.069 4.685 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.505 -5.855 3.029 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.881 -5.613 3.987 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.216 -6.212 5.493 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.045 -7.609 2.795 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.129 -8.046 4.101 1.00 0.00 H new ATOM 0 HE2 LYS X 77 76.093 -8.091 4.298 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.083 -9.492 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.524 -9.778 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 77.998 -8.162 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 76.360 -8.592 6.409 1.00 0.00 H new ATOM 1125 N GLU X 78 77.367 -3.439 2.005 1.00 0.00 N ATOM 1126 CA GLU X 78 78.214 -2.798 1.009 1.00 0.00 C ATOM 1127 C GLU X 78 78.246 -1.275 1.294 1.00 0.00 C ATOM 1128 O GLU X 78 79.287 -0.603 1.183 1.00 0.00 O ATOM 1129 CB GLU X 78 77.626 -3.059 -0.385 1.00 0.00 C ATOM 1130 CG GLU X 78 78.590 -2.840 -1.527 1.00 0.00 C ATOM 1131 CD GLU X 78 79.666 -3.891 -1.565 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.450 -4.964 -2.203 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.750 -3.689 -0.978 1.00 0.00 O ATOM 0 H GLU X 78 76.549 -3.908 1.615 1.00 0.00 H new ATOM 0 HA GLU X 78 79.227 -3.198 1.052 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.264 -4.086 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.762 -2.410 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.043 -2.847 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.048 -1.855 -1.431 1.00 0.00 H new ATOM 1140 N ILE X 79 77.097 -0.758 1.702 1.00 0.00 N ATOM 1141 CA ILE X 79 76.941 0.636 2.035 1.00 0.00 C ATOM 1142 C ILE X 79 77.762 1.029 3.264 1.00 0.00 C ATOM 1143 O ILE X 79 78.466 2.066 3.233 1.00 0.00 O ATOM 1144 CB ILE X 79 75.441 1.039 2.235 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.647 0.897 0.924 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.317 2.450 2.786 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.088 1.834 -0.183 1.00 0.00 C ATOM 0 H ILE X 79 76.243 -1.305 1.810 1.00 0.00 H new ATOM 0 HA ILE X 79 77.324 1.190 1.178 1.00 0.00 H new ATOM 0 HB ILE X 79 75.014 0.353 2.966 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.735 -0.130 0.570 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.592 1.073 1.132 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.264 2.700 2.913 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.823 2.510 3.749 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.775 3.154 2.091 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.475 1.665 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.973 2.867 0.147 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.134 1.645 -0.424 1.00 0.00 H new ATOM 1159 N LYS X 80 77.707 0.220 4.309 1.00 0.00 N ATOM 1160 CA LYS X 80 78.390 0.545 5.552 1.00 0.00 C ATOM 1161 C LYS X 80 79.897 0.609 5.342 1.00 0.00 C ATOM 1162 O LYS X 80 80.560 1.505 5.859 1.00 0.00 O ATOM 1163 CB LYS X 80 78.022 -0.429 6.717 1.00 0.00 C ATOM 1164 CG LYS X 80 78.563 -1.844 6.601 1.00 0.00 C ATOM 1165 CD LYS X 80 78.228 -2.695 7.827 1.00 0.00 C ATOM 1166 CE LYS X 80 76.726 -2.875 8.056 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.456 -3.677 9.279 1.00 0.00 N ATOM 0 H LYS X 80 77.198 -0.664 4.323 1.00 0.00 H new ATOM 0 HA LYS X 80 78.041 1.532 5.854 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.384 0.001 7.651 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.936 -0.482 6.790 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.150 -2.317 5.710 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.645 -1.808 6.471 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.690 -3.676 7.715 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.669 -2.234 8.711 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.251 -1.898 8.147 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.281 -3.367 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 75.431 -3.710 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.816 -4.644 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.932 -3.239 10.093 1.00 0.00 H new ATOM 1181 N GLU X 81 80.411 -0.283 4.509 1.00 0.00 N ATOM 1182 CA GLU X 81 81.838 -0.371 4.291 1.00 0.00 C ATOM 1183 C GLU X 81 82.384 0.806 3.496 1.00 0.00 C ATOM 1184 O GLU X 81 83.418 1.368 3.851 1.00 0.00 O ATOM 1185 CB GLU X 81 82.214 -1.669 3.620 1.00 0.00 C ATOM 1186 CG GLU X 81 81.774 -2.900 4.365 1.00 0.00 C ATOM 1187 CD GLU X 81 82.419 -4.136 3.824 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.126 -4.535 2.688 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.282 -4.713 4.516 1.00 0.00 O ATOM 0 H GLU X 81 79.858 -0.954 3.975 1.00 0.00 H new ATOM 0 HA GLU X 81 82.296 -0.340 5.279 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.778 -1.688 2.621 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.297 -1.701 3.496 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.021 -2.793 5.421 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.690 -2.997 4.299 1.00 0.00 H new ATOM 1196 N TRP X 82 81.686 1.193 2.438 1.00 0.00 N ATOM 1197 CA TRP X 82 82.120 2.313 1.603 1.00 0.00 C ATOM 1198 C TRP X 82 82.120 3.587 2.449 1.00 0.00 C ATOM 1199 O TRP X 82 83.037 4.402 2.384 1.00 0.00 O ATOM 1200 CB TRP X 82 81.156 2.463 0.437 1.00 0.00 C ATOM 1201 CG TRP X 82 81.607 3.375 -0.676 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.259 3.012 -1.822 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.406 4.791 -0.769 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.461 4.115 -2.619 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.946 5.216 -1.996 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.818 5.731 0.065 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.908 6.544 -2.403 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.782 7.039 -0.329 1.00 0.00 C ATOM 1209 CH2 TRP X 82 81.318 7.443 -1.556 1.00 0.00 C ATOM 0 H TRP X 82 80.818 0.752 2.135 1.00 0.00 H new ATOM 0 HA TRP X 82 83.124 2.134 1.218 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.967 1.475 0.017 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.206 2.833 0.822 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.570 2.007 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.921 4.111 -3.529 1.00 0.00 H new ATOM 0 HE3 TRP X 82 80.394 5.433 1.013 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.327 6.854 -3.349 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 80.331 7.775 0.320 1.00 0.00 H new ATOM 0 HH2 TRP X 82 81.265 8.484 -1.840 1.00 0.00 H new ATOM 1220 N ARG X 83 81.089 3.716 3.270 1.00 0.00 N ATOM 1221 CA ARG X 83 80.936 4.842 4.175 1.00 0.00 C ATOM 1222 C ARG X 83 82.086 4.885 5.172 1.00 0.00 C ATOM 1223 O ARG X 83 82.677 5.945 5.391 1.00 0.00 O ATOM 1224 CB ARG X 83 79.602 4.739 4.913 1.00 0.00 C ATOM 1225 CG ARG X 83 78.610 5.863 4.623 1.00 0.00 C ATOM 1226 CD ARG X 83 78.293 6.013 3.130 1.00 0.00 C ATOM 1227 NE ARG X 83 78.064 4.725 2.457 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.873 4.575 1.143 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.528 5.607 0.390 1.00 0.00 N ATOM 1230 NH2 ARG X 83 77.996 3.377 0.603 1.00 0.00 N ATOM 0 H ARG X 83 80.330 3.037 3.326 1.00 0.00 H new ATOM 0 HA ARG X 83 80.950 5.763 3.593 1.00 0.00 H new ATOM 0 HB2 ARG X 83 79.135 3.788 4.655 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.799 4.717 5.985 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.685 5.673 5.168 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.014 6.803 4.999 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.409 6.639 3.013 1.00 0.00 H new ATOM 0 HD3 ARG X 83 79.117 6.531 2.640 1.00 0.00 H new ATOM 0 HE ARG X 83 78.050 3.885 3.036 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.405 6.528 0.812 1.00 0.00 H new ATOM 0 HH12 ARG X 83 77.385 5.482 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG X 83 78.235 2.576 1.188 1.00 0.00 H new ATOM 0 HH22 ARG X 83 77.852 3.252 -0.399 1.00 0.00 H new ATOM 1244 N ALA X 84 82.415 3.729 5.735 1.00 0.00 N ATOM 1245 CA ALA X 84 83.488 3.607 6.709 1.00 0.00 C ATOM 1246 C ALA X 84 84.843 3.923 6.084 1.00 0.00 C ATOM 1247 O ALA X 84 85.695 4.571 6.706 1.00 0.00 O ATOM 1248 CB ALA X 84 83.488 2.214 7.318 1.00 0.00 C ATOM 0 H ALA X 84 81.943 2.849 5.527 1.00 0.00 H new ATOM 0 HA ALA X 84 83.313 4.336 7.500 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.296 2.135 8.046 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.534 2.034 7.814 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.634 1.473 6.532 1.00 0.00 H new ATOM 1254 N ALA X 85 85.038 3.473 4.860 1.00 0.00 N ATOM 1255 CA ALA X 85 86.263 3.733 4.125 1.00 0.00 C ATOM 1256 C ALA X 85 86.404 5.218 3.810 1.00 0.00 C ATOM 1257 O ALA X 85 87.473 5.809 3.995 1.00 0.00 O ATOM 1258 CB ALA X 85 86.289 2.919 2.847 1.00 0.00 C ATOM 0 H ALA X 85 84.354 2.918 4.347 1.00 0.00 H new ATOM 0 HA ALA X 85 87.106 3.437 4.749 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.212 3.123 2.305 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.238 1.858 3.090 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.436 3.190 2.225 1.00 0.00 H new ATOM 1264 N ASN X 86 85.316 5.819 3.359 1.00 0.00 N ATOM 1265 CA ASN X 86 85.303 7.233 3.000 1.00 0.00 C ATOM 1266 C ASN X 86 85.484 8.108 4.241 1.00 0.00 C ATOM 1267 O ASN X 86 86.316 9.015 4.257 1.00 0.00 O ATOM 1268 CB ASN X 86 83.983 7.611 2.310 1.00 0.00 C ATOM 1269 CG ASN X 86 83.985 9.039 1.763 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.732 9.993 2.486 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.169 9.184 0.480 1.00 0.00 N ATOM 0 H ASN X 86 84.421 5.347 3.231 1.00 0.00 H new ATOM 0 HA ASN X 86 86.131 7.404 2.312 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.794 6.915 1.493 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.163 7.500 3.020 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.103 10.110 0.057 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.379 8.372 -0.100 1.00 0.00 H new ATOM 1278 N GLY X 87 84.746 7.805 5.281 1.00 0.00 N ATOM 1279 CA GLY X 87 84.778 8.625 6.473 1.00 0.00 C ATOM 1280 C GLY X 87 83.461 9.333 6.665 1.00 0.00 C ATOM 1281 O GLY X 87 83.381 10.380 7.318 1.00 0.00 O ATOM 0 H GLY X 87 84.119 7.002 5.329 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.993 8.004 7.343 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.583 9.356 6.396 1.00 0.00 H new ATOM 1285 N LYS X 88 82.433 8.767 6.073 1.00 0.00 N ATOM 1286 CA LYS X 88 81.117 9.248 6.139 1.00 0.00 C ATOM 1287 C LYS X 88 80.353 8.397 7.137 1.00 0.00 C ATOM 1288 O LYS X 88 80.625 7.188 7.254 1.00 0.00 O ATOM 1289 CB LYS X 88 80.488 9.083 4.767 1.00 0.00 C ATOM 1290 CG LYS X 88 80.908 10.094 3.712 1.00 0.00 C ATOM 1291 CD LYS X 88 80.374 9.691 2.337 1.00 0.00 C ATOM 1292 CE LYS X 88 80.807 10.657 1.225 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.156 11.987 1.324 1.00 0.00 N ATOM 0 H LYS X 88 82.522 7.920 5.512 1.00 0.00 H new ATOM 0 HA LYS X 88 81.096 10.295 6.442 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.725 8.085 4.399 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.405 9.133 4.878 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.533 11.082 3.978 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.995 10.163 3.680 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.723 8.687 2.096 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.285 9.650 2.373 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.889 10.785 1.264 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.573 10.215 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.487 12.594 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.124 11.874 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.400 12.426 2.235 1.00 0.00 H new ATOM 1307 N PRO X 89 79.430 8.989 7.888 1.00 0.00 N ATOM 1308 CA PRO X 89 78.600 8.238 8.806 1.00 0.00 C ATOM 1309 C PRO X 89 77.706 7.256 8.071 1.00 0.00 C ATOM 1310 O PRO X 89 77.093 7.591 7.040 1.00 0.00 O ATOM 1311 CB PRO X 89 77.768 9.295 9.534 1.00 0.00 C ATOM 1312 CG PRO X 89 77.855 10.522 8.693 1.00 0.00 C ATOM 1313 CD PRO X 89 79.154 10.435 7.945 1.00 0.00 C ATOM 0 HA PRO X 89 79.197 7.637 9.492 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.734 8.970 9.648 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.156 9.478 10.536 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.013 10.580 8.003 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.823 11.419 9.311 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.071 10.866 6.947 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.949 10.974 8.460 1.00 0.00 H new ATOM 1321 N GLY X 90 77.686 6.051 8.559 1.00 0.00 N ATOM 1322 CA GLY X 90 76.867 5.035 7.999 1.00 0.00 C ATOM 1323 C GLY X 90 75.533 4.983 8.680 1.00 0.00 C ATOM 1324 O GLY X 90 74.798 5.964 8.689 1.00 0.00 O ATOM 0 H GLY X 90 78.242 5.751 9.360 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.728 5.221 6.934 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.365 4.070 8.092 1.00 0.00 H new ATOM 1328 N PHE X 91 75.248 3.880 9.295 1.00 0.00 N ATOM 1329 CA PHE X 91 73.970 3.676 9.921 1.00 0.00 C ATOM 1330 C PHE X 91 74.080 3.920 11.387 1.00 0.00 C ATOM 1331 O PHE X 91 75.199 4.021 11.932 1.00 0.00 O ATOM 1332 CB PHE X 91 73.496 2.242 9.691 1.00 0.00 C ATOM 1333 CG PHE X 91 73.502 1.861 8.261 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.595 2.410 7.391 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.445 0.981 7.777 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.623 2.085 6.066 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.477 0.658 6.450 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.564 1.210 5.593 1.00 0.00 C ATOM 0 H PHE X 91 75.890 3.092 9.380 1.00 0.00 H new ATOM 0 HA PHE X 91 73.253 4.371 9.484 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.137 1.558 10.248 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.487 2.129 10.089 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.853 3.104 7.757 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.165 0.543 8.452 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.902 2.519 5.389 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.221 -0.031 6.078 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.586 0.955 4.544 1.00 0.00 H new ATOM 1348 N LYS X 92 72.960 4.043 12.025 1.00 0.00 N ATOM 1349 CA LYS X 92 72.910 4.134 13.408 1.00 0.00 C ATOM 1350 C LYS X 92 72.672 2.731 13.919 1.00 0.00 C ATOM 1351 O LYS X 92 72.458 1.794 13.128 1.00 0.00 O ATOM 1352 CB LYS X 92 71.777 5.049 13.837 1.00 0.00 C ATOM 1353 CG LYS X 92 70.380 4.513 13.609 1.00 0.00 C ATOM 1354 CD LYS X 92 69.297 5.424 14.181 1.00 0.00 C ATOM 1355 CE LYS X 92 69.396 5.563 15.695 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.300 6.386 16.245 1.00 0.00 N ATOM 0 H LYS X 92 72.048 4.082 11.569 1.00 0.00 H new ATOM 0 HA LYS X 92 73.834 4.550 13.809 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.894 5.269 14.898 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.876 5.994 13.303 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.214 4.386 12.539 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.296 3.526 14.064 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.375 6.410 13.722 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.316 5.027 13.918 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.372 4.574 16.153 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.354 6.012 15.957 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.403 6.456 17.277 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.337 7.338 15.828 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.386 5.944 16.018 1.00 0.00 H new ATOM 1370 N GLN X 93 72.700 2.566 15.180 1.00 0.00 N ATOM 1371 CA GLN X 93 72.523 1.309 15.766 1.00 0.00 C ATOM 1372 C GLN X 93 71.341 1.317 16.688 1.00 0.00 C ATOM 1373 O GLN X 93 71.145 2.251 17.468 1.00 0.00 O ATOM 1374 CB GLN X 93 73.762 0.989 16.505 1.00 0.00 C ATOM 1375 CG GLN X 93 74.946 0.658 15.612 1.00 0.00 C ATOM 1376 CD GLN X 93 74.725 -0.601 14.780 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.067 -1.697 15.201 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.135 -0.471 13.622 1.00 0.00 N ATOM 0 H GLN X 93 72.851 3.322 15.848 1.00 0.00 H new ATOM 0 HA GLN X 93 72.329 0.555 15.003 1.00 0.00 H new ATOM 0 HB2 GLN X 93 74.024 1.836 17.139 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.571 0.143 17.166 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.139 1.499 14.946 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.835 0.529 16.229 1.00 0.00 H new ATOM 0 HE21 GLN X 93 73.859 0.454 13.291 1.00 0.00 H new ATOM 0 HE22 GLN X 93 73.951 -1.294 13.048 1.00 0.00 H new ATOM 1387 N GLY X 94 70.574 0.298 16.591 1.00 0.00 N ATOM 1388 CA GLY X 94 69.416 0.145 17.393 1.00 0.00 C ATOM 1389 C GLY X 94 68.996 -1.284 17.356 1.00 0.00 C ATOM 1390 O GLY X 94 68.366 -1.773 18.310 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.370 -1.977 16.378 1.00 0.00 O ATOM 0 H GLY X 94 70.734 -0.470 15.939 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.623 0.452 18.418 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.614 0.784 17.025 1.00 0.00 H new TER 1395 GLY X 94