USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -9.4! C(o=-11!,f=-16!) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.13 K(o=-11,f=-8.4) USER MOD Set 2.1: A 49 ASN : amide:sc= -1.36 K(o=-4.8,f=-16!) USER MOD Set 2.2: A 52 MET CE :methyl -157:sc= -3.47 (180deg=-4.61!) USER MOD Single : A 5 THR OG1 : rot -36:sc= -0.0284 USER MOD Single : A 8 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.98) USER MOD Single : A 24 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.88) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 42:sc= -2.02! USER MOD Single : A 44 SER OG : rot -42:sc= 0.861 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.139 USER MOD Single : A 72 MET CE :methyl 164:sc= -4.72! (180deg=-5.81!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.729 -0.853 -18.777 1.00 0.00 N ATOM 40 CA LEU A 4 -14.992 -0.195 -17.660 1.00 0.00 C ATOM 41 C LEU A 4 -15.672 -0.507 -16.323 1.00 0.00 C ATOM 42 O LEU A 4 -16.066 -1.627 -16.066 1.00 0.00 O ATOM 43 CB LEU A 4 -15.062 1.304 -17.968 1.00 0.00 C ATOM 44 CG LEU A 4 -14.822 1.538 -19.461 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.575 3.026 -19.712 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.598 0.735 -19.912 1.00 0.00 C ATOM 0 HA LEU A 4 -13.963 -0.544 -17.579 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.037 1.698 -17.681 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.316 1.840 -17.382 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.698 1.216 -20.024 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.404 3.192 -20.776 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.445 3.599 -19.391 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.700 3.350 -19.149 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.426 0.901 -20.975 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.723 1.058 -19.348 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.773 -0.326 -19.734 1.00 0.00 H new ATOM 58 N THR A 5 -15.817 0.472 -15.470 1.00 0.00 N ATOM 59 CA THR A 5 -16.479 0.225 -14.155 1.00 0.00 C ATOM 60 C THR A 5 -15.887 -1.016 -13.484 1.00 0.00 C ATOM 61 O THR A 5 -14.701 -1.269 -13.564 1.00 0.00 O ATOM 62 CB THR A 5 -17.961 0.001 -14.483 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.161 -1.353 -14.869 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.392 0.927 -15.624 1.00 0.00 C ATOM 0 H THR A 5 -15.506 1.431 -15.626 1.00 0.00 H new ATOM 0 HA THR A 5 -16.337 1.057 -13.465 1.00 0.00 H new ATOM 0 HB THR A 5 -18.560 0.223 -13.599 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.382 -1.668 -15.373 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.445 0.761 -15.850 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.244 1.965 -15.326 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.793 0.716 -16.510 1.00 0.00 H new ATOM 72 N GLU A 6 -16.705 -1.792 -12.824 1.00 0.00 N ATOM 73 CA GLU A 6 -16.194 -3.021 -12.147 1.00 0.00 C ATOM 74 C GLU A 6 -15.168 -3.724 -13.037 1.00 0.00 C ATOM 75 O GLU A 6 -14.240 -4.350 -12.562 1.00 0.00 O ATOM 76 CB GLU A 6 -17.429 -3.899 -11.946 1.00 0.00 C ATOM 77 CG GLU A 6 -17.829 -4.542 -13.277 1.00 0.00 C ATOM 78 CD GLU A 6 -18.998 -5.503 -13.050 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.951 -6.241 -12.079 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.919 -5.482 -13.848 1.00 0.00 O ATOM 0 H GLU A 6 -17.707 -1.628 -12.724 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.694 -2.801 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.221 -4.672 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.253 -3.300 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.112 -3.772 -13.994 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.981 -5.078 -13.703 1.00 0.00 H new ATOM 87 N GLU A 7 -15.325 -3.616 -14.325 1.00 0.00 N ATOM 88 CA GLU A 7 -14.358 -4.265 -15.251 1.00 0.00 C ATOM 89 C GLU A 7 -13.010 -3.554 -15.151 1.00 0.00 C ATOM 90 O GLU A 7 -11.976 -4.177 -15.000 1.00 0.00 O ATOM 91 CB GLU A 7 -14.960 -4.089 -16.645 1.00 0.00 C ATOM 92 CG GLU A 7 -14.781 -5.380 -17.446 1.00 0.00 C ATOM 93 CD GLU A 7 -16.139 -5.846 -17.975 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.033 -5.021 -18.061 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.261 -7.020 -18.284 1.00 0.00 O ATOM 0 H GLU A 7 -16.083 -3.105 -14.778 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.191 -5.317 -15.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.019 -3.841 -16.567 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.476 -3.259 -17.160 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.094 -5.213 -18.275 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.340 -6.153 -16.817 1.00 0.00 H new ATOM 102 N GLN A 8 -13.014 -2.251 -15.215 1.00 0.00 N ATOM 103 CA GLN A 8 -11.730 -1.504 -15.103 1.00 0.00 C ATOM 104 C GLN A 8 -11.225 -1.600 -13.662 1.00 0.00 C ATOM 105 O GLN A 8 -10.070 -1.880 -13.412 1.00 0.00 O ATOM 106 CB GLN A 8 -12.061 -0.054 -15.496 1.00 0.00 C ATOM 107 CG GLN A 8 -12.499 0.754 -14.269 1.00 0.00 C ATOM 108 CD GLN A 8 -12.668 2.224 -14.660 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.880 2.757 -15.415 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.670 2.904 -14.175 1.00 0.00 N ATOM 0 H GLN A 8 -13.846 -1.674 -15.339 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.945 -1.902 -15.746 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.188 0.413 -15.952 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.854 -0.047 -16.244 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.437 0.361 -13.877 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.758 0.661 -13.475 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.331 2.456 -13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.792 3.884 -14.430 1.00 0.00 H new ATOM 119 N ILE A 9 -12.095 -1.383 -12.713 1.00 0.00 N ATOM 120 CA ILE A 9 -11.684 -1.474 -11.288 1.00 0.00 C ATOM 121 C ILE A 9 -11.010 -2.819 -11.031 1.00 0.00 C ATOM 122 O ILE A 9 -9.842 -2.886 -10.716 1.00 0.00 O ATOM 123 CB ILE A 9 -12.985 -1.377 -10.496 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.630 -0.011 -10.734 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.686 -1.550 -9.007 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.143 -0.123 -10.544 1.00 0.00 C ATOM 0 H ILE A 9 -13.075 -1.146 -12.867 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.976 -0.694 -11.008 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.669 -2.160 -10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.219 0.723 -10.041 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.404 0.340 -11.741 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.614 -1.481 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.229 -2.525 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.002 -0.767 -8.680 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.604 0.850 -10.713 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.547 -0.844 -11.255 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.359 -0.455 -9.528 1.00 0.00 H new ATOM 138 N ALA A 10 -11.739 -3.894 -11.170 1.00 0.00 N ATOM 139 CA ALA A 10 -11.132 -5.237 -10.936 1.00 0.00 C ATOM 140 C ALA A 10 -9.745 -5.298 -11.581 1.00 0.00 C ATOM 141 O ALA A 10 -8.772 -5.682 -10.958 1.00 0.00 O ATOM 142 CB ALA A 10 -12.083 -6.226 -11.612 1.00 0.00 C ATOM 0 H ALA A 10 -12.724 -3.901 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.005 -5.459 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.705 -7.240 -11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.071 -6.148 -11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.152 -5.996 -12.675 1.00 0.00 H new ATOM 148 N GLU A 11 -9.647 -4.909 -12.823 1.00 0.00 N ATOM 149 CA GLU A 11 -8.324 -4.934 -13.507 1.00 0.00 C ATOM 150 C GLU A 11 -7.347 -4.014 -12.773 1.00 0.00 C ATOM 151 O GLU A 11 -6.188 -4.334 -12.596 1.00 0.00 O ATOM 152 CB GLU A 11 -8.596 -4.412 -14.919 1.00 0.00 C ATOM 153 CG GLU A 11 -7.271 -4.239 -15.664 1.00 0.00 C ATOM 154 CD GLU A 11 -7.427 -4.736 -17.104 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.475 -5.939 -17.293 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.494 -3.902 -17.992 1.00 0.00 O ATOM 0 H GLU A 11 -10.425 -4.576 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.881 -5.930 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.240 -5.107 -15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.125 -3.460 -14.871 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.973 -3.190 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.482 -4.796 -15.159 1.00 0.00 H new ATOM 163 N PHE A 12 -7.811 -2.875 -12.338 1.00 0.00 N ATOM 164 CA PHE A 12 -6.917 -1.935 -11.606 1.00 0.00 C ATOM 165 C PHE A 12 -6.500 -2.552 -10.270 1.00 0.00 C ATOM 166 O PHE A 12 -5.330 -2.617 -9.947 1.00 0.00 O ATOM 167 CB PHE A 12 -7.762 -0.681 -11.386 1.00 0.00 C ATOM 168 CG PHE A 12 -7.936 0.041 -12.701 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.831 0.239 -13.538 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.197 0.514 -13.085 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.987 0.908 -14.758 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.352 1.183 -14.305 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.247 1.381 -15.141 1.00 0.00 C ATOM 0 H PHE A 12 -8.772 -2.555 -12.458 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.001 -1.713 -12.153 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.735 -0.952 -10.975 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.280 -0.027 -10.660 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.858 -0.125 -13.242 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.050 0.363 -12.440 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.135 1.059 -15.404 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.325 1.547 -14.601 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.367 1.899 -16.081 1.00 0.00 H new ATOM 183 N LYS A 13 -7.448 -3.011 -9.498 1.00 0.00 N ATOM 184 CA LYS A 13 -7.113 -3.634 -8.185 1.00 0.00 C ATOM 185 C LYS A 13 -5.877 -4.517 -8.341 1.00 0.00 C ATOM 186 O LYS A 13 -4.896 -4.358 -7.641 1.00 0.00 O ATOM 187 CB LYS A 13 -8.336 -4.476 -7.820 1.00 0.00 C ATOM 188 CG LYS A 13 -9.297 -3.640 -6.973 1.00 0.00 C ATOM 189 CD LYS A 13 -10.027 -4.550 -5.982 1.00 0.00 C ATOM 190 CE LYS A 13 -9.194 -4.687 -4.705 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.193 -4.819 -3.608 1.00 0.00 N ATOM 0 H LYS A 13 -8.443 -2.981 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.890 -2.897 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.837 -4.820 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.028 -5.365 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.747 -2.867 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.017 -3.132 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.008 -4.136 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.193 -5.531 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.541 -5.558 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.555 -3.817 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.699 -4.917 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.796 -3.972 -3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.782 -5.660 -3.774 1.00 0.00 H new ATOM 205 N GLU A 14 -5.905 -5.435 -9.268 1.00 0.00 N ATOM 206 CA GLU A 14 -4.715 -6.306 -9.474 1.00 0.00 C ATOM 207 C GLU A 14 -3.492 -5.424 -9.729 1.00 0.00 C ATOM 208 O GLU A 14 -2.439 -5.613 -9.148 1.00 0.00 O ATOM 209 CB GLU A 14 -5.043 -7.148 -10.708 1.00 0.00 C ATOM 210 CG GLU A 14 -4.858 -8.630 -10.380 1.00 0.00 C ATOM 211 CD GLU A 14 -5.162 -9.471 -11.621 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.068 -9.104 -12.352 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.486 -10.466 -11.819 1.00 0.00 O ATOM 0 H GLU A 14 -6.695 -5.618 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.494 -6.936 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.068 -6.961 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.395 -6.865 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.837 -8.814 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.519 -8.917 -9.562 1.00 0.00 H new ATOM 220 N ALA A 15 -3.631 -4.447 -10.585 1.00 0.00 N ATOM 221 CA ALA A 15 -2.488 -3.537 -10.869 1.00 0.00 C ATOM 222 C ALA A 15 -2.098 -2.792 -9.594 1.00 0.00 C ATOM 223 O ALA A 15 -0.938 -2.710 -9.240 1.00 0.00 O ATOM 224 CB ALA A 15 -3.008 -2.563 -11.926 1.00 0.00 C ATOM 0 H ALA A 15 -4.488 -4.241 -11.099 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.603 -4.070 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.220 -1.857 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.310 -3.117 -12.815 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.865 -2.019 -11.529 1.00 0.00 H new ATOM 230 N PHE A 16 -3.060 -2.253 -8.891 1.00 0.00 N ATOM 231 CA PHE A 16 -2.736 -1.524 -7.633 1.00 0.00 C ATOM 232 C PHE A 16 -1.757 -2.352 -6.803 1.00 0.00 C ATOM 233 O PHE A 16 -0.647 -1.935 -6.532 1.00 0.00 O ATOM 234 CB PHE A 16 -4.066 -1.376 -6.893 1.00 0.00 C ATOM 235 CG PHE A 16 -3.796 -0.926 -5.476 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.459 0.408 -5.219 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.878 -1.843 -4.421 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.203 0.826 -3.907 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.622 -1.425 -3.109 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.285 -0.091 -2.853 1.00 0.00 C ATOM 0 H PHE A 16 -4.050 -2.287 -9.133 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.274 -0.555 -7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.701 -0.652 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.603 -2.325 -6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.396 1.115 -6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.139 -2.872 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.943 1.855 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.685 -2.132 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.088 0.231 -1.841 1.00 0.00 H new ATOM 250 N ALA A 17 -2.156 -3.530 -6.404 1.00 0.00 N ATOM 251 CA ALA A 17 -1.242 -4.387 -5.601 1.00 0.00 C ATOM 252 C ALA A 17 0.154 -4.364 -6.223 1.00 0.00 C ATOM 253 O ALA A 17 1.142 -4.144 -5.550 1.00 0.00 O ATOM 254 CB ALA A 17 -1.843 -5.791 -5.676 1.00 0.00 C ATOM 0 H ALA A 17 -3.072 -3.933 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.145 -4.048 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.223 -6.483 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.850 -5.778 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.885 -6.114 -6.716 1.00 0.00 H new ATOM 260 N LEU A 18 0.245 -4.580 -7.508 1.00 0.00 N ATOM 261 CA LEU A 18 1.579 -4.556 -8.171 1.00 0.00 C ATOM 262 C LEU A 18 2.361 -3.326 -7.703 1.00 0.00 C ATOM 263 O LEU A 18 3.541 -3.396 -7.419 1.00 0.00 O ATOM 264 CB LEU A 18 1.281 -4.468 -9.667 1.00 0.00 C ATOM 265 CG LEU A 18 2.081 -5.539 -10.412 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.525 -6.922 -10.069 1.00 0.00 C ATOM 267 CD2 LEU A 18 1.964 -5.304 -11.919 1.00 0.00 C ATOM 0 H LEU A 18 -0.545 -4.771 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 18 2.181 -5.433 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.215 -4.607 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.541 -3.478 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 18 3.128 -5.484 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.095 -7.685 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.605 -7.090 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.478 -6.978 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.533 -6.066 -12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.917 -5.360 -12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.359 -4.318 -12.165 1.00 0.00 H new ATOM 279 N PHE A 19 1.706 -2.199 -7.612 1.00 0.00 N ATOM 280 CA PHE A 19 2.403 -0.965 -7.152 1.00 0.00 C ATOM 281 C PHE A 19 2.633 -1.034 -5.641 1.00 0.00 C ATOM 282 O PHE A 19 3.666 -0.635 -5.139 1.00 0.00 O ATOM 283 CB PHE A 19 1.449 0.181 -7.496 1.00 0.00 C ATOM 284 CG PHE A 19 1.252 0.245 -8.992 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.258 0.778 -9.808 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.066 -0.228 -9.564 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.077 0.839 -11.195 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.116 -0.168 -10.951 1.00 0.00 C ATOM 289 CZ PHE A 19 0.890 0.366 -11.766 1.00 0.00 C ATOM 0 H PHE A 19 0.718 -2.081 -7.837 1.00 0.00 H new ATOM 0 HA PHE A 19 3.378 -0.836 -7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.491 0.031 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.853 1.126 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.174 1.142 -9.367 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.710 -0.640 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.853 1.251 -11.824 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.032 -0.533 -11.392 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.750 0.413 -12.836 1.00 0.00 H new ATOM 299 N ASP A 20 1.678 -1.547 -4.915 1.00 0.00 N ATOM 300 CA ASP A 20 1.834 -1.655 -3.436 1.00 0.00 C ATOM 301 C ASP A 20 2.947 -2.655 -3.102 1.00 0.00 C ATOM 302 O ASP A 20 3.613 -2.545 -2.092 1.00 0.00 O ATOM 303 CB ASP A 20 0.474 -2.150 -2.939 1.00 0.00 C ATOM 304 CG ASP A 20 0.621 -2.761 -1.546 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.058 -3.894 -1.462 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.292 -2.085 -0.585 1.00 0.00 O ATOM 0 H ASP A 20 0.794 -1.897 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 20 2.113 -0.712 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.235 -1.323 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.072 -2.891 -3.630 1.00 0.00 H new ATOM 311 N LYS A 21 3.161 -3.619 -3.957 1.00 0.00 N ATOM 312 CA LYS A 21 4.242 -4.626 -3.718 1.00 0.00 C ATOM 313 C LYS A 21 3.927 -5.514 -2.506 1.00 0.00 C ATOM 314 O LYS A 21 4.799 -6.165 -1.966 1.00 0.00 O ATOM 315 CB LYS A 21 5.506 -3.803 -3.463 1.00 0.00 C ATOM 316 CG LYS A 21 6.482 -4.001 -4.624 1.00 0.00 C ATOM 317 CD LYS A 21 7.440 -5.149 -4.296 1.00 0.00 C ATOM 318 CE LYS A 21 8.866 -4.606 -4.175 1.00 0.00 C ATOM 319 NZ LYS A 21 9.533 -5.493 -3.181 1.00 0.00 N ATOM 0 H LYS A 21 2.631 -3.755 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 21 4.350 -5.300 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.252 -2.748 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.971 -4.110 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.934 -4.221 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.044 -3.084 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.142 -5.630 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.394 -5.909 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.381 -4.632 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.866 -3.568 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.516 -5.183 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.025 -5.443 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.524 -6.473 -3.529 1.00 0.00 H new ATOM 333 N ASP A 22 2.695 -5.559 -2.078 1.00 0.00 N ATOM 334 CA ASP A 22 2.351 -6.424 -0.907 1.00 0.00 C ATOM 335 C ASP A 22 0.850 -6.368 -0.602 1.00 0.00 C ATOM 336 O ASP A 22 0.432 -6.583 0.519 1.00 0.00 O ATOM 337 CB ASP A 22 3.160 -5.858 0.263 1.00 0.00 C ATOM 338 CG ASP A 22 3.086 -4.330 0.257 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.054 -3.805 0.640 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.064 -3.712 -0.128 1.00 0.00 O ATOM 0 H ASP A 22 1.916 -5.040 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 22 2.586 -7.471 -1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.773 -6.246 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.198 -6.181 0.188 1.00 0.00 H new ATOM 345 N ASN A 23 0.039 -6.093 -1.591 1.00 0.00 N ATOM 346 CA ASN A 23 -1.441 -6.032 -1.370 1.00 0.00 C ATOM 347 C ASN A 23 -1.768 -5.429 0.000 1.00 0.00 C ATOM 348 O ASN A 23 -2.779 -5.741 0.598 1.00 0.00 O ATOM 349 CB ASN A 23 -1.921 -7.481 -1.430 1.00 0.00 C ATOM 350 CG ASN A 23 -1.194 -8.226 -2.554 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.704 -8.341 -3.650 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.016 -8.740 -2.325 1.00 0.00 N ATOM 0 H ASN A 23 0.338 -5.907 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.927 -5.403 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.736 -7.974 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.997 -7.510 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.476 -9.238 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.412 -8.643 -1.404 1.00 0.00 H new ATOM 359 N ASN A 24 -0.926 -4.568 0.504 1.00 0.00 N ATOM 360 CA ASN A 24 -1.201 -3.951 1.833 1.00 0.00 C ATOM 361 C ASN A 24 -2.321 -2.913 1.713 1.00 0.00 C ATOM 362 O ASN A 24 -2.684 -2.265 2.675 1.00 0.00 O ATOM 363 CB ASN A 24 0.111 -3.281 2.240 1.00 0.00 C ATOM 364 CG ASN A 24 -0.120 -2.414 3.479 1.00 0.00 C ATOM 365 OD1 ASN A 24 0.436 -1.340 3.596 1.00 0.00 O ATOM 366 ND2 ASN A 24 -0.923 -2.838 4.416 1.00 0.00 N ATOM 0 H ASN A 24 -0.062 -4.266 0.054 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.527 -4.686 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.868 -4.037 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.488 -2.669 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.084 -2.268 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.390 -3.740 4.318 1.00 0.00 H new ATOM 373 N GLY A 25 -2.869 -2.748 0.540 1.00 0.00 N ATOM 374 CA GLY A 25 -3.963 -1.752 0.362 1.00 0.00 C ATOM 375 C GLY A 25 -3.381 -0.339 0.419 1.00 0.00 C ATOM 376 O GLY A 25 -4.090 0.626 0.622 1.00 0.00 O ATOM 0 H GLY A 25 -2.606 -3.260 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.463 -1.912 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.715 -1.879 1.141 1.00 0.00 H new ATOM 380 N SER A 26 -2.095 -0.210 0.242 1.00 0.00 N ATOM 381 CA SER A 26 -1.469 1.143 0.286 1.00 0.00 C ATOM 382 C SER A 26 -0.155 1.142 -0.501 1.00 0.00 C ATOM 383 O SER A 26 0.620 0.210 -0.433 1.00 0.00 O ATOM 384 CB SER A 26 -1.214 1.409 1.770 1.00 0.00 C ATOM 385 OG SER A 26 0.146 1.779 1.959 1.00 0.00 O ATOM 0 H SER A 26 -1.451 -0.982 0.069 1.00 0.00 H new ATOM 0 HA SER A 26 -2.101 1.910 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.871 2.203 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.444 0.518 2.355 1.00 0.00 H new ATOM 0 HG SER A 26 0.309 1.951 2.910 1.00 0.00 H new ATOM 391 N ILE A 27 0.098 2.180 -1.247 1.00 0.00 N ATOM 392 CA ILE A 27 1.360 2.236 -2.039 1.00 0.00 C ATOM 393 C ILE A 27 2.233 3.403 -1.568 1.00 0.00 C ATOM 394 O ILE A 27 1.744 4.467 -1.240 1.00 0.00 O ATOM 395 CB ILE A 27 0.903 2.446 -3.485 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.469 1.106 -4.077 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.050 3.020 -4.321 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.642 1.340 -5.102 1.00 0.00 C ATOM 0 H ILE A 27 -0.513 2.991 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 27 1.962 1.334 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 27 0.067 3.146 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.318 0.613 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.116 0.444 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.714 3.166 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.362 3.977 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.891 2.327 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.953 0.385 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.493 1.815 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.273 1.987 -5.898 1.00 0.00 H new ATOM 410 N SER A 28 3.524 3.213 -1.538 1.00 0.00 N ATOM 411 CA SER A 28 4.432 4.309 -1.094 1.00 0.00 C ATOM 412 C SER A 28 5.497 4.571 -2.163 1.00 0.00 C ATOM 413 O SER A 28 5.319 4.251 -3.321 1.00 0.00 O ATOM 414 CB SER A 28 5.076 3.793 0.191 1.00 0.00 C ATOM 415 OG SER A 28 4.129 3.014 0.911 1.00 0.00 O ATOM 0 H SER A 28 3.990 2.345 -1.802 1.00 0.00 H new ATOM 0 HA SER A 28 3.903 5.248 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.954 3.192 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.416 4.629 0.802 1.00 0.00 H new ATOM 0 HG SER A 28 4.540 2.680 1.736 1.00 0.00 H new ATOM 421 N SER A 29 6.602 5.152 -1.783 1.00 0.00 N ATOM 422 CA SER A 29 7.676 5.434 -2.779 1.00 0.00 C ATOM 423 C SER A 29 8.467 4.159 -3.082 1.00 0.00 C ATOM 424 O SER A 29 8.881 3.924 -4.200 1.00 0.00 O ATOM 425 CB SER A 29 8.572 6.475 -2.110 1.00 0.00 C ATOM 426 OG SER A 29 8.330 7.748 -2.696 1.00 0.00 O ATOM 0 H SER A 29 6.808 5.443 -0.827 1.00 0.00 H new ATOM 0 HA SER A 29 7.275 5.790 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.371 6.510 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.620 6.200 -2.229 1.00 0.00 H new ATOM 0 HG SER A 29 8.902 8.419 -2.268 1.00 0.00 H new ATOM 432 N SER A 30 8.682 3.333 -2.094 1.00 0.00 N ATOM 433 CA SER A 30 9.448 2.075 -2.326 1.00 0.00 C ATOM 434 C SER A 30 8.571 1.040 -3.037 1.00 0.00 C ATOM 435 O SER A 30 9.060 0.166 -3.725 1.00 0.00 O ATOM 436 CB SER A 30 9.832 1.583 -0.931 1.00 0.00 C ATOM 437 OG SER A 30 10.381 2.662 -0.188 1.00 0.00 O ATOM 0 H SER A 30 8.360 3.475 -1.136 1.00 0.00 H new ATOM 0 HA SER A 30 10.321 2.236 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.956 1.183 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.556 0.772 -1.005 1.00 0.00 H new ATOM 0 HG SER A 30 10.627 2.351 0.708 1.00 0.00 H new ATOM 443 N GLU A 31 7.279 1.132 -2.878 1.00 0.00 N ATOM 444 CA GLU A 31 6.374 0.151 -3.545 1.00 0.00 C ATOM 445 C GLU A 31 6.203 0.512 -5.024 1.00 0.00 C ATOM 446 O GLU A 31 6.468 -0.286 -5.901 1.00 0.00 O ATOM 447 CB GLU A 31 5.040 0.271 -2.807 1.00 0.00 C ATOM 448 CG GLU A 31 5.291 0.320 -1.299 1.00 0.00 C ATOM 449 CD GLU A 31 4.184 -0.446 -0.572 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.047 -0.359 -1.005 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.493 -1.107 0.406 1.00 0.00 O ATOM 0 H GLU A 31 6.811 1.843 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 31 6.768 -0.864 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.515 1.171 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.400 -0.576 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.263 -0.116 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.317 1.355 -0.957 1.00 0.00 H new ATOM 458 N LEU A 32 5.763 1.707 -5.307 1.00 0.00 N ATOM 459 CA LEU A 32 5.577 2.113 -6.729 1.00 0.00 C ATOM 460 C LEU A 32 6.916 2.067 -7.470 1.00 0.00 C ATOM 461 O LEU A 32 6.978 1.741 -8.639 1.00 0.00 O ATOM 462 CB LEU A 32 5.046 3.545 -6.666 1.00 0.00 C ATOM 463 CG LEU A 32 3.548 3.547 -6.976 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.935 4.875 -6.530 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.339 3.369 -8.482 1.00 0.00 C ATOM 0 H LEU A 32 5.525 2.419 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 32 4.896 1.450 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.224 3.967 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.577 4.173 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 32 3.066 2.728 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.868 4.876 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.083 5.002 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.416 5.695 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.272 3.370 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.822 4.188 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.775 2.422 -8.800 1.00 0.00 H new ATOM 477 N ALA A 33 7.988 2.389 -6.799 1.00 0.00 N ATOM 478 CA ALA A 33 9.321 2.361 -7.467 1.00 0.00 C ATOM 479 C ALA A 33 9.687 0.926 -7.851 1.00 0.00 C ATOM 480 O ALA A 33 10.005 0.639 -8.988 1.00 0.00 O ATOM 481 CB ALA A 33 10.298 2.903 -6.424 1.00 0.00 C ATOM 0 H ALA A 33 7.999 2.670 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 33 9.337 2.950 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.305 2.914 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.009 3.917 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.278 2.265 -5.540 1.00 0.00 H new ATOM 487 N THR A 34 9.642 0.021 -6.911 1.00 0.00 N ATOM 488 CA THR A 34 9.987 -1.396 -7.223 1.00 0.00 C ATOM 489 C THR A 34 9.248 -1.854 -8.482 1.00 0.00 C ATOM 490 O THR A 34 9.658 -2.783 -9.150 1.00 0.00 O ATOM 491 CB THR A 34 9.521 -2.194 -6.004 1.00 0.00 C ATOM 492 OG1 THR A 34 8.360 -1.584 -5.458 1.00 0.00 O ATOM 493 CG2 THR A 34 10.630 -2.219 -4.952 1.00 0.00 C ATOM 0 H THR A 34 9.382 0.201 -5.941 1.00 0.00 H new ATOM 0 HA THR A 34 11.052 -1.531 -7.414 1.00 0.00 H new ATOM 0 HB THR A 34 9.288 -3.215 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.763 -1.308 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.296 -2.788 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.520 -2.688 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.866 -1.199 -4.648 1.00 0.00 H new ATOM 501 N VAL A 35 8.161 -1.213 -8.810 1.00 0.00 N ATOM 502 CA VAL A 35 7.395 -1.613 -10.026 1.00 0.00 C ATOM 503 C VAL A 35 8.282 -1.502 -11.269 1.00 0.00 C ATOM 504 O VAL A 35 8.530 -2.472 -11.957 1.00 0.00 O ATOM 505 CB VAL A 35 6.233 -0.625 -10.107 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.362 -0.957 -11.319 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.390 -0.727 -8.833 1.00 0.00 C ATOM 0 H VAL A 35 7.769 -0.429 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 35 7.048 -2.645 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 35 6.624 0.387 -10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.533 -0.251 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.961 -0.887 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.970 -1.969 -11.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.560 -0.023 -8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.000 -1.740 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.009 -0.491 -7.967 1.00 0.00 H new ATOM 639 N SER A 44 14.174 7.814 -9.674 1.00 0.00 N ATOM 640 CA SER A 44 14.753 8.297 -8.389 1.00 0.00 C ATOM 641 C SER A 44 13.649 8.833 -7.474 1.00 0.00 C ATOM 642 O SER A 44 12.592 9.219 -7.931 1.00 0.00 O ATOM 643 CB SER A 44 15.716 9.416 -8.782 1.00 0.00 C ATOM 644 OG SER A 44 15.244 10.045 -9.967 1.00 0.00 O ATOM 0 HA SER A 44 15.256 7.501 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.794 10.145 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.715 9.012 -8.944 1.00 0.00 H new ATOM 0 HG SER A 44 14.923 9.363 -10.593 1.00 0.00 H new ATOM 650 N GLU A 45 13.890 8.848 -6.186 1.00 0.00 N ATOM 651 CA GLU A 45 12.864 9.348 -5.219 1.00 0.00 C ATOM 652 C GLU A 45 12.060 10.503 -5.821 1.00 0.00 C ATOM 653 O GLU A 45 10.845 10.497 -5.803 1.00 0.00 O ATOM 654 CB GLU A 45 13.663 9.824 -4.004 1.00 0.00 C ATOM 655 CG GLU A 45 14.796 10.749 -4.457 1.00 0.00 C ATOM 656 CD GLU A 45 15.845 10.853 -3.348 1.00 0.00 C ATOM 657 OE1 GLU A 45 16.316 9.818 -2.906 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.158 11.966 -2.960 1.00 0.00 O ATOM 0 H GLU A 45 14.761 8.532 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 45 12.142 8.574 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.008 10.350 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.073 8.967 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.252 10.363 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.401 11.737 -4.692 1.00 0.00 H new ATOM 665 N ALA A 46 12.718 11.490 -6.365 1.00 0.00 N ATOM 666 CA ALA A 46 11.967 12.626 -6.970 1.00 0.00 C ATOM 667 C ALA A 46 10.860 12.078 -7.873 1.00 0.00 C ATOM 668 O ALA A 46 9.718 12.486 -7.795 1.00 0.00 O ATOM 669 CB ALA A 46 13.001 13.397 -7.791 1.00 0.00 C ATOM 0 H ALA A 46 13.734 11.559 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 46 11.494 13.264 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.522 14.252 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.798 13.748 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.421 12.742 -8.555 1.00 0.00 H new ATOM 675 N GLU A 47 11.194 11.143 -8.718 1.00 0.00 N ATOM 676 CA GLU A 47 10.170 10.546 -9.621 1.00 0.00 C ATOM 677 C GLU A 47 9.327 9.534 -8.834 1.00 0.00 C ATOM 678 O GLU A 47 8.164 9.324 -9.115 1.00 0.00 O ATOM 679 CB GLU A 47 10.988 9.861 -10.726 1.00 0.00 C ATOM 680 CG GLU A 47 10.234 8.646 -11.278 1.00 0.00 C ATOM 681 CD GLU A 47 8.790 9.040 -11.594 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.524 10.228 -11.673 1.00 0.00 O ATOM 683 OE2 GLU A 47 7.974 8.146 -11.751 1.00 0.00 O ATOM 0 H GLU A 47 12.136 10.765 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 47 9.475 11.277 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.188 10.569 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.954 9.548 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.727 8.277 -12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.250 7.834 -10.551 1.00 0.00 H new ATOM 690 N VAL A 48 9.912 8.915 -7.846 1.00 0.00 N ATOM 691 CA VAL A 48 9.157 7.923 -7.029 1.00 0.00 C ATOM 692 C VAL A 48 8.080 8.643 -6.221 1.00 0.00 C ATOM 693 O VAL A 48 6.896 8.469 -6.436 1.00 0.00 O ATOM 694 CB VAL A 48 10.199 7.311 -6.091 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.618 6.072 -5.412 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.444 6.911 -6.885 1.00 0.00 C ATOM 0 H VAL A 48 10.884 9.054 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 48 8.662 7.167 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 48 10.471 8.049 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.364 5.639 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.736 6.352 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.340 5.339 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.182 6.476 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.171 6.179 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.868 7.793 -7.366 1.00 0.00 H new ATOM 706 N ASN A 49 8.492 9.460 -5.294 1.00 0.00 N ATOM 707 CA ASN A 49 7.515 10.212 -4.463 1.00 0.00 C ATOM 708 C ASN A 49 6.572 11.015 -5.368 1.00 0.00 C ATOM 709 O ASN A 49 5.400 11.162 -5.085 1.00 0.00 O ATOM 710 CB ASN A 49 8.389 11.135 -3.608 1.00 0.00 C ATOM 711 CG ASN A 49 7.604 12.386 -3.200 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.441 12.303 -2.860 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.197 13.548 -3.221 1.00 0.00 N ATOM 0 H ASN A 49 9.472 9.640 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 49 6.881 9.570 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.728 10.604 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.280 11.423 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.684 14.387 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.174 13.617 -3.507 1.00 0.00 H new ATOM 720 N ASP A 50 7.076 11.532 -6.456 1.00 0.00 N ATOM 721 CA ASP A 50 6.207 12.319 -7.377 1.00 0.00 C ATOM 722 C ASP A 50 5.018 11.471 -7.832 1.00 0.00 C ATOM 723 O ASP A 50 3.896 11.934 -7.882 1.00 0.00 O ATOM 724 CB ASP A 50 7.104 12.670 -8.565 1.00 0.00 C ATOM 725 CG ASP A 50 7.738 14.043 -8.339 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.591 14.569 -7.249 1.00 0.00 O ATOM 727 OD2 ASP A 50 8.361 14.544 -9.261 1.00 0.00 O ATOM 0 H ASP A 50 8.050 11.444 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 50 5.798 13.210 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.881 11.914 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.521 12.674 -9.486 1.00 0.00 H new ATOM 732 N LEU A 51 5.254 10.231 -8.162 1.00 0.00 N ATOM 733 CA LEU A 51 4.135 9.353 -8.611 1.00 0.00 C ATOM 734 C LEU A 51 3.153 9.122 -7.460 1.00 0.00 C ATOM 735 O LEU A 51 1.969 9.363 -7.584 1.00 0.00 O ATOM 736 CB LEU A 51 4.801 8.038 -9.020 1.00 0.00 C ATOM 737 CG LEU A 51 4.213 7.560 -10.348 1.00 0.00 C ATOM 738 CD1 LEU A 51 4.707 6.142 -10.644 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.686 7.557 -10.256 1.00 0.00 C ATOM 0 H LEU A 51 6.172 9.787 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 51 3.567 9.793 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.878 8.178 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.645 7.284 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 51 4.529 8.230 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.288 5.801 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.795 6.142 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.390 5.472 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.265 7.216 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.371 6.887 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.332 8.566 -10.044 1.00 0.00 H new ATOM 751 N MET A 52 3.636 8.660 -6.339 1.00 0.00 N ATOM 752 CA MET A 52 2.729 8.417 -5.180 1.00 0.00 C ATOM 753 C MET A 52 1.846 9.643 -4.938 1.00 0.00 C ATOM 754 O MET A 52 0.635 9.549 -4.892 1.00 0.00 O ATOM 755 CB MET A 52 3.662 8.183 -3.991 1.00 0.00 C ATOM 756 CG MET A 52 2.870 8.307 -2.687 1.00 0.00 C ATOM 757 SD MET A 52 2.941 10.016 -2.097 1.00 0.00 S ATOM 758 CE MET A 52 4.744 10.153 -2.012 1.00 0.00 C ATOM 0 H MET A 52 4.618 8.440 -6.175 1.00 0.00 H new ATOM 0 HA MET A 52 2.061 7.572 -5.345 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.116 7.194 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.475 8.909 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.834 8.010 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.281 7.634 -1.934 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.016 10.941 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.165 9.206 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.137 10.395 -2.999 1.00 0.00 H new ATOM 768 N ASN A 53 2.441 10.794 -4.783 1.00 0.00 N ATOM 769 CA ASN A 53 1.636 12.026 -4.544 1.00 0.00 C ATOM 770 C ASN A 53 0.644 12.240 -5.691 1.00 0.00 C ATOM 771 O ASN A 53 -0.536 12.434 -5.475 1.00 0.00 O ATOM 772 CB ASN A 53 2.656 13.164 -4.497 1.00 0.00 C ATOM 773 CG ASN A 53 2.332 14.092 -3.326 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.676 15.101 -3.498 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.768 13.794 -2.133 1.00 0.00 N ATOM 0 H ASN A 53 3.451 10.935 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 53 1.052 11.966 -3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.662 12.760 -4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.637 13.722 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.558 14.407 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.318 12.948 -1.988 1.00 0.00 H new ATOM 782 N GLU A 54 1.114 12.205 -6.908 1.00 0.00 N ATOM 783 CA GLU A 54 0.197 12.407 -8.067 1.00 0.00 C ATOM 784 C GLU A 54 -1.103 11.624 -7.853 1.00 0.00 C ATOM 785 O GLU A 54 -2.185 12.174 -7.908 1.00 0.00 O ATOM 786 CB GLU A 54 0.959 11.860 -9.274 1.00 0.00 C ATOM 787 CG GLU A 54 2.041 12.858 -9.689 1.00 0.00 C ATOM 788 CD GLU A 54 1.481 13.809 -10.749 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.784 14.738 -10.373 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.757 13.593 -11.917 1.00 0.00 O ATOM 0 H GLU A 54 2.092 12.046 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.079 13.453 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.411 10.899 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.273 11.686 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.381 13.424 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.908 12.327 -10.083 1.00 0.00 H new ATOM 797 N ILE A 55 -1.003 10.347 -7.606 1.00 0.00 N ATOM 798 CA ILE A 55 -2.233 9.532 -7.387 1.00 0.00 C ATOM 799 C ILE A 55 -2.750 9.731 -5.961 1.00 0.00 C ATOM 800 O ILE A 55 -3.845 9.323 -5.624 1.00 0.00 O ATOM 801 CB ILE A 55 -1.791 8.084 -7.599 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.308 7.905 -9.041 1.00 0.00 C ATOM 803 CG2 ILE A 55 -2.971 7.146 -7.338 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.698 6.512 -9.206 1.00 0.00 C ATOM 0 H ILE A 55 -0.124 9.832 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.042 9.814 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.980 7.848 -6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.140 8.033 -9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.569 8.668 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.656 6.114 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.317 7.273 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.783 7.382 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.354 6.385 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.145 6.401 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.450 5.756 -8.979 1.00 0.00 H new ATOM 816 N ASP A 56 -1.973 10.356 -5.118 1.00 0.00 N ATOM 817 CA ASP A 56 -2.422 10.579 -3.715 1.00 0.00 C ATOM 818 C ASP A 56 -3.568 11.593 -3.682 1.00 0.00 C ATOM 819 O ASP A 56 -3.510 12.633 -4.310 1.00 0.00 O ATOM 820 CB ASP A 56 -1.195 11.133 -2.989 1.00 0.00 C ATOM 821 CG ASP A 56 -1.323 10.859 -1.489 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.324 10.285 -1.095 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.416 11.229 -0.761 1.00 0.00 O ATOM 0 H ASP A 56 -1.047 10.721 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.792 9.665 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.289 10.669 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.107 12.205 -3.168 1.00 0.00 H new ATOM 828 N VAL A 57 -4.610 11.300 -2.953 1.00 0.00 N ATOM 829 CA VAL A 57 -5.759 12.248 -2.879 1.00 0.00 C ATOM 830 C VAL A 57 -5.735 12.998 -1.545 1.00 0.00 C ATOM 831 O VAL A 57 -6.145 14.138 -1.455 1.00 0.00 O ATOM 832 CB VAL A 57 -7.005 11.368 -2.979 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.095 10.773 -4.385 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.915 10.235 -1.956 1.00 0.00 C ATOM 0 H VAL A 57 -4.716 10.446 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.729 13.000 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.891 11.970 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.983 10.145 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.158 11.578 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.208 10.171 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.804 9.608 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.029 9.633 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.848 10.655 -0.953 1.00 0.00 H new ATOM 844 N ASP A 58 -5.258 12.365 -0.509 1.00 0.00 N ATOM 845 CA ASP A 58 -5.206 13.041 0.819 1.00 0.00 C ATOM 846 C ASP A 58 -3.799 13.587 1.080 1.00 0.00 C ATOM 847 O ASP A 58 -3.625 14.577 1.764 1.00 0.00 O ATOM 848 CB ASP A 58 -5.555 11.950 1.833 1.00 0.00 C ATOM 849 CG ASP A 58 -4.625 10.752 1.636 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.459 10.870 1.974 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.095 9.737 1.149 1.00 0.00 O ATOM 0 H ASP A 58 -4.902 11.409 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.891 13.887 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.457 12.337 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.593 11.642 1.709 1.00 0.00 H new ATOM 856 N GLY A 59 -2.796 12.952 0.539 1.00 0.00 N ATOM 857 CA GLY A 59 -1.403 13.437 0.756 1.00 0.00 C ATOM 858 C GLY A 59 -0.814 12.769 1.999 1.00 0.00 C ATOM 859 O GLY A 59 -0.582 13.406 3.007 1.00 0.00 O ATOM 0 H GLY A 59 -2.880 12.119 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.789 13.211 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.399 14.520 0.877 1.00 0.00 H new ATOM 863 N ASN A 60 -0.570 11.488 1.936 1.00 0.00 N ATOM 864 CA ASN A 60 0.003 10.780 3.115 1.00 0.00 C ATOM 865 C ASN A 60 1.268 10.014 2.712 1.00 0.00 C ATOM 866 O ASN A 60 1.554 8.953 3.230 1.00 0.00 O ATOM 867 CB ASN A 60 -1.091 9.813 3.572 1.00 0.00 C ATOM 868 CG ASN A 60 -1.561 8.965 2.387 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.723 9.464 1.292 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.792 7.693 2.565 1.00 0.00 N ATOM 0 H ASN A 60 -0.743 10.902 1.119 1.00 0.00 H new ATOM 0 HA ASN A 60 0.291 11.470 3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.711 9.168 4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.931 10.370 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.109 7.118 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.656 7.274 3.485 1.00 0.00 H new ATOM 877 N HIS A 61 2.025 10.546 1.792 1.00 0.00 N ATOM 878 CA HIS A 61 3.275 9.856 1.353 1.00 0.00 C ATOM 879 C HIS A 61 2.944 8.505 0.708 1.00 0.00 C ATOM 880 O HIS A 61 3.818 7.706 0.439 1.00 0.00 O ATOM 881 CB HIS A 61 4.089 9.653 2.632 1.00 0.00 C ATOM 882 CG HIS A 61 4.093 10.926 3.432 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.710 12.143 2.888 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.433 11.189 4.736 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.826 13.073 3.852 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.263 12.546 5.000 1.00 0.00 N ATOM 0 H HIS A 61 1.833 11.431 1.323 1.00 0.00 H new ATOM 0 HA HIS A 61 3.821 10.435 0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.663 8.842 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.110 9.364 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.780 10.455 5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.594 14.119 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.435 13.033 5.880 1.00 0.00 H new ATOM 894 N GLN A 62 1.691 8.247 0.454 1.00 0.00 N ATOM 895 CA GLN A 62 1.309 6.950 -0.177 1.00 0.00 C ATOM 896 C GLN A 62 -0.162 6.975 -0.591 1.00 0.00 C ATOM 897 O GLN A 62 -0.934 7.791 -0.126 1.00 0.00 O ATOM 898 CB GLN A 62 1.545 5.884 0.897 1.00 0.00 C ATOM 899 CG GLN A 62 1.111 6.415 2.266 1.00 0.00 C ATOM 900 CD GLN A 62 0.686 5.247 3.157 1.00 0.00 C ATOM 901 OE1 GLN A 62 1.518 4.556 3.712 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.584 4.994 3.317 1.00 0.00 N ATOM 0 H GLN A 62 0.915 8.877 0.656 1.00 0.00 H new ATOM 0 HA GLN A 62 1.891 6.750 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.985 4.981 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.599 5.608 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.931 6.962 2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.285 7.117 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.282 5.574 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.879 4.216 3.908 1.00 0.00 H new ATOM 911 N ILE A 63 -0.557 6.091 -1.464 1.00 0.00 N ATOM 912 CA ILE A 63 -1.976 6.068 -1.908 1.00 0.00 C ATOM 913 C ILE A 63 -2.546 4.651 -1.804 1.00 0.00 C ATOM 914 O ILE A 63 -1.825 3.675 -1.861 1.00 0.00 O ATOM 915 CB ILE A 63 -1.935 6.521 -3.367 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.354 5.402 -4.232 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.061 7.769 -3.493 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.483 4.466 -4.667 1.00 0.00 C ATOM 0 H ILE A 63 0.043 5.384 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.611 6.708 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.946 6.753 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.857 5.822 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.601 4.847 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.033 8.090 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.476 8.567 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.050 7.540 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.075 3.666 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.960 4.037 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.220 5.027 -5.241 1.00 0.00 H new ATOM 930 N GLU A 64 -3.837 4.533 -1.663 1.00 0.00 N ATOM 931 CA GLU A 64 -4.459 3.182 -1.565 1.00 0.00 C ATOM 932 C GLU A 64 -5.019 2.775 -2.930 1.00 0.00 C ATOM 933 O GLU A 64 -4.679 3.351 -3.943 1.00 0.00 O ATOM 934 CB GLU A 64 -5.586 3.335 -0.543 1.00 0.00 C ATOM 935 CG GLU A 64 -4.991 3.426 0.863 1.00 0.00 C ATOM 936 CD GLU A 64 -5.725 4.507 1.658 1.00 0.00 C ATOM 937 OE1 GLU A 64 -5.389 5.668 1.492 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.610 4.156 2.421 1.00 0.00 O ATOM 0 H GLU A 64 -4.490 5.315 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.747 2.413 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.170 4.229 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.267 2.486 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.078 2.465 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.928 3.661 0.805 1.00 0.00 H new ATOM 945 N PHE A 65 -5.874 1.792 -2.970 1.00 0.00 N ATOM 946 CA PHE A 65 -6.442 1.369 -4.280 1.00 0.00 C ATOM 947 C PHE A 65 -7.349 2.465 -4.845 1.00 0.00 C ATOM 948 O PHE A 65 -7.003 3.137 -5.795 1.00 0.00 O ATOM 949 CB PHE A 65 -7.253 0.111 -3.990 1.00 0.00 C ATOM 950 CG PHE A 65 -8.041 -0.240 -5.224 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.368 -0.530 -6.416 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.439 -0.259 -5.184 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.093 -0.840 -7.569 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.164 -0.568 -6.340 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.491 -0.858 -7.531 1.00 0.00 C ATOM 0 H PHE A 65 -6.202 1.267 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.660 1.185 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.592 -0.711 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.923 0.277 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.288 -0.514 -6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.957 -0.036 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.574 -1.066 -8.489 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.244 -0.583 -6.313 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.052 -1.096 -8.423 1.00 0.00 H new ATOM 965 N SER A 66 -8.512 2.638 -4.267 1.00 0.00 N ATOM 966 CA SER A 66 -9.462 3.683 -4.758 1.00 0.00 C ATOM 967 C SER A 66 -8.707 4.918 -5.261 1.00 0.00 C ATOM 968 O SER A 66 -9.075 5.517 -6.252 1.00 0.00 O ATOM 969 CB SER A 66 -10.317 4.038 -3.542 1.00 0.00 C ATOM 970 OG SER A 66 -10.486 2.882 -2.734 1.00 0.00 O ATOM 0 H SER A 66 -8.846 2.096 -3.470 1.00 0.00 H new ATOM 0 HA SER A 66 -10.061 3.326 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.840 4.831 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.287 4.416 -3.863 1.00 0.00 H new ATOM 0 HG SER A 66 -11.033 3.106 -1.952 1.00 0.00 H new ATOM 976 N GLU A 67 -7.649 5.301 -4.598 1.00 0.00 N ATOM 977 CA GLU A 67 -6.878 6.489 -5.061 1.00 0.00 C ATOM 978 C GLU A 67 -6.221 6.168 -6.403 1.00 0.00 C ATOM 979 O GLU A 67 -6.250 6.955 -7.330 1.00 0.00 O ATOM 980 CB GLU A 67 -5.824 6.731 -3.980 1.00 0.00 C ATOM 981 CG GLU A 67 -6.506 6.794 -2.612 1.00 0.00 C ATOM 982 CD GLU A 67 -5.536 7.373 -1.581 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.619 8.069 -1.986 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.725 7.111 -0.405 1.00 0.00 O ATOM 0 H GLU A 67 -7.287 4.845 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.503 7.370 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.083 5.932 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.292 7.662 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.402 7.411 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.824 5.797 -2.307 1.00 0.00 H new ATOM 991 N PHE A 68 -5.643 5.003 -6.518 1.00 0.00 N ATOM 992 CA PHE A 68 -5.002 4.608 -7.803 1.00 0.00 C ATOM 993 C PHE A 68 -6.039 4.690 -8.928 1.00 0.00 C ATOM 994 O PHE A 68 -5.719 4.982 -10.063 1.00 0.00 O ATOM 995 CB PHE A 68 -4.538 3.166 -7.571 1.00 0.00 C ATOM 996 CG PHE A 68 -4.441 2.425 -8.885 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.717 2.971 -9.951 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.074 1.184 -9.033 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.627 2.277 -11.163 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.984 0.492 -10.245 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.260 1.038 -11.311 1.00 0.00 C ATOM 0 H PHE A 68 -5.587 4.307 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.171 5.251 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.568 3.165 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.237 2.655 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.228 3.927 -9.838 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.632 0.761 -8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.068 2.698 -11.985 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.473 -0.464 -10.358 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.190 0.504 -12.247 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.282 4.444 -8.612 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.348 4.516 -9.652 1.00 0.00 C ATOM 1013 C LEU A 69 -8.632 5.978 -9.999 1.00 0.00 C ATOM 1014 O LEU A 69 -8.863 6.325 -11.141 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.576 3.872 -9.005 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.564 2.364 -9.262 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.861 2.092 -10.737 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.189 1.796 -8.907 1.00 0.00 C ATOM 0 H LEU A 69 -7.605 4.196 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.065 4.012 -10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.579 4.068 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.486 4.313 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.326 1.887 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.852 1.017 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.842 2.494 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.101 2.570 -11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.181 0.722 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.428 2.275 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.977 1.986 -7.855 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.613 6.838 -9.017 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.878 8.281 -9.281 1.00 0.00 C ATOM 1032 C ALA A 70 -7.893 8.815 -10.324 1.00 0.00 C ATOM 1033 O ALA A 70 -8.271 9.482 -11.266 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.664 8.973 -7.934 1.00 0.00 C ATOM 0 H ALA A 70 -8.425 6.603 -8.042 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.880 8.455 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.840 10.043 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.358 8.563 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.641 8.806 -7.598 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.630 8.527 -10.162 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.622 9.018 -11.146 1.00 0.00 C ATOM 1042 C LEU A 71 -5.545 8.065 -12.343 1.00 0.00 C ATOM 1043 O LEU A 71 -5.314 8.477 -13.462 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.296 9.030 -10.385 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.275 9.867 -11.155 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.516 10.771 -10.182 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.287 8.939 -11.865 1.00 0.00 C ATOM 0 H LEU A 71 -6.253 7.974 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.875 10.003 -11.539 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.441 9.442 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.927 8.012 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.792 10.481 -11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.788 11.367 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.219 11.433 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.999 10.158 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.558 9.535 -12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.771 8.324 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.827 8.295 -12.560 1.00 0.00 H new ATOM 1059 N MET A 72 -5.738 6.795 -12.115 1.00 0.00 N ATOM 1060 CA MET A 72 -5.675 5.818 -13.241 1.00 0.00 C ATOM 1061 C MET A 72 -6.827 6.065 -14.218 1.00 0.00 C ATOM 1062 O MET A 72 -6.625 6.501 -15.334 1.00 0.00 O ATOM 1063 CB MET A 72 -5.814 4.444 -12.584 1.00 0.00 C ATOM 1064 CG MET A 72 -6.086 3.389 -13.657 1.00 0.00 C ATOM 1065 SD MET A 72 -4.875 3.551 -14.991 1.00 0.00 S ATOM 1066 CE MET A 72 -3.591 2.506 -14.262 1.00 0.00 C ATOM 0 H MET A 72 -5.936 6.391 -11.200 1.00 0.00 H new ATOM 0 HA MET A 72 -4.750 5.904 -13.811 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.903 4.196 -12.039 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.627 4.457 -11.858 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.031 2.391 -13.222 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.095 3.509 -14.052 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.867 2.231 -15.029 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.086 3.052 -13.465 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.045 1.604 -13.852 1.00 0.00 H new