USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= 1.06 K(o=2.9,f=1.9) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.81 K(o=2.9,f=1.9) USER MOD Single : A 1 LYS N :NH3+ -135:sc= 0.161 (180deg=-0.27) USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 2 SER OG : rot -85:sc= 1.23 USER MOD Single : A 7 LYS NZ :NH3+ 140:sc= 0.182 (180deg=-0.175) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.5 (180deg=0) USER MOD Single : A 24 SER OG : rot -155:sc= 1.51 USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= 0.141 (180deg=-0.801) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0564) USER MOD Single : A 33 GLN : amide:sc= -0.0296 K(o=-0.03,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.0118 (180deg=-0.154) USER MOD Single : A 44 SER OG : rot 47:sc= 0.967 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0.371 (180deg=0.369) USER MOD Single : A 56 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.85 X(o=-1.8,f=-2.3) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0.251 (180deg=0.227) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000384) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -19.171 -0.179 -5.420 1.00 0.00 N ATOM 2 CA LYS A 1 -17.954 0.330 -4.817 1.00 0.00 C ATOM 3 C LYS A 1 -16.999 0.764 -5.934 1.00 0.00 C ATOM 4 O LYS A 1 -17.351 0.687 -7.110 1.00 0.00 O ATOM 5 CB LYS A 1 -17.330 -0.740 -3.910 1.00 0.00 C ATOM 6 CG LYS A 1 -18.279 -1.241 -2.811 1.00 0.00 C ATOM 7 CD LYS A 1 -18.811 -0.094 -1.939 1.00 0.00 C ATOM 8 CE LYS A 1 -19.437 -0.614 -0.640 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.581 -1.505 -0.901 1.00 0.00 N ATOM 0 H1 LYS A 1 -19.995 0.211 -4.920 1.00 0.00 H new ATOM 0 H2 LYS A 1 -19.207 0.103 -6.420 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.184 -1.217 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 1 -18.170 1.195 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.017 -1.586 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.432 -0.333 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.117 -1.767 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.756 -1.961 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.997 0.591 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.553 0.475 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.684 -1.150 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.765 0.229 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.029 -1.768 0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.274 -1.014 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.249 -2.363 -1.386 1.00 0.00 H new ATOM 25 N SER A 2 -15.799 1.223 -5.576 1.00 0.00 N ATOM 26 CA SER A 2 -14.778 1.693 -6.500 1.00 0.00 C ATOM 27 C SER A 2 -13.465 1.787 -5.702 1.00 0.00 C ATOM 28 O SER A 2 -13.468 1.412 -4.523 1.00 0.00 O ATOM 29 CB SER A 2 -15.239 3.047 -7.072 1.00 0.00 C ATOM 30 OG SER A 2 -15.103 4.058 -6.092 1.00 0.00 O ATOM 0 H SER A 2 -15.506 1.278 -4.601 1.00 0.00 H new ATOM 0 HA SER A 2 -14.618 1.025 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.647 3.300 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.278 2.980 -7.395 1.00 0.00 H new ATOM 0 HG SER A 2 -15.903 4.075 -5.526 1.00 0.00 H new ATOM 36 N PRO A 3 -12.351 2.284 -6.279 1.00 0.00 N ATOM 37 CA PRO A 3 -11.086 2.447 -5.572 1.00 0.00 C ATOM 38 C PRO A 3 -11.217 3.175 -4.231 1.00 0.00 C ATOM 39 O PRO A 3 -10.338 3.032 -3.386 1.00 0.00 O ATOM 40 CB PRO A 3 -10.159 3.197 -6.531 1.00 0.00 C ATOM 41 CG PRO A 3 -10.684 2.764 -7.897 1.00 0.00 C ATOM 42 CD PRO A 3 -12.192 2.733 -7.653 1.00 0.00 C ATOM 0 HA PRO A 3 -10.688 1.469 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.221 4.277 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.115 2.917 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.411 3.468 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.297 1.789 -8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.634 3.719 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.689 2.056 -8.348 1.00 0.00 H new ATOM 50 N GLU A 4 -12.298 3.937 -4.011 1.00 0.00 N ATOM 51 CA GLU A 4 -12.594 4.635 -2.782 1.00 0.00 C ATOM 52 C GLU A 4 -12.393 3.732 -1.556 1.00 0.00 C ATOM 53 O GLU A 4 -11.926 4.189 -0.517 1.00 0.00 O ATOM 54 CB GLU A 4 -14.028 5.162 -2.914 1.00 0.00 C ATOM 55 CG GLU A 4 -15.108 4.082 -2.745 1.00 0.00 C ATOM 56 CD GLU A 4 -16.492 4.589 -3.131 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.990 5.489 -2.422 1.00 0.00 O ATOM 58 OE2 GLU A 4 -17.019 4.067 -4.139 1.00 0.00 O ATOM 0 H GLU A 4 -13.012 4.081 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.908 5.467 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.188 5.941 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.144 5.628 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.855 3.218 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.122 3.744 -1.709 1.00 0.00 H new ATOM 65 N GLU A 5 -12.725 2.442 -1.675 1.00 0.00 N ATOM 66 CA GLU A 5 -12.550 1.491 -0.586 1.00 0.00 C ATOM 67 C GLU A 5 -11.065 1.401 -0.237 1.00 0.00 C ATOM 68 O GLU A 5 -10.660 1.545 0.914 1.00 0.00 O ATOM 69 CB GLU A 5 -13.063 0.103 -0.998 1.00 0.00 C ATOM 70 CG GLU A 5 -14.527 0.106 -1.446 1.00 0.00 C ATOM 71 CD GLU A 5 -15.479 0.521 -0.329 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.735 -0.333 0.546 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.938 1.682 -0.378 1.00 0.00 O ATOM 0 H GLU A 5 -13.119 2.036 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.119 1.831 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.443 -0.280 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.949 -0.583 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.644 0.786 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.798 -0.889 -1.799 1.00 0.00 H new ATOM 80 N LEU A 6 -10.247 1.172 -1.265 1.00 0.00 N ATOM 81 CA LEU A 6 -8.810 1.026 -1.113 1.00 0.00 C ATOM 82 C LEU A 6 -8.205 2.364 -0.692 1.00 0.00 C ATOM 83 O LEU A 6 -7.210 2.390 0.022 1.00 0.00 O ATOM 84 CB LEU A 6 -8.184 0.396 -2.364 1.00 0.00 C ATOM 85 CG LEU A 6 -8.450 -1.125 -2.385 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.307 -1.684 -3.802 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.494 -1.894 -1.460 1.00 0.00 C ATOM 0 H LEU A 6 -10.570 1.083 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.580 0.323 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.600 0.858 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.111 0.585 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.471 -1.262 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.499 -2.757 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.024 -1.194 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.296 -1.500 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.719 -2.959 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.465 -1.726 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.618 -1.543 -0.436 1.00 0.00 H new ATOM 99 N LYS A 7 -8.811 3.479 -1.099 1.00 0.00 N ATOM 100 CA LYS A 7 -8.403 4.804 -0.664 1.00 0.00 C ATOM 101 C LYS A 7 -8.620 4.917 0.845 1.00 0.00 C ATOM 102 O LYS A 7 -7.724 5.338 1.574 1.00 0.00 O ATOM 103 CB LYS A 7 -9.191 5.860 -1.447 1.00 0.00 C ATOM 104 CG LYS A 7 -8.550 7.247 -1.318 1.00 0.00 C ATOM 105 CD LYS A 7 -9.223 8.232 -2.281 1.00 0.00 C ATOM 106 CE LYS A 7 -8.562 9.614 -2.222 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.165 9.575 -2.693 1.00 0.00 N ATOM 0 H LYS A 7 -9.602 3.483 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.345 4.972 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.238 5.576 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.217 5.896 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.645 7.606 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.484 7.185 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.167 7.844 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.280 8.322 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.131 10.315 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.590 9.987 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.967 10.421 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.523 9.552 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.018 8.724 -3.273 1.00 0.00 H new ATOM 121 N GLY A 8 -9.807 4.519 1.313 1.00 0.00 N ATOM 122 CA GLY A 8 -10.153 4.533 2.723 1.00 0.00 C ATOM 123 C GLY A 8 -9.140 3.692 3.492 1.00 0.00 C ATOM 124 O GLY A 8 -8.566 4.148 4.472 1.00 0.00 O ATOM 0 H GLY A 8 -10.556 4.176 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.156 5.556 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.158 4.137 2.868 1.00 0.00 H new ATOM 128 N ILE A 9 -8.912 2.463 3.032 1.00 0.00 N ATOM 129 CA ILE A 9 -7.960 1.523 3.613 1.00 0.00 C ATOM 130 C ILE A 9 -6.557 2.146 3.675 1.00 0.00 C ATOM 131 O ILE A 9 -5.943 2.198 4.741 1.00 0.00 O ATOM 132 CB ILE A 9 -8.001 0.244 2.764 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.343 -0.496 2.924 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.802 -0.678 2.992 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.413 -1.413 4.149 1.00 0.00 C ATOM 0 H ILE A 9 -9.400 2.084 2.220 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.224 1.278 4.642 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.923 0.566 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.145 0.239 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.526 -1.090 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.897 -1.561 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.883 -0.149 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.771 -0.982 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.390 -1.895 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.635 -2.174 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.264 -0.824 5.054 1.00 0.00 H new ATOM 147 N PHE A 10 -6.050 2.620 2.534 1.00 0.00 N ATOM 148 CA PHE A 10 -4.750 3.268 2.426 1.00 0.00 C ATOM 149 C PHE A 10 -4.653 4.361 3.489 1.00 0.00 C ATOM 150 O PHE A 10 -3.705 4.380 4.264 1.00 0.00 O ATOM 151 CB PHE A 10 -4.578 3.858 1.017 1.00 0.00 C ATOM 152 CG PHE A 10 -3.375 4.768 0.851 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.461 6.090 1.326 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.113 4.248 0.502 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.319 6.700 1.855 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.962 5.012 0.758 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.059 6.163 1.555 1.00 0.00 C ATOM 0 H PHE A 10 -6.545 2.561 1.644 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.954 2.542 2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.498 3.039 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.477 4.418 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.397 6.627 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.031 3.274 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.406 7.572 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.009 4.716 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.165 6.634 1.936 1.00 0.00 H new ATOM 167 N GLU A 11 -5.636 5.265 3.522 1.00 0.00 N ATOM 168 CA GLU A 11 -5.671 6.372 4.466 1.00 0.00 C ATOM 169 C GLU A 11 -5.661 5.851 5.906 1.00 0.00 C ATOM 170 O GLU A 11 -4.895 6.325 6.742 1.00 0.00 O ATOM 171 CB GLU A 11 -6.900 7.243 4.171 1.00 0.00 C ATOM 172 CG GLU A 11 -6.847 8.566 4.941 1.00 0.00 C ATOM 173 CD GLU A 11 -8.045 9.445 4.601 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.941 10.184 3.598 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.048 9.351 5.341 1.00 0.00 O ATOM 0 H GLU A 11 -6.434 5.244 2.887 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.780 6.989 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.956 7.445 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.806 6.700 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.830 8.367 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.924 9.094 4.701 1.00 0.00 H new ATOM 182 N LYS A 12 -6.517 4.867 6.193 1.00 0.00 N ATOM 183 CA LYS A 12 -6.650 4.252 7.502 1.00 0.00 C ATOM 184 C LYS A 12 -5.283 3.790 7.993 1.00 0.00 C ATOM 185 O LYS A 12 -4.901 4.114 9.114 1.00 0.00 O ATOM 186 CB LYS A 12 -7.657 3.094 7.449 1.00 0.00 C ATOM 187 CG LYS A 12 -8.014 2.580 8.851 1.00 0.00 C ATOM 188 CD LYS A 12 -9.063 1.461 8.800 1.00 0.00 C ATOM 189 CE LYS A 12 -8.496 0.162 8.212 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.494 -0.920 8.239 1.00 0.00 N ATOM 0 H LYS A 12 -7.150 4.471 5.498 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.035 4.985 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.564 3.424 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.241 2.278 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.114 2.212 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.392 3.405 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.437 1.270 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.913 1.789 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.173 0.336 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.614 -0.140 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.080 -1.784 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.783 -1.101 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.325 -0.640 7.680 1.00 0.00 H new ATOM 204 N TYR A 13 -4.536 3.041 7.176 1.00 0.00 N ATOM 205 CA TYR A 13 -3.216 2.615 7.604 1.00 0.00 C ATOM 206 C TYR A 13 -2.264 3.804 7.629 1.00 0.00 C ATOM 207 O TYR A 13 -1.581 3.965 8.630 1.00 0.00 O ATOM 208 CB TYR A 13 -2.707 1.408 6.819 1.00 0.00 C ATOM 209 CG TYR A 13 -3.295 0.108 7.341 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.649 -0.181 7.093 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.494 -0.829 8.027 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.198 -1.405 7.501 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.064 -2.033 8.480 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.397 -2.345 8.168 1.00 0.00 C ATOM 215 OH TYR A 13 -4.893 -3.581 8.458 1.00 0.00 O ATOM 0 H TYR A 13 -4.817 2.729 6.246 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.279 2.248 8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.962 1.525 5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.620 1.366 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.269 0.543 6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.449 -0.623 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.237 -1.624 7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.474 -2.719 9.070 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.208 -4.108 8.920 1.00 0.00 H new ATOM 225 N ALA A 14 -2.211 4.649 6.591 1.00 0.00 N ATOM 226 CA ALA A 14 -1.333 5.822 6.574 1.00 0.00 C ATOM 227 C ALA A 14 -1.430 6.635 7.871 1.00 0.00 C ATOM 228 O ALA A 14 -0.433 7.119 8.399 1.00 0.00 O ATOM 229 CB ALA A 14 -1.681 6.690 5.367 1.00 0.00 C ATOM 0 H ALA A 14 -2.772 4.539 5.746 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.302 5.477 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.031 7.565 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.541 6.114 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.720 7.011 5.437 1.00 0.00 H new ATOM 235 N ALA A 15 -2.648 6.776 8.397 1.00 0.00 N ATOM 236 CA ALA A 15 -2.913 7.524 9.612 1.00 0.00 C ATOM 237 C ALA A 15 -2.062 7.077 10.808 1.00 0.00 C ATOM 238 O ALA A 15 -1.847 7.884 11.709 1.00 0.00 O ATOM 239 CB ALA A 15 -4.404 7.452 9.951 1.00 0.00 C ATOM 0 H ALA A 15 -3.484 6.366 7.980 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.627 8.557 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.597 8.015 10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.984 7.878 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.694 6.412 10.098 1.00 0.00 H new ATOM 245 N LYS A 16 -1.559 5.835 10.857 1.00 0.00 N ATOM 246 CA LYS A 16 -0.752 5.373 11.983 1.00 0.00 C ATOM 247 C LYS A 16 0.474 6.278 12.175 1.00 0.00 C ATOM 248 O LYS A 16 0.781 6.681 13.294 1.00 0.00 O ATOM 249 CB LYS A 16 -0.379 3.895 11.791 1.00 0.00 C ATOM 250 CG LYS A 16 -1.019 2.967 12.832 1.00 0.00 C ATOM 251 CD LYS A 16 -2.556 2.941 12.826 1.00 0.00 C ATOM 252 CE LYS A 16 -3.124 2.539 11.462 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.588 2.387 11.508 1.00 0.00 N ATOM 0 H LYS A 16 -1.700 5.136 10.127 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.334 5.440 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.685 3.577 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.705 3.792 11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.653 1.954 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.680 3.270 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.908 2.242 13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.935 3.926 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.859 3.293 10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.670 1.602 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.836 1.383 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.944 2.733 12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.019 2.937 10.738 1.00 0.00 H new ATOM 267 N GLU A 17 1.161 6.619 11.084 1.00 0.00 N ATOM 268 CA GLU A 17 2.308 7.522 11.084 1.00 0.00 C ATOM 269 C GLU A 17 1.884 8.982 11.303 1.00 0.00 C ATOM 270 O GLU A 17 2.729 9.875 11.335 1.00 0.00 O ATOM 271 CB GLU A 17 3.061 7.393 9.749 1.00 0.00 C ATOM 272 CG GLU A 17 4.457 6.768 9.908 1.00 0.00 C ATOM 273 CD GLU A 17 4.467 5.284 10.276 1.00 0.00 C ATOM 274 OE1 GLU A 17 3.412 4.758 10.687 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.557 4.686 10.132 1.00 0.00 O ATOM 0 H GLU A 17 0.929 6.266 10.156 1.00 0.00 H new ATOM 0 HA GLU A 17 2.960 7.239 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.472 6.785 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.159 8.380 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.004 6.898 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.000 7.320 10.675 1.00 0.00 H new ATOM 282 N GLY A 18 0.587 9.257 11.417 1.00 0.00 N ATOM 283 CA GLY A 18 0.044 10.589 11.605 1.00 0.00 C ATOM 284 C GLY A 18 -0.313 11.149 10.238 1.00 0.00 C ATOM 285 O GLY A 18 -1.462 11.498 9.991 1.00 0.00 O ATOM 0 H GLY A 18 -0.132 8.534 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.838 10.554 12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.772 11.231 12.101 1.00 0.00 H new ATOM 289 N ASP A 19 0.675 11.221 9.343 1.00 0.00 N ATOM 290 CA ASP A 19 0.486 11.704 7.980 1.00 0.00 C ATOM 291 C ASP A 19 -0.519 10.787 7.264 1.00 0.00 C ATOM 292 O ASP A 19 -0.197 9.626 7.032 1.00 0.00 O ATOM 293 CB ASP A 19 1.839 11.707 7.256 1.00 0.00 C ATOM 294 CG ASP A 19 1.723 12.297 5.855 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.974 11.709 5.046 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.386 13.331 5.617 1.00 0.00 O ATOM 0 H ASP A 19 1.635 10.943 9.549 1.00 0.00 H new ATOM 0 HA ASP A 19 0.093 12.721 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.561 12.282 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.221 10.688 7.192 1.00 0.00 H new ATOM 301 N PRO A 20 -1.722 11.257 6.901 1.00 0.00 N ATOM 302 CA PRO A 20 -2.731 10.405 6.288 1.00 0.00 C ATOM 303 C PRO A 20 -2.487 10.148 4.795 1.00 0.00 C ATOM 304 O PRO A 20 -3.202 9.349 4.199 1.00 0.00 O ATOM 305 CB PRO A 20 -4.041 11.168 6.494 1.00 0.00 C ATOM 306 CG PRO A 20 -3.600 12.629 6.404 1.00 0.00 C ATOM 307 CD PRO A 20 -2.232 12.608 7.086 1.00 0.00 C ATOM 0 HA PRO A 20 -2.726 9.413 6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.778 10.920 5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.494 10.941 7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.532 12.969 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.297 13.295 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.562 13.344 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.318 12.853 8.145 1.00 0.00 H new ATOM 315 N ASN A 21 -1.511 10.817 4.168 1.00 0.00 N ATOM 316 CA ASN A 21 -1.241 10.694 2.746 1.00 0.00 C ATOM 317 C ASN A 21 -0.175 9.645 2.432 1.00 0.00 C ATOM 318 O ASN A 21 -0.217 9.081 1.340 1.00 0.00 O ATOM 319 CB ASN A 21 -0.849 12.069 2.199 1.00 0.00 C ATOM 320 CG ASN A 21 -0.412 11.970 0.745 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.215 11.761 -0.154 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.874 12.118 0.482 1.00 0.00 N ATOM 0 H ASN A 21 -0.885 11.464 4.647 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.148 10.344 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.694 12.753 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.040 12.486 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.208 12.058 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.533 12.292 1.241 1.00 0.00 H new ATOM 329 N GLN A 22 0.772 9.378 3.343 1.00 0.00 N ATOM 330 CA GLN A 22 1.834 8.403 3.101 1.00 0.00 C ATOM 331 C GLN A 22 1.778 7.143 3.966 1.00 0.00 C ATOM 332 O GLN A 22 1.401 7.186 5.129 1.00 0.00 O ATOM 333 CB GLN A 22 3.227 8.996 3.313 1.00 0.00 C ATOM 334 CG GLN A 22 3.675 10.099 2.349 1.00 0.00 C ATOM 335 CD GLN A 22 3.526 11.464 2.996 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.782 12.314 2.525 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.226 11.698 4.094 1.00 0.00 N ATOM 0 H GLN A 22 0.820 9.828 4.257 1.00 0.00 H new ATOM 0 HA GLN A 22 1.657 8.127 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.273 9.394 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.952 8.184 3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.714 9.938 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.081 10.056 1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.841 10.976 4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.151 12.600 4.564 1.00 0.00 H new ATOM 346 N LEU A 23 2.213 6.026 3.375 1.00 0.00 N ATOM 347 CA LEU A 23 2.373 4.721 3.996 1.00 0.00 C ATOM 348 C LEU A 23 3.860 4.449 4.196 1.00 0.00 C ATOM 349 O LEU A 23 4.569 4.269 3.211 1.00 0.00 O ATOM 350 CB LEU A 23 1.832 3.637 3.057 1.00 0.00 C ATOM 351 CG LEU A 23 0.356 3.324 3.276 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.072 2.285 2.231 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.035 2.749 4.660 1.00 0.00 C ATOM 0 H LEU A 23 2.477 6.015 2.390 1.00 0.00 H new ATOM 0 HA LEU A 23 1.838 4.709 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.978 3.955 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.413 2.725 3.195 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.179 4.269 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.126 2.044 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.081 2.691 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.525 1.381 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.035 2.554 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.584 1.818 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.327 3.465 5.428 1.00 0.00 H new ATOM 365 N SER A 24 4.369 4.390 5.427 1.00 0.00 N ATOM 366 CA SER A 24 5.785 4.069 5.595 1.00 0.00 C ATOM 367 C SER A 24 6.013 2.611 5.185 1.00 0.00 C ATOM 368 O SER A 24 5.058 1.863 5.000 1.00 0.00 O ATOM 369 CB SER A 24 6.249 4.324 7.033 1.00 0.00 C ATOM 370 OG SER A 24 5.898 3.249 7.885 1.00 0.00 O ATOM 0 H SER A 24 3.848 4.553 6.289 1.00 0.00 H new ATOM 0 HA SER A 24 6.380 4.720 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.330 4.466 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.801 5.246 7.404 1.00 0.00 H new ATOM 0 HG SER A 24 5.823 3.573 8.807 1.00 0.00 H new ATOM 376 N LYS A 25 7.265 2.178 5.053 1.00 0.00 N ATOM 377 CA LYS A 25 7.561 0.787 4.727 1.00 0.00 C ATOM 378 C LYS A 25 6.945 -0.114 5.800 1.00 0.00 C ATOM 379 O LYS A 25 6.145 -1.006 5.520 1.00 0.00 O ATOM 380 CB LYS A 25 9.078 0.626 4.530 1.00 0.00 C ATOM 381 CG LYS A 25 9.605 -0.758 4.917 1.00 0.00 C ATOM 382 CD LYS A 25 11.000 -1.064 4.360 1.00 0.00 C ATOM 383 CE LYS A 25 12.078 -0.033 4.720 1.00 0.00 C ATOM 384 NZ LYS A 25 12.102 1.103 3.780 1.00 0.00 N ATOM 0 H LYS A 25 8.088 2.770 5.167 1.00 0.00 H new ATOM 0 HA LYS A 25 7.110 0.479 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.322 0.819 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.595 1.381 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.632 -0.836 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.907 -1.516 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.315 -2.041 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.934 -1.136 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.901 0.337 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.054 -0.518 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.059 1.209 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.429 0.928 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.835 1.974 4.281 1.00 0.00 H new ATOM 398 N GLU A 26 7.324 0.149 7.045 1.00 0.00 N ATOM 399 CA GLU A 26 6.793 -0.550 8.208 1.00 0.00 C ATOM 400 C GLU A 26 5.255 -0.530 8.183 1.00 0.00 C ATOM 401 O GLU A 26 4.606 -1.546 8.401 1.00 0.00 O ATOM 402 CB GLU A 26 7.352 0.097 9.483 1.00 0.00 C ATOM 403 CG GLU A 26 6.972 -0.696 10.740 1.00 0.00 C ATOM 404 CD GLU A 26 7.585 -0.075 11.991 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.817 -0.216 12.145 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.813 0.536 12.761 1.00 0.00 O ATOM 0 H GLU A 26 8.016 0.861 7.277 1.00 0.00 H new ATOM 0 HA GLU A 26 7.103 -1.595 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.438 0.164 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.975 1.116 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.887 -0.726 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.311 -1.727 10.639 1.00 0.00 H new ATOM 413 N GLU A 27 4.656 0.629 7.915 1.00 0.00 N ATOM 414 CA GLU A 27 3.208 0.773 7.874 1.00 0.00 C ATOM 415 C GLU A 27 2.579 -0.058 6.750 1.00 0.00 C ATOM 416 O GLU A 27 1.529 -0.676 6.926 1.00 0.00 O ATOM 417 CB GLU A 27 2.907 2.264 7.725 1.00 0.00 C ATOM 418 CG GLU A 27 1.509 2.717 8.125 1.00 0.00 C ATOM 419 CD GLU A 27 1.526 4.239 8.193 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.216 4.842 7.339 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.917 4.772 9.139 1.00 0.00 O ATOM 0 H GLU A 27 5.163 1.492 7.721 1.00 0.00 H new ATOM 0 HA GLU A 27 2.764 0.390 8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.630 2.820 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.072 2.543 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.772 2.373 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.229 2.293 9.089 1.00 0.00 H new ATOM 428 N LEU A 28 3.217 -0.084 5.581 1.00 0.00 N ATOM 429 CA LEU A 28 2.744 -0.855 4.453 1.00 0.00 C ATOM 430 C LEU A 28 2.769 -2.336 4.816 1.00 0.00 C ATOM 431 O LEU A 28 1.850 -3.069 4.462 1.00 0.00 O ATOM 432 CB LEU A 28 3.657 -0.580 3.254 1.00 0.00 C ATOM 433 CG LEU A 28 3.262 -1.369 2.001 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.933 -0.885 1.411 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.377 -1.229 0.969 1.00 0.00 C ATOM 0 H LEU A 28 4.077 0.433 5.398 1.00 0.00 H new ATOM 0 HA LEU A 28 1.722 -0.574 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.636 0.486 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.684 -0.828 3.523 1.00 0.00 H new ATOM 0 HG LEU A 28 3.124 -2.414 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.693 -1.472 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.142 -1.004 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.018 0.167 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.112 -1.785 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.511 -0.177 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.305 -1.625 1.380 1.00 0.00 H new ATOM 447 N LYS A 29 3.825 -2.770 5.516 1.00 0.00 N ATOM 448 CA LYS A 29 3.982 -4.165 5.909 1.00 0.00 C ATOM 449 C LYS A 29 2.695 -4.666 6.560 1.00 0.00 C ATOM 450 O LYS A 29 2.049 -5.564 6.023 1.00 0.00 O ATOM 451 CB LYS A 29 5.198 -4.355 6.827 1.00 0.00 C ATOM 452 CG LYS A 29 5.318 -5.776 7.394 1.00 0.00 C ATOM 453 CD LYS A 29 5.797 -6.780 6.340 1.00 0.00 C ATOM 454 CE LYS A 29 5.645 -8.228 6.817 1.00 0.00 C ATOM 455 NZ LYS A 29 6.358 -8.471 8.084 1.00 0.00 N ATOM 0 H LYS A 29 4.587 -2.164 5.821 1.00 0.00 H new ATOM 0 HA LYS A 29 4.170 -4.762 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.104 -4.116 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.135 -3.646 7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.013 -5.773 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.350 -6.093 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.229 -6.639 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.842 -6.585 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.587 -8.458 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.026 -8.904 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.373 -9.492 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.333 -8.119 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.871 -7.974 8.857 1.00 0.00 H new ATOM 469 N LEU A 30 2.327 -4.092 7.710 1.00 0.00 N ATOM 470 CA LEU A 30 1.104 -4.470 8.407 1.00 0.00 C ATOM 471 C LEU A 30 -0.088 -4.499 7.445 1.00 0.00 C ATOM 472 O LEU A 30 -0.840 -5.471 7.427 1.00 0.00 O ATOM 473 CB LEU A 30 0.797 -3.609 9.648 1.00 0.00 C ATOM 474 CG LEU A 30 1.650 -2.360 9.910 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.859 -1.357 10.759 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.932 -2.724 10.661 1.00 0.00 C ATOM 0 H LEU A 30 2.865 -3.361 8.176 1.00 0.00 H new ATOM 0 HA LEU A 30 1.278 -5.477 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.243 -3.290 9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.876 -4.253 10.524 1.00 0.00 H new ATOM 0 HG LEU A 30 1.907 -1.921 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.470 -0.473 10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.049 -1.068 10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.593 -1.816 11.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.520 -1.823 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.676 -3.181 11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.514 -3.428 10.067 1.00 0.00 H new ATOM 488 N LEU A 31 -0.254 -3.442 6.649 1.00 0.00 N ATOM 489 CA LEU A 31 -1.343 -3.315 5.687 1.00 0.00 C ATOM 490 C LEU A 31 -1.459 -4.568 4.824 1.00 0.00 C ATOM 491 O LEU A 31 -2.456 -5.293 4.860 1.00 0.00 O ATOM 492 CB LEU A 31 -1.095 -2.083 4.795 1.00 0.00 C ATOM 493 CG LEU A 31 -2.364 -1.384 4.297 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.986 -0.324 3.266 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.436 -2.303 3.718 1.00 0.00 C ATOM 0 H LEU A 31 0.375 -2.639 6.657 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.279 -3.193 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.496 -1.363 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.504 -2.390 3.932 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.818 -0.942 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.887 0.175 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.322 0.409 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.478 -0.798 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.290 -1.708 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.029 -2.845 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.756 -3.014 4.480 1.00 0.00 H new ATOM 507 N LEU A 32 -0.415 -4.807 4.036 1.00 0.00 N ATOM 508 CA LEU A 32 -0.395 -5.902 3.093 1.00 0.00 C ATOM 509 C LEU A 32 -0.505 -7.239 3.812 1.00 0.00 C ATOM 510 O LEU A 32 -1.325 -8.072 3.438 1.00 0.00 O ATOM 511 CB LEU A 32 0.859 -5.855 2.211 1.00 0.00 C ATOM 512 CG LEU A 32 1.089 -4.534 1.465 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.372 -4.652 0.636 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.073 -4.185 0.533 1.00 0.00 C ATOM 0 H LEU A 32 0.436 -4.244 4.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.262 -5.795 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.730 -6.057 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.798 -6.660 1.479 1.00 0.00 H new ATOM 0 HG LEU A 32 1.169 -3.740 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.546 -3.719 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.215 -4.854 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.269 -5.467 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.136 -3.242 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.195 -4.975 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.990 -4.089 1.115 1.00 0.00 H new ATOM 526 N GLN A 33 0.316 -7.458 4.838 1.00 0.00 N ATOM 527 CA GLN A 33 0.335 -8.716 5.550 1.00 0.00 C ATOM 528 C GLN A 33 -1.017 -9.061 6.174 1.00 0.00 C ATOM 529 O GLN A 33 -1.406 -10.224 6.184 1.00 0.00 O ATOM 530 CB GLN A 33 1.510 -8.722 6.535 1.00 0.00 C ATOM 531 CG GLN A 33 1.140 -8.453 7.998 1.00 0.00 C ATOM 532 CD GLN A 33 2.376 -8.428 8.891 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.822 -7.387 9.347 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.964 -9.583 9.160 1.00 0.00 N ATOM 0 H GLN A 33 0.979 -6.768 5.190 1.00 0.00 H new ATOM 0 HA GLN A 33 0.502 -9.528 4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.008 -9.690 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.233 -7.971 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.616 -7.500 8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.452 -9.223 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.586 -10.449 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.795 -9.607 9.751 1.00 0.00 H new ATOM 543 N THR A 34 -1.729 -8.064 6.701 1.00 0.00 N ATOM 544 CA THR A 34 -3.020 -8.293 7.330 1.00 0.00 C ATOM 545 C THR A 34 -4.120 -8.507 6.290 1.00 0.00 C ATOM 546 O THR A 34 -4.945 -9.402 6.449 1.00 0.00 O ATOM 547 CB THR A 34 -3.357 -7.122 8.270 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.295 -6.939 9.183 1.00 0.00 O ATOM 549 CG2 THR A 34 -4.629 -7.379 9.081 1.00 0.00 C ATOM 0 H THR A 34 -1.428 -7.089 6.702 1.00 0.00 H new ATOM 0 HA THR A 34 -2.960 -9.208 7.920 1.00 0.00 H new ATOM 0 HB THR A 34 -3.511 -6.241 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.590 -6.404 8.762 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.826 -6.525 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.470 -7.521 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.498 -8.274 9.689 1.00 0.00 H new ATOM 557 N GLU A 35 -4.163 -7.680 5.242 1.00 0.00 N ATOM 558 CA GLU A 35 -5.242 -7.729 4.262 1.00 0.00 C ATOM 559 C GLU A 35 -5.043 -8.726 3.122 1.00 0.00 C ATOM 560 O GLU A 35 -6.003 -9.380 2.721 1.00 0.00 O ATOM 561 CB GLU A 35 -5.512 -6.320 3.736 1.00 0.00 C ATOM 562 CG GLU A 35 -5.905 -5.409 4.909 1.00 0.00 C ATOM 563 CD GLU A 35 -6.383 -4.039 4.455 1.00 0.00 C ATOM 564 OE1 GLU A 35 -6.418 -3.817 3.227 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.705 -3.240 5.360 1.00 0.00 O ATOM 0 H GLU A 35 -3.458 -6.967 5.053 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.116 -8.111 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.625 -5.929 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.310 -6.343 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.693 -5.890 5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.049 -5.289 5.573 1.00 0.00 H new ATOM 572 N PHE A 36 -3.834 -8.852 2.579 1.00 0.00 N ATOM 573 CA PHE A 36 -3.594 -9.764 1.469 1.00 0.00 C ATOM 574 C PHE A 36 -2.131 -10.231 1.520 1.00 0.00 C ATOM 575 O PHE A 36 -1.325 -9.751 0.727 1.00 0.00 O ATOM 576 CB PHE A 36 -3.907 -9.090 0.111 1.00 0.00 C ATOM 577 CG PHE A 36 -4.197 -7.598 0.108 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.120 -6.710 -0.058 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.518 -7.106 0.068 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.359 -5.352 -0.324 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.753 -5.737 -0.156 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.673 -4.860 -0.357 1.00 0.00 C ATOM 0 H PHE A 36 -3.011 -8.336 2.889 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.258 -10.624 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.061 -9.268 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.767 -9.599 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.106 -7.073 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.350 -7.780 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.529 -4.684 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.765 -5.359 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.854 -3.810 -0.536 1.00 0.00 H new ATOM 592 N PRO A 37 -1.759 -11.171 2.408 1.00 0.00 N ATOM 593 CA PRO A 37 -0.396 -11.706 2.502 1.00 0.00 C ATOM 594 C PRO A 37 0.057 -12.433 1.217 1.00 0.00 C ATOM 595 O PRO A 37 1.219 -12.820 1.109 1.00 0.00 O ATOM 596 CB PRO A 37 -0.412 -12.644 3.714 1.00 0.00 C ATOM 597 CG PRO A 37 -1.878 -13.058 3.834 1.00 0.00 C ATOM 598 CD PRO A 37 -2.624 -11.801 3.391 1.00 0.00 C ATOM 0 HA PRO A 37 0.329 -10.900 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.236 -13.507 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.064 -12.139 4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.110 -13.911 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.135 -13.342 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.594 -12.050 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.811 -11.136 4.234 1.00 0.00 H new ATOM 606 N SER A 38 -0.823 -12.609 0.228 1.00 0.00 N ATOM 607 CA SER A 38 -0.532 -13.211 -1.060 1.00 0.00 C ATOM 608 C SER A 38 0.306 -12.255 -1.921 1.00 0.00 C ATOM 609 O SER A 38 1.415 -12.584 -2.333 1.00 0.00 O ATOM 610 CB SER A 38 -1.879 -13.544 -1.704 1.00 0.00 C ATOM 611 OG SER A 38 -2.709 -12.392 -1.658 1.00 0.00 O ATOM 0 H SER A 38 -1.798 -12.321 0.315 1.00 0.00 H new ATOM 0 HA SER A 38 0.061 -14.119 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.735 -13.863 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.354 -14.372 -1.178 1.00 0.00 H new ATOM 0 HG SER A 38 -3.574 -12.596 -2.070 1.00 0.00 H new ATOM 617 N LEU A 39 -0.225 -11.059 -2.191 1.00 0.00 N ATOM 618 CA LEU A 39 0.368 -9.986 -2.961 1.00 0.00 C ATOM 619 C LEU A 39 1.855 -9.754 -2.671 1.00 0.00 C ATOM 620 O LEU A 39 2.614 -9.387 -3.564 1.00 0.00 O ATOM 621 CB LEU A 39 -0.476 -8.737 -2.654 1.00 0.00 C ATOM 622 CG LEU A 39 -1.587 -8.522 -3.696 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.956 -9.085 -3.310 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.723 -7.027 -3.993 1.00 0.00 C ATOM 0 H LEU A 39 -1.151 -10.807 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 39 0.354 -10.242 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.921 -8.835 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.171 -7.860 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.274 -9.083 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.671 -8.883 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.877 -10.161 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.297 -8.612 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.510 -6.873 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.977 -6.495 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.779 -6.646 -4.384 1.00 0.00 H new ATOM 636 N LEU A 40 2.277 -9.985 -1.431 1.00 0.00 N ATOM 637 CA LEU A 40 3.627 -9.814 -0.938 1.00 0.00 C ATOM 638 C LEU A 40 4.613 -10.649 -1.740 1.00 0.00 C ATOM 639 O LEU A 40 5.746 -10.220 -1.934 1.00 0.00 O ATOM 640 CB LEU A 40 3.681 -10.307 0.508 1.00 0.00 C ATOM 641 CG LEU A 40 2.889 -9.443 1.492 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.425 -9.206 1.176 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.073 -10.005 2.906 1.00 0.00 C ATOM 0 H LEU A 40 1.642 -10.316 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 40 3.892 -8.760 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.299 -11.327 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.722 -10.344 0.830 1.00 0.00 H new ATOM 0 HG LEU A 40 3.312 -8.443 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.982 -8.580 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.337 -8.706 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.902 -10.161 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.512 -9.396 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.707 -11.031 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.131 -9.988 3.170 1.00 0.00 H new ATOM 655 N LYS A 41 4.196 -11.823 -2.223 1.00 0.00 N ATOM 656 CA LYS A 41 5.066 -12.661 -3.038 1.00 0.00 C ATOM 657 C LYS A 41 5.538 -11.859 -4.258 1.00 0.00 C ATOM 658 O LYS A 41 6.626 -12.102 -4.781 1.00 0.00 O ATOM 659 CB LYS A 41 4.364 -13.973 -3.415 1.00 0.00 C ATOM 660 CG LYS A 41 3.849 -14.768 -2.202 1.00 0.00 C ATOM 661 CD LYS A 41 4.945 -15.136 -1.191 1.00 0.00 C ATOM 662 CE LYS A 41 4.366 -15.913 -0.002 1.00 0.00 C ATOM 663 NZ LYS A 41 3.441 -15.088 0.802 1.00 0.00 N ATOM 0 H LYS A 41 3.266 -12.209 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 41 5.950 -12.949 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.526 -13.750 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.057 -14.597 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.082 -14.183 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.371 -15.682 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.710 -15.736 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.433 -14.229 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.840 -16.795 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.180 -16.266 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.219 -15.581 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.888 -14.174 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.564 -14.928 0.266 1.00 0.00 H new ATOM 677 N GLY A 42 4.742 -10.868 -4.678 1.00 0.00 N ATOM 678 CA GLY A 42 5.022 -9.939 -5.753 1.00 0.00 C ATOM 679 C GLY A 42 6.111 -8.948 -5.334 1.00 0.00 C ATOM 680 O GLY A 42 5.877 -7.745 -5.292 1.00 0.00 O ATOM 0 H GLY A 42 3.836 -10.692 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.341 -10.486 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.114 -9.399 -6.021 1.00 0.00 H new ATOM 684 N GLY A 43 7.296 -9.463 -5.010 1.00 0.00 N ATOM 685 CA GLY A 43 8.444 -8.712 -4.532 1.00 0.00 C ATOM 686 C GLY A 43 9.158 -9.586 -3.506 1.00 0.00 C ATOM 687 O GLY A 43 10.386 -9.603 -3.444 1.00 0.00 O ATOM 0 H GLY A 43 7.485 -10.463 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.112 -8.463 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.128 -7.771 -4.082 1.00 0.00 H new ATOM 691 N SER A 44 8.371 -10.330 -2.717 1.00 0.00 N ATOM 692 CA SER A 44 8.768 -11.266 -1.695 1.00 0.00 C ATOM 693 C SER A 44 9.531 -10.570 -0.570 1.00 0.00 C ATOM 694 O SER A 44 9.024 -10.453 0.543 1.00 0.00 O ATOM 695 CB SER A 44 9.479 -12.440 -2.355 1.00 0.00 C ATOM 696 OG SER A 44 8.563 -13.194 -3.129 1.00 0.00 O ATOM 0 H SER A 44 7.356 -10.276 -2.797 1.00 0.00 H new ATOM 0 HA SER A 44 7.900 -11.686 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.288 -12.075 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.932 -13.075 -1.594 1.00 0.00 H new ATOM 0 HG SER A 44 8.020 -12.588 -3.676 1.00 0.00 H new ATOM 702 N THR A 45 10.735 -10.083 -0.844 1.00 0.00 N ATOM 703 CA THR A 45 11.510 -9.342 0.127 1.00 0.00 C ATOM 704 C THR A 45 10.808 -7.999 0.349 1.00 0.00 C ATOM 705 O THR A 45 10.419 -7.331 -0.607 1.00 0.00 O ATOM 706 CB THR A 45 12.951 -9.183 -0.362 1.00 0.00 C ATOM 707 OG1 THR A 45 13.005 -9.288 -1.772 1.00 0.00 O ATOM 708 CG2 THR A 45 13.843 -10.289 0.205 1.00 0.00 C ATOM 0 H THR A 45 11.196 -10.194 -1.747 1.00 0.00 H new ATOM 0 HA THR A 45 11.569 -9.869 1.079 1.00 0.00 H new ATOM 0 HB THR A 45 13.299 -8.205 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.932 -9.183 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.863 -10.155 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.835 -10.241 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.468 -11.260 -0.118 1.00 0.00 H new ATOM 716 N LEU A 46 10.647 -7.616 1.617 1.00 0.00 N ATOM 717 CA LEU A 46 9.944 -6.408 2.030 1.00 0.00 C ATOM 718 C LEU A 46 10.440 -5.180 1.278 1.00 0.00 C ATOM 719 O LEU A 46 9.651 -4.425 0.727 1.00 0.00 O ATOM 720 CB LEU A 46 10.088 -6.211 3.546 1.00 0.00 C ATOM 721 CG LEU A 46 9.432 -4.918 4.069 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.943 -4.827 3.709 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.599 -4.847 5.590 1.00 0.00 C ATOM 0 H LEU A 46 11.013 -8.154 2.403 1.00 0.00 H new ATOM 0 HA LEU A 46 8.889 -6.532 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.645 -7.065 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.147 -6.200 3.803 1.00 0.00 H new ATOM 0 HG LEU A 46 9.932 -4.077 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.530 -3.898 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.829 -4.846 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.411 -5.673 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.136 -3.934 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.120 -5.711 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.660 -4.845 5.840 1.00 0.00 H new ATOM 735 N ASP A 47 11.755 -4.982 1.270 1.00 0.00 N ATOM 736 CA ASP A 47 12.408 -3.859 0.631 1.00 0.00 C ATOM 737 C ASP A 47 12.031 -3.834 -0.839 1.00 0.00 C ATOM 738 O ASP A 47 11.530 -2.828 -1.303 1.00 0.00 O ATOM 739 CB ASP A 47 13.923 -3.926 0.837 1.00 0.00 C ATOM 740 CG ASP A 47 14.281 -3.966 2.318 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.200 -5.081 2.879 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.590 -2.886 2.866 1.00 0.00 O ATOM 0 H ASP A 47 12.409 -5.621 1.723 1.00 0.00 H new ATOM 0 HA ASP A 47 12.071 -2.928 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.320 -4.811 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.394 -3.061 0.370 1.00 0.00 H new ATOM 747 N GLU A 48 12.241 -4.932 -1.565 1.00 0.00 N ATOM 748 CA GLU A 48 11.904 -5.022 -2.981 1.00 0.00 C ATOM 749 C GLU A 48 10.426 -4.691 -3.215 1.00 0.00 C ATOM 750 O GLU A 48 10.085 -3.882 -4.075 1.00 0.00 O ATOM 751 CB GLU A 48 12.227 -6.433 -3.490 1.00 0.00 C ATOM 752 CG GLU A 48 13.715 -6.793 -3.344 1.00 0.00 C ATOM 753 CD GLU A 48 14.630 -5.794 -4.044 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.496 -5.673 -5.281 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.439 -5.165 -3.327 1.00 0.00 O ATOM 0 H GLU A 48 12.651 -5.785 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 48 12.497 -4.293 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.627 -7.159 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.940 -6.510 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.973 -6.837 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.887 -7.788 -3.755 1.00 0.00 H new ATOM 762 N LEU A 49 9.547 -5.322 -2.438 1.00 0.00 N ATOM 763 CA LEU A 49 8.109 -5.135 -2.516 1.00 0.00 C ATOM 764 C LEU A 49 7.760 -3.658 -2.333 1.00 0.00 C ATOM 765 O LEU A 49 7.216 -3.012 -3.228 1.00 0.00 O ATOM 766 CB LEU A 49 7.467 -6.044 -1.456 1.00 0.00 C ATOM 767 CG LEU A 49 5.965 -5.828 -1.244 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.155 -6.272 -2.466 1.00 0.00 C ATOM 769 CD2 LEU A 49 5.537 -6.636 -0.015 1.00 0.00 C ATOM 0 H LEU A 49 9.827 -5.992 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 49 7.719 -5.414 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.633 -7.083 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.979 -5.888 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 49 5.774 -4.765 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.094 -6.104 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.466 -5.696 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.328 -7.332 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.470 -6.498 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.744 -7.693 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.092 -6.293 0.858 1.00 0.00 H new ATOM 781 N PHE A 50 8.090 -3.113 -1.164 1.00 0.00 N ATOM 782 CA PHE A 50 7.857 -1.728 -0.827 1.00 0.00 C ATOM 783 C PHE A 50 8.557 -0.846 -1.854 1.00 0.00 C ATOM 784 O PHE A 50 8.040 0.214 -2.151 1.00 0.00 O ATOM 785 CB PHE A 50 8.377 -1.474 0.593 1.00 0.00 C ATOM 786 CG PHE A 50 8.709 -0.031 0.891 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.733 0.869 1.354 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.017 0.413 0.641 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.098 2.195 1.656 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.371 1.748 0.900 1.00 0.00 C ATOM 791 CZ PHE A 50 9.420 2.631 1.444 1.00 0.00 C ATOM 0 H PHE A 50 8.536 -3.642 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 50 6.793 -1.490 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.628 -1.816 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.269 -2.079 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.710 0.545 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.753 -0.273 0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.362 2.879 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.370 2.095 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.704 3.642 1.699 1.00 0.00 H new ATOM 801 N GLU A 51 9.704 -1.250 -2.405 1.00 0.00 N ATOM 802 CA GLU A 51 10.380 -0.442 -3.417 1.00 0.00 C ATOM 803 C GLU A 51 9.541 -0.365 -4.690 1.00 0.00 C ATOM 804 O GLU A 51 9.385 0.723 -5.232 1.00 0.00 O ATOM 805 CB GLU A 51 11.806 -0.930 -3.707 1.00 0.00 C ATOM 806 CG GLU A 51 12.800 -0.410 -2.661 1.00 0.00 C ATOM 807 CD GLU A 51 14.157 -1.089 -2.812 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.907 -0.661 -3.715 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.419 -2.027 -2.026 1.00 0.00 O ATOM 0 H GLU A 51 10.178 -2.122 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 51 10.482 0.565 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.824 -2.020 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.112 -0.596 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.915 0.669 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.408 -0.591 -1.660 1.00 0.00 H new ATOM 816 N GLU A 52 8.986 -1.484 -5.170 1.00 0.00 N ATOM 817 CA GLU A 52 8.118 -1.442 -6.345 1.00 0.00 C ATOM 818 C GLU A 52 6.992 -0.455 -6.051 1.00 0.00 C ATOM 819 O GLU A 52 6.697 0.442 -6.835 1.00 0.00 O ATOM 820 CB GLU A 52 7.548 -2.835 -6.650 1.00 0.00 C ATOM 821 CG GLU A 52 6.358 -2.779 -7.629 1.00 0.00 C ATOM 822 CD GLU A 52 6.706 -2.101 -8.955 1.00 0.00 C ATOM 823 OE1 GLU A 52 7.785 -2.428 -9.496 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.885 -1.274 -9.409 1.00 0.00 O ATOM 0 H GLU A 52 9.121 -2.412 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 52 8.684 -1.125 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.333 -3.462 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.229 -3.306 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.009 -3.793 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.533 -2.244 -7.159 1.00 0.00 H new ATOM 831 N LEU A 53 6.364 -0.646 -4.896 1.00 0.00 N ATOM 832 CA LEU A 53 5.290 0.204 -4.425 1.00 0.00 C ATOM 833 C LEU A 53 5.723 1.678 -4.361 1.00 0.00 C ATOM 834 O LEU A 53 5.002 2.569 -4.801 1.00 0.00 O ATOM 835 CB LEU A 53 4.864 -0.324 -3.045 1.00 0.00 C ATOM 836 CG LEU A 53 3.721 -1.348 -3.130 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.135 -2.749 -2.665 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.510 -0.809 -2.359 1.00 0.00 C ATOM 0 H LEU A 53 6.594 -1.407 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 53 4.449 0.172 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.723 -0.783 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.551 0.513 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 53 3.449 -1.474 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.285 -3.426 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.952 -3.113 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.463 -2.705 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.694 -1.529 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.784 -0.650 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.190 0.136 -2.798 1.00 0.00 H new ATOM 850 N ASP A 54 6.905 1.944 -3.813 1.00 0.00 N ATOM 851 CA ASP A 54 7.488 3.260 -3.627 1.00 0.00 C ATOM 852 C ASP A 54 8.123 3.658 -4.956 1.00 0.00 C ATOM 853 O ASP A 54 9.340 3.764 -5.078 1.00 0.00 O ATOM 854 CB ASP A 54 8.487 3.179 -2.459 1.00 0.00 C ATOM 855 CG ASP A 54 8.986 4.537 -1.988 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.680 5.206 -2.782 1.00 0.00 O ATOM 857 OD2 ASP A 54 8.691 4.893 -0.827 1.00 0.00 O ATOM 0 H ASP A 54 7.513 1.201 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 54 6.760 4.027 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.014 2.665 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.341 2.573 -2.763 1.00 0.00 H new ATOM 862 N LYS A 55 7.280 3.874 -5.967 1.00 0.00 N ATOM 863 CA LYS A 55 7.727 4.229 -7.303 1.00 0.00 C ATOM 864 C LYS A 55 8.615 5.476 -7.263 1.00 0.00 C ATOM 865 O LYS A 55 9.617 5.553 -7.969 1.00 0.00 O ATOM 866 CB LYS A 55 6.502 4.364 -8.220 1.00 0.00 C ATOM 867 CG LYS A 55 6.844 4.462 -9.713 1.00 0.00 C ATOM 868 CD LYS A 55 7.759 3.342 -10.234 1.00 0.00 C ATOM 869 CE LYS A 55 7.297 1.915 -9.899 1.00 0.00 C ATOM 870 NZ LYS A 55 5.937 1.626 -10.384 1.00 0.00 N ATOM 0 H LYS A 55 6.266 3.806 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 55 8.355 3.442 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.848 3.506 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.939 5.251 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.917 4.452 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.324 5.422 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.842 3.436 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.758 3.490 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.994 1.200 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.331 1.771 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.691 0.641 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.260 2.266 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.898 1.767 -11.414 1.00 0.00 H new ATOM 884 N ASN A 56 8.253 6.446 -6.420 1.00 0.00 N ATOM 885 CA ASN A 56 9.015 7.663 -6.190 1.00 0.00 C ATOM 886 C ASN A 56 8.539 8.314 -4.890 1.00 0.00 C ATOM 887 O ASN A 56 8.025 9.426 -4.889 1.00 0.00 O ATOM 888 CB ASN A 56 8.950 8.623 -7.389 1.00 0.00 C ATOM 889 CG ASN A 56 9.772 9.891 -7.146 1.00 0.00 C ATOM 890 OD1 ASN A 56 9.337 10.995 -7.440 1.00 0.00 O ATOM 891 ND2 ASN A 56 10.983 9.770 -6.617 1.00 0.00 N ATOM 0 H ASN A 56 7.398 6.400 -5.866 1.00 0.00 H new ATOM 0 HA ASN A 56 10.069 7.407 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.318 8.116 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.912 8.894 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.554 10.600 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.343 8.847 -6.373 1.00 0.00 H new ATOM 898 N GLY A 57 8.715 7.598 -3.780 1.00 0.00 N ATOM 899 CA GLY A 57 8.367 8.051 -2.443 1.00 0.00 C ATOM 900 C GLY A 57 9.663 8.473 -1.759 1.00 0.00 C ATOM 901 O GLY A 57 9.821 9.621 -1.360 1.00 0.00 O ATOM 0 H GLY A 57 9.116 6.660 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.667 8.885 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.877 7.255 -1.882 1.00 0.00 H new ATOM 905 N ASP A 58 10.590 7.519 -1.630 1.00 0.00 N ATOM 906 CA ASP A 58 11.947 7.674 -1.110 1.00 0.00 C ATOM 907 C ASP A 58 11.912 8.163 0.330 1.00 0.00 C ATOM 908 O ASP A 58 12.690 9.001 0.769 1.00 0.00 O ATOM 909 CB ASP A 58 12.888 8.436 -2.067 1.00 0.00 C ATOM 910 CG ASP A 58 12.504 9.882 -2.375 1.00 0.00 C ATOM 911 OD1 ASP A 58 12.865 10.765 -1.569 1.00 0.00 O ATOM 912 OD2 ASP A 58 11.902 10.080 -3.455 1.00 0.00 O ATOM 0 H ASP A 58 10.397 6.556 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 58 12.420 6.693 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.891 8.431 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.940 7.887 -3.007 1.00 0.00 H new ATOM 917 N GLY A 59 10.972 7.571 1.058 1.00 0.00 N ATOM 918 CA GLY A 59 10.706 7.820 2.453 1.00 0.00 C ATOM 919 C GLY A 59 9.491 6.985 2.823 1.00 0.00 C ATOM 920 O GLY A 59 9.538 6.199 3.765 1.00 0.00 O ATOM 0 H GLY A 59 10.347 6.869 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.565 7.546 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.515 8.879 2.627 1.00 0.00 H new ATOM 924 N GLU A 60 8.401 7.149 2.066 1.00 0.00 N ATOM 925 CA GLU A 60 7.159 6.444 2.299 1.00 0.00 C ATOM 926 C GLU A 60 6.393 6.346 0.980 1.00 0.00 C ATOM 927 O GLU A 60 6.628 7.144 0.078 1.00 0.00 O ATOM 928 CB GLU A 60 6.311 7.258 3.279 1.00 0.00 C ATOM 929 CG GLU A 60 6.966 7.652 4.607 1.00 0.00 C ATOM 930 CD GLU A 60 5.963 8.382 5.494 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.761 9.592 5.245 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.402 7.710 6.386 1.00 0.00 O ATOM 0 H GLU A 60 8.367 7.784 1.269 1.00 0.00 H new ATOM 0 HA GLU A 60 7.364 5.451 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.993 8.170 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.410 6.687 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.333 6.762 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.829 8.291 4.420 1.00 0.00 H new ATOM 939 N VAL A 61 5.462 5.400 0.898 1.00 0.00 N ATOM 940 CA VAL A 61 4.569 5.184 -0.236 1.00 0.00 C ATOM 941 C VAL A 61 3.435 6.194 -0.052 1.00 0.00 C ATOM 942 O VAL A 61 3.358 6.839 0.987 1.00 0.00 O ATOM 943 CB VAL A 61 4.054 3.722 -0.228 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.020 3.406 -1.323 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.240 2.786 -0.469 1.00 0.00 C ATOM 0 H VAL A 61 5.302 4.734 1.654 1.00 0.00 H new ATOM 0 HA VAL A 61 5.061 5.328 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 61 3.572 3.582 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.714 2.363 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.149 4.050 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.463 3.581 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.894 1.752 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.694 3.014 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.978 2.924 0.321 1.00 0.00 H new ATOM 955 N SER A 62 2.528 6.340 -1.010 1.00 0.00 N ATOM 956 CA SER A 62 1.371 7.213 -0.896 1.00 0.00 C ATOM 957 C SER A 62 0.286 6.634 -1.788 1.00 0.00 C ATOM 958 O SER A 62 0.594 5.812 -2.654 1.00 0.00 O ATOM 959 CB SER A 62 1.701 8.662 -1.263 1.00 0.00 C ATOM 960 OG SER A 62 2.077 8.739 -2.620 1.00 0.00 O ATOM 0 H SER A 62 2.578 5.846 -1.901 1.00 0.00 H new ATOM 0 HA SER A 62 1.031 7.253 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.836 9.299 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.509 9.032 -0.631 1.00 0.00 H new ATOM 0 HG SER A 62 2.285 9.669 -2.849 1.00 0.00 H new ATOM 966 N PHE A 63 -0.967 7.048 -1.585 1.00 0.00 N ATOM 967 CA PHE A 63 -2.087 6.572 -2.386 1.00 0.00 C ATOM 968 C PHE A 63 -1.743 6.643 -3.875 1.00 0.00 C ATOM 969 O PHE A 63 -2.030 5.710 -4.620 1.00 0.00 O ATOM 970 CB PHE A 63 -3.372 7.312 -2.022 1.00 0.00 C ATOM 971 CG PHE A 63 -4.567 6.934 -2.875 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.321 5.798 -2.529 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.818 7.588 -4.096 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.430 5.426 -3.310 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.868 7.151 -4.925 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.742 6.146 -4.474 1.00 0.00 C ATOM 0 H PHE A 63 -1.229 7.720 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.273 5.522 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.609 7.115 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.199 8.384 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.048 5.212 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.205 8.425 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.042 4.586 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.002 7.586 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.648 5.929 -5.020 1.00 0.00 H new ATOM 986 N GLU A 64 -1.099 7.743 -4.277 1.00 0.00 N ATOM 987 CA GLU A 64 -0.636 8.019 -5.627 1.00 0.00 C ATOM 988 C GLU A 64 -0.016 6.775 -6.274 1.00 0.00 C ATOM 989 O GLU A 64 -0.497 6.258 -7.278 1.00 0.00 O ATOM 990 CB GLU A 64 0.414 9.147 -5.548 1.00 0.00 C ATOM 991 CG GLU A 64 0.690 9.747 -6.931 1.00 0.00 C ATOM 992 CD GLU A 64 1.784 10.806 -6.857 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.963 10.396 -6.800 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.420 12.002 -6.846 1.00 0.00 O ATOM 0 H GLU A 64 -0.878 8.500 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.483 8.318 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.062 9.928 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.340 8.756 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.989 8.958 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.223 10.189 -7.329 1.00 0.00 H new ATOM 1001 N GLU A 65 1.073 6.305 -5.670 1.00 0.00 N ATOM 1002 CA GLU A 65 1.857 5.170 -6.137 1.00 0.00 C ATOM 1003 C GLU A 65 1.083 3.893 -5.855 1.00 0.00 C ATOM 1004 O GLU A 65 1.097 2.953 -6.646 1.00 0.00 O ATOM 1005 CB GLU A 65 3.249 5.124 -5.473 1.00 0.00 C ATOM 1006 CG GLU A 65 3.556 6.360 -4.621 1.00 0.00 C ATOM 1007 CD GLU A 65 5.006 6.502 -4.179 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.898 6.138 -4.973 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.191 6.999 -3.049 1.00 0.00 O ATOM 0 H GLU A 65 1.444 6.719 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 65 2.024 5.274 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.316 4.234 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.010 5.027 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.277 7.249 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.924 6.335 -3.734 1.00 0.00 H new ATOM 1016 N PHE A 66 0.397 3.874 -4.712 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.407 2.733 -4.293 1.00 0.00 C ATOM 1018 C PHE A 66 -1.384 2.294 -5.390 1.00 0.00 C ATOM 1019 O PHE A 66 -1.759 1.128 -5.434 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.123 3.045 -2.978 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.783 1.857 -2.321 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.045 1.027 -1.457 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.139 1.584 -2.573 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.664 -0.077 -0.848 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.732 0.431 -2.027 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.002 -0.387 -1.147 1.00 0.00 C ATOM 0 H PHE A 66 0.385 4.652 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 66 0.260 1.889 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.403 3.475 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.880 3.807 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.004 1.239 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.723 2.257 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.112 -0.688 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.749 0.174 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.469 -1.253 -0.701 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.799 3.180 -6.303 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.678 2.763 -7.394 1.00 0.00 C ATOM 1038 C GLN A 67 -2.071 1.628 -8.228 1.00 0.00 C ATOM 1039 O GLN A 67 -2.804 0.819 -8.791 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.241 3.946 -8.195 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.842 5.013 -7.279 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.803 4.386 -6.282 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.934 4.047 -6.604 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.357 4.210 -5.052 1.00 0.00 N ATOM 0 H GLN A 67 -1.546 4.168 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.566 2.318 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.448 4.388 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.004 3.588 -8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.046 5.533 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.366 5.759 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.411 4.500 -4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.959 3.784 -4.347 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.740 1.518 -8.274 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.089 0.397 -8.942 1.00 0.00 C ATOM 1055 C VAL A 68 -0.529 -0.885 -8.218 1.00 0.00 C ATOM 1056 O VAL A 68 -0.819 -1.896 -8.851 1.00 0.00 O ATOM 1057 CB VAL A 68 1.439 0.582 -8.931 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.152 -0.626 -9.555 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.841 1.839 -9.714 1.00 0.00 C ATOM 0 H VAL A 68 -0.098 2.191 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.380 0.336 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 68 1.740 0.681 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.230 -0.464 -9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.908 -1.525 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.825 -0.748 -10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.925 1.950 -9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.506 1.747 -10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.378 2.715 -9.259 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.613 -0.836 -6.885 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.056 -1.942 -6.050 1.00 0.00 C ATOM 1071 C LEU A 69 -2.539 -2.187 -6.359 1.00 0.00 C ATOM 1072 O LEU A 69 -2.944 -3.322 -6.609 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.790 -1.594 -4.571 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.662 -2.774 -3.597 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.943 -3.599 -3.513 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.527 -3.683 -3.928 1.00 0.00 C ATOM 0 H LEU A 69 -0.367 -0.003 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.510 -2.863 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.128 -1.009 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.598 -0.951 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.481 -2.325 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.801 -4.421 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.761 -2.966 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.183 -4.000 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.571 -4.501 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.406 -4.089 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.451 -3.106 -3.879 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.347 -1.117 -6.371 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.773 -1.205 -6.697 1.00 0.00 C ATOM 1090 C VAL A 70 -4.966 -1.896 -8.050 1.00 0.00 C ATOM 1091 O VAL A 70 -5.930 -2.630 -8.233 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.481 0.161 -6.651 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.979 0.010 -6.947 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.332 0.795 -5.265 1.00 0.00 C ATOM 0 H VAL A 70 -3.030 -0.172 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.246 -1.812 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.017 0.795 -7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.458 0.988 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.112 -0.421 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.433 -0.645 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.838 1.760 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.777 0.140 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.275 0.937 -5.041 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.064 -1.688 -9.010 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.157 -2.408 -10.267 1.00 0.00 C ATOM 1106 C LYS A 71 -3.707 -3.857 -10.043 1.00 0.00 C ATOM 1107 O LYS A 71 -4.395 -4.793 -10.441 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.321 -1.720 -11.358 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.265 -2.521 -12.672 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.654 -2.827 -13.259 1.00 0.00 C ATOM 1111 CE LYS A 71 -4.567 -3.649 -14.551 1.00 0.00 C ATOM 1112 NZ LYS A 71 -4.099 -5.026 -14.299 1.00 0.00 N ATOM 0 H LYS A 71 -3.279 -1.040 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.190 -2.407 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.738 -0.733 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.307 -1.568 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.684 -1.962 -13.405 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.738 -3.459 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.246 -3.371 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.176 -1.892 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.547 -3.680 -15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.889 -3.157 -15.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.119 -5.567 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.127 -5.000 -13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.721 -5.482 -13.602 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.542 -4.050 -9.418 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.925 -5.358 -9.224 1.00 0.00 C ATOM 1128 C LYS A 72 -2.738 -6.374 -8.445 1.00 0.00 C ATOM 1129 O LYS A 72 -2.572 -7.574 -8.662 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.455 -5.236 -8.829 1.00 0.00 C ATOM 1131 CG LYS A 72 0.326 -6.487 -8.388 1.00 0.00 C ATOM 1132 CD LYS A 72 0.099 -6.861 -6.919 1.00 0.00 C ATOM 1133 CE LYS A 72 1.193 -7.800 -6.394 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.187 -9.097 -7.095 1.00 0.00 N ATOM 0 H LYS A 72 -1.994 -3.284 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.931 -5.829 -10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.075 -4.805 -9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.396 -4.513 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.036 -7.328 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.390 -6.318 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.076 -5.955 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.874 -7.341 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.167 -7.326 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.049 -7.964 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.929 -9.709 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.261 -9.554 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.367 -8.945 -8.108 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.650 -5.933 -7.586 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.556 -6.886 -6.933 1.00 0.00 C ATOM 1150 C ILE A 73 -5.319 -7.655 -8.033 1.00 0.00 C ATOM 1151 O ILE A 73 -5.701 -8.806 -7.839 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.554 -6.207 -5.980 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.163 -4.968 -6.632 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.928 -5.808 -4.636 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.608 -4.743 -6.208 1.00 0.00 C ATOM 0 H ILE A 73 -3.785 -4.956 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.957 -7.561 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.328 -6.948 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.569 -4.093 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.117 -5.071 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.683 -5.334 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.546 -6.697 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.110 -5.109 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.996 -3.850 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.210 -5.605 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.654 -4.612 -5.127 1.00 0.00 H new ATOM 1167 N SER A 74 -5.502 -7.027 -9.200 1.00 0.00 N ATOM 1168 CA SER A 74 -6.116 -7.579 -10.393 1.00 0.00 C ATOM 1169 C SER A 74 -5.114 -7.490 -11.552 1.00 0.00 C ATOM 1170 O SER A 74 -5.497 -7.238 -12.692 1.00 0.00 O ATOM 1171 CB SER A 74 -7.407 -6.809 -10.690 1.00 0.00 C ATOM 1172 OG SER A 74 -8.228 -6.794 -9.536 1.00 0.00 O ATOM 0 H SER A 74 -5.204 -6.061 -9.335 1.00 0.00 H new ATOM 0 HA SER A 74 -6.376 -8.628 -10.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.172 -5.789 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.938 -7.275 -11.520 1.00 0.00 H new ATOM 0 HG SER A 74 -9.052 -6.300 -9.727 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.823 -7.696 -11.261 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.739 -7.686 -12.243 1.00 0.00 C ATOM 1180 C GLN A 75 -3.096 -8.513 -13.483 1.00 0.00 C ATOM 1181 O GLN A 75 -2.799 -8.100 -14.602 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.385 -8.130 -11.640 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.290 -9.527 -10.986 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.610 -10.252 -10.729 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -3.088 -11.001 -11.569 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.233 -10.037 -9.581 1.00 0.00 N ATOM 0 H GLN A 75 -3.499 -7.879 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.616 -6.649 -12.556 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.638 -8.084 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.099 -7.393 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.672 -10.160 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.767 -9.423 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.824 -9.410 -8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.122 -10.498 -9.389 1.00 0.00 H new TER 1195 GLN A 75