USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 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 41 THR OG1 : rot -80:sc= -1.26 USER MOD Set 1.2: A 48 GLN : amide:sc= -6.66! C(o=-14!,f=-28!) USER MOD Set 1.3: A 75 MET CE :methyl 157:sc= -5.9! (180deg=-6.68!) USER MOD Set 2.1: A 67 MET CE :methyl -173:sc= 0 (180deg=-0.117) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -116:sc= -0.611 (180deg=-1.82) USER MOD Set 2.3: A 71 MET CE :methyl -167:sc= -0.343 (180deg=-0.796) USER MOD Set 3.1: A 51 MET CE :methyl -109:sc= -1.55 (180deg=-4.76!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.45 K(o=-1.4,f=-5.4!) USER MOD Single : A 26 THR OG1 : rot 160:sc= 0.0303 USER MOD Single : A 31 MET CE :methyl 147:sc= -0.257 (180deg=-1.04) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 1.41 (180deg=1.25) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.307 F(o=-3,f=-0.31) USER MOD Single : A 44 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.81) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.112 (180deg=-0.393) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.333 F(o=-2,f=-0.33) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 172:sc= 0 (180deg=-0.0471) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.767 3.789 -13.963 1.00 0.00 N ATOM 60 CA GLY A 7 -5.361 4.148 -12.615 1.00 0.00 C ATOM 61 C GLY A 7 -6.569 4.221 -11.679 1.00 0.00 C ATOM 62 O GLY A 7 -7.440 5.073 -11.850 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.649 3.414 -12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.849 5.110 -12.630 1.00 0.00 H new ATOM 66 N TYR A 8 -6.583 3.317 -10.711 1.00 0.00 N ATOM 67 CA TYR A 8 -7.670 3.268 -9.748 1.00 0.00 C ATOM 68 C TYR A 8 -7.302 4.018 -8.467 1.00 0.00 C ATOM 69 O TYR A 8 -6.135 4.338 -8.244 1.00 0.00 O ATOM 70 CB TYR A 8 -7.876 1.789 -9.419 1.00 0.00 C ATOM 71 CG TYR A 8 -8.558 0.992 -10.533 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.797 0.383 -11.510 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.933 0.882 -10.560 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.439 -0.367 -12.559 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.575 0.132 -11.608 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.796 -0.456 -12.556 1.00 0.00 C ATOM 77 OH TYR A 8 -10.402 -1.164 -13.546 1.00 0.00 O ATOM 0 H TYR A 8 -5.859 2.612 -10.573 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.567 3.733 -10.158 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.908 1.337 -9.204 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.474 1.709 -8.511 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.721 0.469 -11.488 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.528 1.359 -9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.856 -0.848 -13.330 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.650 0.038 -11.641 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.373 -1.143 -13.416 1.00 0.00 H new ATOM 87 N SER A 9 -8.318 4.275 -7.656 1.00 0.00 N ATOM 88 CA SER A 9 -8.115 4.981 -6.402 1.00 0.00 C ATOM 89 C SER A 9 -8.640 4.139 -5.238 1.00 0.00 C ATOM 90 O SER A 9 -9.814 3.774 -5.211 1.00 0.00 O ATOM 91 CB SER A 9 -8.803 6.348 -6.422 1.00 0.00 C ATOM 92 OG SER A 9 -8.987 6.834 -7.749 1.00 0.00 O ATOM 0 H SER A 9 -9.284 4.007 -7.843 1.00 0.00 H new ATOM 0 HA SER A 9 -7.046 5.145 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.771 6.274 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.207 7.062 -5.854 1.00 0.00 H new ATOM 0 HG SER A 9 -9.430 7.707 -7.719 1.00 0.00 H new ATOM 98 N VAL A 10 -7.744 3.856 -4.303 1.00 0.00 N ATOM 99 CA VAL A 10 -8.103 3.065 -3.139 1.00 0.00 C ATOM 100 C VAL A 10 -7.651 3.795 -1.872 1.00 0.00 C ATOM 101 O VAL A 10 -6.990 4.829 -1.950 1.00 0.00 O ATOM 102 CB VAL A 10 -7.513 1.658 -3.260 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.033 0.952 -4.514 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.983 1.702 -3.251 1.00 0.00 C ATOM 0 H VAL A 10 -6.771 4.161 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.185 2.946 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.837 1.083 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.599 -0.046 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.119 0.872 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.752 1.526 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.589 0.689 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.631 2.302 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.637 2.147 -2.318 1.00 0.00 H new ATOM 114 N THR A 11 -8.026 3.228 -0.735 1.00 0.00 N ATOM 115 CA THR A 11 -7.668 3.812 0.546 1.00 0.00 C ATOM 116 C THR A 11 -6.789 2.847 1.345 1.00 0.00 C ATOM 117 O THR A 11 -7.181 1.710 1.599 1.00 0.00 O ATOM 118 CB THR A 11 -8.961 4.196 1.269 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.231 5.520 0.816 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.764 4.351 2.778 1.00 0.00 C ATOM 0 H THR A 11 -8.574 2.370 -0.674 1.00 0.00 H new ATOM 0 HA THR A 11 -7.071 4.715 0.416 1.00 0.00 H new ATOM 0 HB THR A 11 -9.722 3.439 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.055 5.847 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.712 4.624 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.412 3.409 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.028 5.131 2.971 1.00 0.00 H new ATOM 128 N VAL A 12 -5.616 3.338 1.719 1.00 0.00 N ATOM 129 CA VAL A 12 -4.679 2.534 2.484 1.00 0.00 C ATOM 130 C VAL A 12 -4.946 2.729 3.978 1.00 0.00 C ATOM 131 O VAL A 12 -4.961 3.857 4.467 1.00 0.00 O ATOM 132 CB VAL A 12 -3.243 2.881 2.083 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.250 2.424 3.153 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.895 2.282 0.719 1.00 0.00 C ATOM 0 H VAL A 12 -5.294 4.282 1.506 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.817 1.475 2.265 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.170 3.965 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.237 2.682 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.479 2.919 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.326 1.344 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.870 2.543 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.993 1.197 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.574 2.678 -0.036 1.00 0.00 H new ATOM 144 N LYS A 13 -5.150 1.612 4.661 1.00 0.00 N ATOM 145 CA LYS A 13 -5.416 1.646 6.089 1.00 0.00 C ATOM 146 C LYS A 13 -4.294 0.916 6.830 1.00 0.00 C ATOM 147 O LYS A 13 -4.133 -0.294 6.683 1.00 0.00 O ATOM 148 CB LYS A 13 -6.811 1.093 6.387 1.00 0.00 C ATOM 149 CG LYS A 13 -7.671 2.133 7.107 1.00 0.00 C ATOM 150 CD LYS A 13 -8.626 1.465 8.099 1.00 0.00 C ATOM 151 CE LYS A 13 -9.952 1.106 7.426 1.00 0.00 C ATOM 152 NZ LYS A 13 -11.069 1.215 8.391 1.00 0.00 N ATOM 0 H LYS A 13 -5.136 0.678 4.252 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.421 2.674 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.295 0.797 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.727 0.197 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.029 2.839 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.242 2.706 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.164 0.565 8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.810 2.134 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.129 1.770 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.903 0.091 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.962 0.968 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.906 0.564 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.125 2.190 8.749 1.00 0.00 H new ATOM 166 N TRP A 14 -3.546 1.684 7.609 1.00 0.00 N ATOM 167 CA TRP A 14 -2.444 1.126 8.373 1.00 0.00 C ATOM 168 C TRP A 14 -2.599 1.578 9.826 1.00 0.00 C ATOM 169 O TRP A 14 -2.427 2.756 10.135 1.00 0.00 O ATOM 170 CB TRP A 14 -1.098 1.523 7.764 1.00 0.00 C ATOM 171 CG TRP A 14 0.093 0.737 8.318 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.236 -0.592 8.402 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.308 1.291 8.864 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.450 -0.935 8.961 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.123 0.246 9.251 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.706 2.629 9.026 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.387 0.432 9.825 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.972 2.798 9.601 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.804 1.757 9.996 1.00 0.00 C ATOM 0 H TRP A 14 -3.682 2.688 7.727 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.467 0.037 8.343 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.143 1.381 6.684 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.931 2.586 7.939 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.505 -1.305 8.074 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.791 -1.881 9.130 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.085 3.461 8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.006 -0.402 10.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.326 3.808 9.748 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.768 1.970 10.433 1.00 0.00 H new ATOM 190 N GLY A 15 -2.922 0.618 10.680 1.00 0.00 N ATOM 191 CA GLY A 15 -3.102 0.903 12.094 1.00 0.00 C ATOM 192 C GLY A 15 -2.084 1.937 12.579 1.00 0.00 C ATOM 193 O GLY A 15 -0.895 1.830 12.281 1.00 0.00 O ATOM 0 H GLY A 15 -3.064 -0.358 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.112 1.273 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.995 -0.016 12.670 1.00 0.00 H new ATOM 197 N LYS A 16 -2.588 2.915 13.317 1.00 0.00 N ATOM 198 CA LYS A 16 -1.737 3.968 13.846 1.00 0.00 C ATOM 199 C LYS A 16 -1.685 5.125 12.847 1.00 0.00 C ATOM 200 O LYS A 16 -1.431 6.267 13.227 1.00 0.00 O ATOM 201 CB LYS A 16 -0.361 3.410 14.214 1.00 0.00 C ATOM 202 CG LYS A 16 0.185 4.084 15.474 1.00 0.00 C ATOM 203 CD LYS A 16 1.686 3.828 15.627 1.00 0.00 C ATOM 204 CE LYS A 16 1.962 2.864 16.783 1.00 0.00 C ATOM 205 NZ LYS A 16 1.570 1.485 16.413 1.00 0.00 N ATOM 0 H LYS A 16 -3.575 3.001 13.561 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.152 4.365 14.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.432 2.334 14.374 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.331 3.564 13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.001 5.157 15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.343 3.707 16.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.084 3.414 14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.203 4.771 15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.021 2.890 17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.410 3.180 17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.764 0.844 17.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.555 1.461 16.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.116 1.180 15.582 1.00 0.00 H new ATOM 219 N GLU A 17 -1.928 4.790 11.588 1.00 0.00 N ATOM 220 CA GLU A 17 -1.912 5.788 10.532 1.00 0.00 C ATOM 221 C GLU A 17 -3.168 5.665 9.667 1.00 0.00 C ATOM 222 O GLU A 17 -3.907 4.688 9.774 1.00 0.00 O ATOM 223 CB GLU A 17 -0.646 5.665 9.682 1.00 0.00 C ATOM 224 CG GLU A 17 0.604 5.617 10.563 1.00 0.00 C ATOM 225 CD GLU A 17 1.276 6.990 10.636 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.652 7.896 11.228 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.399 7.101 10.098 1.00 0.00 O ATOM 0 H GLU A 17 -2.137 3.842 11.276 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.907 6.776 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.700 4.764 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.580 6.510 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.334 5.286 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.306 4.885 10.164 1.00 0.00 H new ATOM 234 N LYS A 18 -3.370 6.671 8.828 1.00 0.00 N ATOM 235 CA LYS A 18 -4.524 6.688 7.944 1.00 0.00 C ATOM 236 C LYS A 18 -4.123 7.301 6.601 1.00 0.00 C ATOM 237 O LYS A 18 -3.457 8.334 6.560 1.00 0.00 O ATOM 238 CB LYS A 18 -5.703 7.395 8.616 1.00 0.00 C ATOM 239 CG LYS A 18 -6.755 7.806 7.584 1.00 0.00 C ATOM 240 CD LYS A 18 -8.071 8.188 8.266 1.00 0.00 C ATOM 241 CE LYS A 18 -8.651 7.003 9.040 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.059 7.266 9.413 1.00 0.00 N ATOM 0 H LYS A 18 -2.754 7.480 8.742 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.865 5.672 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.154 6.735 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.347 8.277 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.386 8.649 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.927 6.985 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.904 9.024 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.788 8.524 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.592 6.100 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.059 6.822 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.437 6.452 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.107 8.116 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.624 7.416 8.553 1.00 0.00 H new ATOM 256 N PHE A 19 -4.546 6.638 5.535 1.00 0.00 N ATOM 257 CA PHE A 19 -4.240 7.104 4.193 1.00 0.00 C ATOM 258 C PHE A 19 -5.458 6.977 3.277 1.00 0.00 C ATOM 259 O PHE A 19 -5.875 5.869 2.943 1.00 0.00 O ATOM 260 CB PHE A 19 -3.117 6.215 3.656 1.00 0.00 C ATOM 261 CG PHE A 19 -1.882 6.159 4.558 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.993 7.188 4.559 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.674 5.080 5.359 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.153 7.136 5.396 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.528 5.028 6.196 1.00 0.00 C ATOM 266 CZ PHE A 19 0.361 6.057 6.197 1.00 0.00 C ATOM 0 H PHE A 19 -5.098 5.781 5.573 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.949 8.154 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.501 5.204 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.819 6.578 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.159 8.045 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.380 4.263 5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.859 7.953 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.362 4.171 6.832 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.232 6.017 6.834 1.00 0.00 H new ATOM 276 N GLU A 20 -5.995 8.126 2.896 1.00 0.00 N ATOM 277 CA GLU A 20 -7.158 8.157 2.024 1.00 0.00 C ATOM 278 C GLU A 20 -6.847 8.948 0.752 1.00 0.00 C ATOM 279 O GLU A 20 -6.451 10.111 0.821 1.00 0.00 O ATOM 280 CB GLU A 20 -8.372 8.741 2.750 1.00 0.00 C ATOM 281 CG GLU A 20 -8.661 7.972 4.041 1.00 0.00 C ATOM 282 CD GLU A 20 -9.992 8.411 4.654 1.00 0.00 C ATOM 283 OE1 GLU A 20 -11.035 8.045 4.069 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.938 9.103 5.693 1.00 0.00 O ATOM 0 H GLU A 20 -5.647 9.043 3.175 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.403 7.133 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.192 9.791 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.244 8.703 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.687 6.902 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.855 8.138 4.756 1.00 0.00 H new ATOM 291 N GLY A 21 -7.036 8.286 -0.380 1.00 0.00 N ATOM 292 CA GLY A 21 -6.781 8.912 -1.665 1.00 0.00 C ATOM 293 C GLY A 21 -5.359 8.617 -2.146 1.00 0.00 C ATOM 294 O GLY A 21 -4.537 9.526 -2.260 1.00 0.00 O ATOM 0 H GLY A 21 -7.363 7.321 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.500 8.549 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.925 9.989 -1.584 1.00 0.00 H new ATOM 298 N VAL A 22 -5.111 7.344 -2.415 1.00 0.00 N ATOM 299 CA VAL A 22 -3.803 6.918 -2.881 1.00 0.00 C ATOM 300 C VAL A 22 -3.879 6.589 -4.373 1.00 0.00 C ATOM 301 O VAL A 22 -4.939 6.221 -4.877 1.00 0.00 O ATOM 302 CB VAL A 22 -3.302 5.745 -2.035 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.919 5.285 -2.500 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.289 6.107 -0.549 1.00 0.00 C ATOM 0 H VAL A 22 -5.795 6.593 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.076 7.721 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.994 4.914 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.586 4.451 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.972 4.967 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.212 6.109 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.929 5.256 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.630 6.960 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.299 6.363 -0.228 1.00 0.00 H new ATOM 314 N GLU A 23 -2.742 6.735 -5.037 1.00 0.00 N ATOM 315 CA GLU A 23 -2.667 6.458 -6.462 1.00 0.00 C ATOM 316 C GLU A 23 -2.291 4.994 -6.699 1.00 0.00 C ATOM 317 O GLU A 23 -1.251 4.533 -6.232 1.00 0.00 O ATOM 318 CB GLU A 23 -1.676 7.398 -7.151 1.00 0.00 C ATOM 319 CG GLU A 23 -2.194 8.837 -7.151 1.00 0.00 C ATOM 320 CD GLU A 23 -1.449 9.688 -8.182 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.058 9.110 -9.219 1.00 0.00 O ATOM 322 OE2 GLU A 23 -1.289 10.898 -7.910 1.00 0.00 O ATOM 0 H GLU A 23 -1.865 7.041 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.649 6.635 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.713 7.354 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.509 7.068 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.261 8.843 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.072 9.271 -6.159 1.00 0.00 H new ATOM 329 N LEU A 24 -3.158 4.304 -7.425 1.00 0.00 N ATOM 330 CA LEU A 24 -2.930 2.902 -7.730 1.00 0.00 C ATOM 331 C LEU A 24 -3.206 2.655 -9.215 1.00 0.00 C ATOM 332 O LEU A 24 -4.142 3.222 -9.778 1.00 0.00 O ATOM 333 CB LEU A 24 -3.749 2.010 -6.795 1.00 0.00 C ATOM 334 CG LEU A 24 -4.122 0.630 -7.341 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.197 -0.451 -6.777 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.596 0.316 -7.079 1.00 0.00 C ATOM 0 H LEU A 24 -4.020 4.690 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.887 2.638 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.187 1.874 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.667 2.536 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.983 0.642 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.484 -1.422 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.167 -0.231 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.281 -0.471 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.834 -0.670 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.786 0.330 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.220 1.065 -7.567 1.00 0.00 H new ATOM 348 N ASN A 25 -2.376 1.809 -9.806 1.00 0.00 N ATOM 349 CA ASN A 25 -2.520 1.481 -11.214 1.00 0.00 C ATOM 350 C ASN A 25 -2.534 -0.040 -11.380 1.00 0.00 C ATOM 351 O ASN A 25 -1.875 -0.756 -10.628 1.00 0.00 O ATOM 352 CB ASN A 25 -1.350 2.034 -12.031 1.00 0.00 C ATOM 353 CG ASN A 25 -1.780 2.339 -13.468 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.947 2.530 -13.766 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.774 2.372 -14.337 1.00 0.00 N ATOM 0 H ASN A 25 -1.601 1.341 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.450 1.924 -11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.970 2.941 -11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.533 1.312 -12.037 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.957 2.567 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.180 2.203 -14.019 1.00 0.00 H new ATOM 362 N THR A 26 -3.292 -0.488 -12.370 1.00 0.00 N ATOM 363 CA THR A 26 -3.401 -1.911 -12.644 1.00 0.00 C ATOM 364 C THR A 26 -2.573 -2.282 -13.876 1.00 0.00 C ATOM 365 O THR A 26 -2.169 -3.432 -14.033 1.00 0.00 O ATOM 366 CB THR A 26 -4.886 -2.253 -12.785 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.363 -1.332 -13.762 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.687 -1.911 -11.527 1.00 0.00 C ATOM 0 H THR A 26 -3.837 0.109 -12.992 1.00 0.00 H new ATOM 0 HA THR A 26 -2.992 -2.504 -11.826 1.00 0.00 H new ATOM 0 HB THR A 26 -4.995 -3.315 -13.007 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.198 -1.669 -14.149 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.734 -2.173 -11.680 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.292 -2.473 -10.680 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.606 -0.843 -11.323 1.00 0.00 H new ATOM 376 N ASP A 27 -2.346 -1.284 -14.718 1.00 0.00 N ATOM 377 CA ASP A 27 -1.573 -1.491 -15.932 1.00 0.00 C ATOM 378 C ASP A 27 -0.212 -2.090 -15.569 1.00 0.00 C ATOM 379 O ASP A 27 0.410 -2.765 -16.386 1.00 0.00 O ATOM 380 CB ASP A 27 -1.328 -0.169 -16.661 1.00 0.00 C ATOM 381 CG ASP A 27 -0.841 -0.307 -18.104 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.348 -1.407 -18.434 1.00 0.00 O ATOM 383 OD2 ASP A 27 -0.972 0.691 -18.846 1.00 0.00 O ATOM 0 H ASP A 27 -2.683 -0.331 -14.584 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.137 -2.161 -16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.254 0.406 -16.659 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.593 0.408 -16.099 1.00 0.00 H new ATOM 388 N GLU A 28 0.209 -1.820 -14.342 1.00 0.00 N ATOM 389 CA GLU A 28 1.484 -2.324 -13.861 1.00 0.00 C ATOM 390 C GLU A 28 1.262 -3.434 -12.832 1.00 0.00 C ATOM 391 O GLU A 28 0.123 -3.788 -12.531 1.00 0.00 O ATOM 392 CB GLU A 28 2.334 -1.195 -13.275 1.00 0.00 C ATOM 393 CG GLU A 28 1.747 0.173 -13.629 1.00 0.00 C ATOM 394 CD GLU A 28 1.637 0.347 -15.145 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.931 -0.641 -15.852 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.262 1.464 -15.562 1.00 0.00 O ATOM 0 H GLU A 28 -0.310 -1.259 -13.667 1.00 0.00 H new ATOM 0 HA GLU A 28 2.029 -2.743 -14.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.390 -1.302 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.353 -1.267 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.762 0.278 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.375 0.961 -13.214 1.00 0.00 H new ATOM 403 N PRO A 29 2.398 -3.967 -12.307 1.00 0.00 N ATOM 404 CA PRO A 29 2.339 -5.029 -11.318 1.00 0.00 C ATOM 405 C PRO A 29 1.922 -4.484 -9.951 1.00 0.00 C ATOM 406 O PRO A 29 1.922 -3.273 -9.735 1.00 0.00 O ATOM 407 CB PRO A 29 3.730 -5.641 -11.314 1.00 0.00 C ATOM 408 CG PRO A 29 4.642 -4.608 -11.955 1.00 0.00 C ATOM 409 CD PRO A 29 3.764 -3.573 -12.640 1.00 0.00 C ATOM 0 HA PRO A 29 1.587 -5.782 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.053 -5.870 -10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.747 -6.577 -11.873 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.273 -4.136 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.308 -5.082 -12.676 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.984 -2.567 -12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.923 -3.570 -13.718 1.00 0.00 H new ATOM 417 N PRO A 30 1.567 -5.428 -9.038 1.00 0.00 N ATOM 418 CA PRO A 30 1.149 -5.054 -7.698 1.00 0.00 C ATOM 419 C PRO A 30 2.348 -4.633 -6.847 1.00 0.00 C ATOM 420 O PRO A 30 2.181 -4.049 -5.777 1.00 0.00 O ATOM 421 CB PRO A 30 0.435 -6.280 -7.153 1.00 0.00 C ATOM 422 CG PRO A 30 0.882 -7.444 -8.021 1.00 0.00 C ATOM 423 CD PRO A 30 1.555 -6.871 -9.258 1.00 0.00 C ATOM 0 HA PRO A 30 0.488 -4.187 -7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.694 -6.450 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.647 -6.153 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.572 -8.086 -7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.028 -8.061 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.566 -7.262 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.006 -7.129 -10.163 1.00 0.00 H new ATOM 431 N MET A 31 3.532 -4.945 -7.354 1.00 0.00 N ATOM 432 CA MET A 31 4.759 -4.607 -6.653 1.00 0.00 C ATOM 433 C MET A 31 4.890 -3.092 -6.478 1.00 0.00 C ATOM 434 O MET A 31 5.397 -2.623 -5.460 1.00 0.00 O ATOM 435 CB MET A 31 5.959 -5.135 -7.441 1.00 0.00 C ATOM 436 CG MET A 31 5.828 -6.638 -7.698 1.00 0.00 C ATOM 437 SD MET A 31 7.426 -7.421 -7.568 1.00 0.00 S ATOM 438 CE MET A 31 7.749 -7.180 -5.829 1.00 0.00 C ATOM 0 H MET A 31 3.667 -5.428 -8.242 1.00 0.00 H new ATOM 0 HA MET A 31 4.730 -5.068 -5.665 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.037 -4.605 -8.391 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.877 -4.936 -6.889 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.138 -7.079 -6.979 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.409 -6.811 -8.689 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.322 -8.024 -5.445 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.318 -6.261 -5.689 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.804 -7.108 -5.290 1.00 0.00 H new ATOM 448 N VAL A 32 4.424 -2.369 -7.486 1.00 0.00 N ATOM 449 CA VAL A 32 4.483 -0.918 -7.456 1.00 0.00 C ATOM 450 C VAL A 32 3.663 -0.403 -6.270 1.00 0.00 C ATOM 451 O VAL A 32 4.209 0.209 -5.354 1.00 0.00 O ATOM 452 CB VAL A 32 4.017 -0.347 -8.797 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.082 1.181 -8.794 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.834 -0.929 -9.953 1.00 0.00 C ATOM 0 H VAL A 32 4.004 -2.761 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 32 5.510 -0.581 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 32 2.976 -0.637 -8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.746 1.561 -9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.438 1.571 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.109 1.501 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.483 -0.507 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.887 -0.683 -9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.715 -2.012 -9.974 1.00 0.00 H new ATOM 464 N PHE A 33 2.367 -0.671 -6.328 1.00 0.00 N ATOM 465 CA PHE A 33 1.467 -0.242 -5.271 1.00 0.00 C ATOM 466 C PHE A 33 2.058 -0.543 -3.892 1.00 0.00 C ATOM 467 O PHE A 33 1.857 0.218 -2.947 1.00 0.00 O ATOM 468 CB PHE A 33 0.169 -1.034 -5.439 1.00 0.00 C ATOM 469 CG PHE A 33 -0.924 -0.660 -4.436 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.549 0.544 -4.530 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.269 -1.531 -3.451 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.563 0.892 -3.599 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.284 -1.183 -2.520 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.909 0.021 -2.613 1.00 0.00 C ATOM 0 H PHE A 33 1.919 -1.180 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 33 1.300 0.833 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.211 -0.879 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.389 -2.097 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.274 1.235 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.772 -2.487 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.060 1.848 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.559 -1.875 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.680 0.286 -1.904 1.00 0.00 H new ATOM 484 N LYS A 34 2.776 -1.654 -3.821 1.00 0.00 N ATOM 485 CA LYS A 34 3.398 -2.064 -2.573 1.00 0.00 C ATOM 486 C LYS A 34 4.665 -1.237 -2.343 1.00 0.00 C ATOM 487 O LYS A 34 4.998 -0.908 -1.206 1.00 0.00 O ATOM 488 CB LYS A 34 3.641 -3.575 -2.567 1.00 0.00 C ATOM 489 CG LYS A 34 2.319 -4.343 -2.527 1.00 0.00 C ATOM 490 CD LYS A 34 2.536 -5.785 -2.065 1.00 0.00 C ATOM 491 CE LYS A 34 1.287 -6.634 -2.311 1.00 0.00 C ATOM 492 NZ LYS A 34 1.431 -7.964 -1.678 1.00 0.00 N ATOM 0 H LYS A 34 2.941 -2.283 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 34 2.732 -1.867 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.204 -3.860 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.249 -3.846 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.624 -3.842 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.862 -4.339 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.384 -6.217 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.785 -5.797 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.410 -6.126 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.125 -6.750 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.555 -8.508 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.225 -8.473 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.614 -7.846 -0.661 1.00 0.00 H new ATOM 506 N ALA A 35 5.336 -0.924 -3.442 1.00 0.00 N ATOM 507 CA ALA A 35 6.559 -0.141 -3.374 1.00 0.00 C ATOM 508 C ALA A 35 6.226 1.277 -2.907 1.00 0.00 C ATOM 509 O ALA A 35 7.053 1.939 -2.282 1.00 0.00 O ATOM 510 CB ALA A 35 7.252 -0.158 -4.738 1.00 0.00 C ATOM 0 H ALA A 35 5.056 -1.198 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 35 7.251 -0.572 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.169 0.429 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.493 -1.185 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.588 0.270 -5.489 1.00 0.00 H new ATOM 516 N GLN A 36 5.012 1.702 -3.228 1.00 0.00 N ATOM 517 CA GLN A 36 4.560 3.030 -2.849 1.00 0.00 C ATOM 518 C GLN A 36 4.175 3.057 -1.369 1.00 0.00 C ATOM 519 O GLN A 36 4.552 3.975 -0.642 1.00 0.00 O ATOM 520 CB GLN A 36 3.392 3.483 -3.728 1.00 0.00 C ATOM 521 CG GLN A 36 2.792 4.792 -3.211 1.00 0.00 C ATOM 522 CD GLN A 36 1.353 4.967 -3.701 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.558 3.939 -3.419 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 0.990 5.969 -4.294 1.00 0.00 N flip ATOM 0 H GLN A 36 4.328 1.150 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 36 5.381 3.730 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.735 3.616 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.625 2.709 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.812 4.800 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.399 5.632 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.654 6.722 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.023 6.054 -4.606 1.00 0.00 H new ATOM 533 N LEU A 37 3.428 2.039 -0.966 1.00 0.00 N ATOM 534 CA LEU A 37 2.988 1.935 0.415 1.00 0.00 C ATOM 535 C LEU A 37 4.187 2.134 1.344 1.00 0.00 C ATOM 536 O LEU A 37 4.037 2.636 2.457 1.00 0.00 O ATOM 537 CB LEU A 37 2.245 0.617 0.642 1.00 0.00 C ATOM 538 CG LEU A 37 0.890 0.481 -0.054 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.110 -0.263 0.833 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.361 1.848 -0.494 1.00 0.00 C ATOM 0 H LEU A 37 3.117 1.279 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 37 2.271 2.722 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.885 -0.200 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.095 0.488 1.714 1.00 0.00 H new ATOM 0 HG LEU A 37 1.027 -0.117 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.065 -0.346 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.271 -1.260 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.249 0.286 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.604 1.724 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.243 2.491 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.066 2.305 -1.188 1.00 0.00 H new ATOM 552 N PHE A 38 5.349 1.730 0.853 1.00 0.00 N ATOM 553 CA PHE A 38 6.573 1.857 1.626 1.00 0.00 C ATOM 554 C PHE A 38 6.793 3.305 2.069 1.00 0.00 C ATOM 555 O PHE A 38 7.079 3.564 3.237 1.00 0.00 O ATOM 556 CB PHE A 38 7.725 1.435 0.713 1.00 0.00 C ATOM 557 CG PHE A 38 9.031 1.142 1.453 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.591 2.094 2.247 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.633 -0.070 1.318 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.803 1.823 2.934 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.846 -0.341 2.005 1.00 0.00 C ATOM 562 CZ PHE A 38 11.405 0.611 2.799 1.00 0.00 C ATOM 0 H PHE A 38 5.469 1.314 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 38 6.515 1.236 2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.427 0.546 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.903 2.224 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 38 9.113 3.057 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.189 -0.826 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 38 11.247 2.579 3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.325 -1.303 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.327 0.405 3.322 1.00 0.00 H new ATOM 572 N ALA A 39 6.653 4.211 1.112 1.00 0.00 N ATOM 573 CA ALA A 39 6.833 5.626 1.389 1.00 0.00 C ATOM 574 C ALA A 39 5.589 6.165 2.097 1.00 0.00 C ATOM 575 O ALA A 39 5.560 7.322 2.514 1.00 0.00 O ATOM 576 CB ALA A 39 7.129 6.368 0.084 1.00 0.00 C ATOM 0 H ALA A 39 6.417 3.992 0.144 1.00 0.00 H new ATOM 0 HA ALA A 39 7.683 5.782 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.264 7.429 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.038 5.967 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.296 6.236 -0.606 1.00 0.00 H new ATOM 582 N LEU A 40 4.591 5.301 2.211 1.00 0.00 N ATOM 583 CA LEU A 40 3.347 5.676 2.862 1.00 0.00 C ATOM 584 C LEU A 40 3.447 5.372 4.358 1.00 0.00 C ATOM 585 O LEU A 40 2.971 6.147 5.186 1.00 0.00 O ATOM 586 CB LEU A 40 2.158 5.001 2.175 1.00 0.00 C ATOM 587 CG LEU A 40 1.921 5.387 0.713 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.470 5.123 0.306 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.334 6.837 0.455 1.00 0.00 C ATOM 0 H LEU A 40 4.618 4.342 1.864 1.00 0.00 H new ATOM 0 HA LEU A 40 3.175 6.748 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.299 3.921 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.256 5.233 2.742 1.00 0.00 H new ATOM 0 HG LEU A 40 2.552 4.757 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.328 5.406 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.245 4.064 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.197 5.711 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.155 7.086 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.748 7.501 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.393 6.959 0.681 1.00 0.00 H new ATOM 601 N THR A 41 4.069 4.241 4.659 1.00 0.00 N ATOM 602 CA THR A 41 4.238 3.825 6.040 1.00 0.00 C ATOM 603 C THR A 41 5.719 3.605 6.354 1.00 0.00 C ATOM 604 O THR A 41 6.230 4.120 7.348 1.00 0.00 O ATOM 605 CB THR A 41 3.377 2.580 6.267 1.00 0.00 C ATOM 606 OG1 THR A 41 3.962 1.594 5.421 1.00 0.00 O ATOM 607 CG2 THR A 41 1.957 2.743 5.722 1.00 0.00 C ATOM 0 H THR A 41 4.462 3.600 3.969 1.00 0.00 H new ATOM 0 HA THR A 41 3.904 4.600 6.730 1.00 0.00 H new ATOM 0 HB THR A 41 3.334 2.359 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.656 1.730 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.389 1.832 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.471 3.582 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.998 2.931 4.649 1.00 0.00 H new ATOM 615 N GLY A 42 6.367 2.839 5.489 1.00 0.00 N ATOM 616 CA GLY A 42 7.779 2.544 5.661 1.00 0.00 C ATOM 617 C GLY A 42 8.021 1.034 5.722 1.00 0.00 C ATOM 618 O GLY A 42 9.120 0.591 6.050 1.00 0.00 O ATOM 0 H GLY A 42 5.940 2.413 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.347 2.974 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.143 3.011 6.576 1.00 0.00 H new ATOM 622 N VAL A 43 6.975 0.287 5.402 1.00 0.00 N ATOM 623 CA VAL A 43 7.060 -1.164 5.416 1.00 0.00 C ATOM 624 C VAL A 43 7.405 -1.664 4.011 1.00 0.00 C ATOM 625 O VAL A 43 7.106 -0.998 3.021 1.00 0.00 O ATOM 626 CB VAL A 43 5.760 -1.759 5.960 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.846 -3.285 6.040 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.409 -1.157 7.322 1.00 0.00 C ATOM 0 H VAL A 43 6.064 0.659 5.132 1.00 0.00 H new ATOM 0 HA VAL A 43 7.857 -1.494 6.083 1.00 0.00 H new ATOM 0 HB VAL A 43 4.959 -1.505 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.909 -3.682 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.027 -3.692 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.664 -3.569 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.481 -1.597 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.211 -1.365 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.284 -0.079 7.222 1.00 0.00 H new ATOM 638 N GLN A 44 8.028 -2.832 3.970 1.00 0.00 N ATOM 639 CA GLN A 44 8.417 -3.429 2.704 1.00 0.00 C ATOM 640 C GLN A 44 7.178 -3.886 1.930 1.00 0.00 C ATOM 641 O GLN A 44 6.130 -4.139 2.523 1.00 0.00 O ATOM 642 CB GLN A 44 9.388 -4.591 2.920 1.00 0.00 C ATOM 643 CG GLN A 44 10.583 -4.156 3.770 1.00 0.00 C ATOM 644 CD GLN A 44 11.638 -3.452 2.913 1.00 0.00 C ATOM 645 OE1 GLN A 44 11.767 -3.689 1.723 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.382 -2.576 3.582 1.00 0.00 N ATOM 0 H GLN A 44 8.273 -3.381 4.794 1.00 0.00 H new ATOM 0 HA GLN A 44 8.933 -2.673 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.870 -5.416 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.738 -4.961 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.246 -3.487 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.025 -5.026 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.221 -2.426 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.114 -2.054 3.099 1.00 0.00 H new ATOM 655 N PRO A 45 7.344 -3.981 0.584 1.00 0.00 N ATOM 656 CA PRO A 45 6.252 -4.403 -0.277 1.00 0.00 C ATOM 657 C PRO A 45 6.017 -5.911 -0.165 1.00 0.00 C ATOM 658 O PRO A 45 5.143 -6.458 -0.836 1.00 0.00 O ATOM 659 CB PRO A 45 6.662 -3.967 -1.674 1.00 0.00 C ATOM 660 CG PRO A 45 8.163 -3.737 -1.616 1.00 0.00 C ATOM 661 CD PRO A 45 8.571 -3.689 -0.153 1.00 0.00 C ATOM 0 HA PRO A 45 5.298 -3.954 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.412 -4.731 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.139 -3.057 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.692 -4.537 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.426 -2.805 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.348 -4.421 0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.971 -2.711 0.115 1.00 0.00 H new ATOM 669 N ALA A 46 6.813 -6.539 0.687 1.00 0.00 N ATOM 670 CA ALA A 46 6.703 -7.973 0.895 1.00 0.00 C ATOM 671 C ALA A 46 6.055 -8.238 2.256 1.00 0.00 C ATOM 672 O ALA A 46 5.397 -9.260 2.445 1.00 0.00 O ATOM 673 CB ALA A 46 8.087 -8.615 0.774 1.00 0.00 C ATOM 0 H ALA A 46 7.537 -6.082 1.241 1.00 0.00 H new ATOM 0 HA ALA A 46 6.067 -8.423 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.004 -9.691 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.492 -8.423 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.752 -8.190 1.525 1.00 0.00 H new ATOM 679 N ARG A 47 6.263 -7.300 3.168 1.00 0.00 N ATOM 680 CA ARG A 47 5.707 -7.420 4.505 1.00 0.00 C ATOM 681 C ARG A 47 4.295 -6.833 4.547 1.00 0.00 C ATOM 682 O ARG A 47 3.416 -7.370 5.219 1.00 0.00 O ATOM 683 CB ARG A 47 6.583 -6.699 5.532 1.00 0.00 C ATOM 684 CG ARG A 47 8.060 -7.043 5.331 1.00 0.00 C ATOM 685 CD ARG A 47 8.551 -8.004 6.416 1.00 0.00 C ATOM 686 NE ARG A 47 8.347 -9.404 5.981 1.00 0.00 N ATOM 687 CZ ARG A 47 8.376 -10.459 6.807 1.00 0.00 C ATOM 688 NH1 ARG A 47 8.599 -10.279 8.116 1.00 0.00 N ATOM 689 NH2 ARG A 47 8.181 -11.693 6.324 1.00 0.00 N ATOM 0 H ARG A 47 6.809 -6.453 3.007 1.00 0.00 H new ATOM 0 HA ARG A 47 5.671 -8.480 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.442 -5.622 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.274 -6.979 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.202 -7.494 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.656 -6.130 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.607 -7.828 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.013 -7.821 7.346 1.00 0.00 H new ATOM 0 HE ARG A 47 8.174 -9.577 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.747 -9.339 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.621 -11.082 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.010 -11.830 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.203 -12.496 6.953 1.00 0.00 H new ATOM 703 N GLN A 48 4.121 -5.739 3.820 1.00 0.00 N ATOM 704 CA GLN A 48 2.831 -5.074 3.766 1.00 0.00 C ATOM 705 C GLN A 48 1.766 -6.026 3.218 1.00 0.00 C ATOM 706 O GLN A 48 1.570 -6.113 2.006 1.00 0.00 O ATOM 707 CB GLN A 48 2.907 -3.796 2.928 1.00 0.00 C ATOM 708 CG GLN A 48 3.759 -2.733 3.626 1.00 0.00 C ATOM 709 CD GLN A 48 3.941 -1.504 2.733 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.684 -0.377 3.125 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.398 -1.782 1.516 1.00 0.00 N ATOM 0 H GLN A 48 4.852 -5.297 3.263 1.00 0.00 H new ATOM 0 HA GLN A 48 2.549 -4.788 4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.331 -4.023 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.903 -3.408 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.285 -2.439 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.733 -3.151 3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.593 -2.748 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.554 -1.029 0.846 1.00 0.00 H new ATOM 720 N LYS A 49 1.104 -6.715 4.136 1.00 0.00 N ATOM 721 CA LYS A 49 0.064 -7.657 3.759 1.00 0.00 C ATOM 722 C LYS A 49 -1.141 -6.888 3.214 1.00 0.00 C ATOM 723 O LYS A 49 -2.012 -6.472 3.976 1.00 0.00 O ATOM 724 CB LYS A 49 -0.274 -8.579 4.933 1.00 0.00 C ATOM 725 CG LYS A 49 -0.907 -9.882 4.441 1.00 0.00 C ATOM 726 CD LYS A 49 -1.762 -10.524 5.536 1.00 0.00 C ATOM 727 CE LYS A 49 -2.275 -11.896 5.097 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.438 -12.788 6.268 1.00 0.00 N ATOM 0 H LYS A 49 1.268 -6.640 5.140 1.00 0.00 H new ATOM 0 HA LYS A 49 0.413 -8.311 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.631 -8.801 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.958 -8.072 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.523 -9.683 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.126 -10.576 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.174 -10.626 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.605 -9.875 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.229 -11.786 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.578 -12.341 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.787 -13.715 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.521 -12.907 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.121 -12.369 6.931 1.00 0.00 H new ATOM 742 N VAL A 50 -1.152 -6.723 1.900 1.00 0.00 N ATOM 743 CA VAL A 50 -2.236 -6.012 1.244 1.00 0.00 C ATOM 744 C VAL A 50 -3.405 -6.972 1.015 1.00 0.00 C ATOM 745 O VAL A 50 -3.365 -7.800 0.106 1.00 0.00 O ATOM 746 CB VAL A 50 -1.732 -5.365 -0.048 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.864 -4.639 -0.776 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.564 -4.418 0.233 1.00 0.00 C ATOM 0 H VAL A 50 -0.427 -7.070 1.271 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.599 -5.202 1.877 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.370 -6.159 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.478 -4.188 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.651 -5.350 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.271 -3.860 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.225 -3.971 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.889 -3.631 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.255 -4.975 0.687 1.00 0.00 H new ATOM 758 N MET A 51 -4.420 -6.828 1.855 1.00 0.00 N ATOM 759 CA MET A 51 -5.599 -7.672 1.755 1.00 0.00 C ATOM 760 C MET A 51 -6.491 -7.234 0.592 1.00 0.00 C ATOM 761 O MET A 51 -6.270 -6.179 0.000 1.00 0.00 O ATOM 762 CB MET A 51 -6.391 -7.599 3.063 1.00 0.00 C ATOM 763 CG MET A 51 -5.981 -8.724 4.015 1.00 0.00 C ATOM 764 SD MET A 51 -7.349 -9.844 4.261 1.00 0.00 S ATOM 765 CE MET A 51 -7.367 -10.665 2.676 1.00 0.00 C ATOM 0 H MET A 51 -4.450 -6.140 2.607 1.00 0.00 H new ATOM 0 HA MET A 51 -5.275 -8.697 1.572 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.223 -6.634 3.541 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.458 -7.668 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.127 -9.264 3.606 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.666 -8.306 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.242 -10.346 2.111 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.464 -10.408 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.406 -11.744 2.826 1.00 0.00 H new ATOM 775 N VAL A 52 -7.479 -8.066 0.300 1.00 0.00 N ATOM 776 CA VAL A 52 -8.406 -7.777 -0.781 1.00 0.00 C ATOM 777 C VAL A 52 -9.833 -8.073 -0.317 1.00 0.00 C ATOM 778 O VAL A 52 -10.040 -8.865 0.601 1.00 0.00 O ATOM 779 CB VAL A 52 -8.009 -8.563 -2.033 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.806 -8.091 -3.251 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.505 -8.463 -2.290 1.00 0.00 C ATOM 0 H VAL A 52 -7.658 -8.941 0.793 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.364 -6.721 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.249 -9.612 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.505 -8.665 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.870 -8.238 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.611 -7.033 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.250 -9.030 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.229 -7.418 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.962 -8.869 -1.436 1.00 0.00 H new ATOM 791 N LYS A 53 -10.782 -7.420 -0.973 1.00 0.00 N ATOM 792 CA LYS A 53 -12.184 -7.603 -0.639 1.00 0.00 C ATOM 793 C LYS A 53 -12.409 -9.043 -0.174 1.00 0.00 C ATOM 794 O LYS A 53 -13.148 -9.283 0.780 1.00 0.00 O ATOM 795 CB LYS A 53 -13.073 -7.190 -1.813 1.00 0.00 C ATOM 796 CG LYS A 53 -13.012 -5.678 -2.042 1.00 0.00 C ATOM 797 CD LYS A 53 -14.307 -5.002 -1.587 1.00 0.00 C ATOM 798 CE LYS A 53 -14.011 -3.722 -0.803 1.00 0.00 C ATOM 799 NZ LYS A 53 -13.579 -4.047 0.575 1.00 0.00 N ATOM 0 H LYS A 53 -10.607 -6.764 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.466 -6.952 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.755 -7.711 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.102 -7.491 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.167 -5.258 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.843 -5.473 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.923 -4.767 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.881 -5.689 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.233 -3.150 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.901 -3.093 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.382 -3.167 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.333 -4.574 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.718 -4.629 0.541 1.00 0.00 H new ATOM 813 N GLY A 54 -11.759 -9.964 -0.869 1.00 0.00 N ATOM 814 CA GLY A 54 -11.879 -11.374 -0.539 1.00 0.00 C ATOM 815 C GLY A 54 -10.692 -12.169 -1.088 1.00 0.00 C ATOM 816 O GLY A 54 -10.870 -13.248 -1.651 1.00 0.00 O ATOM 0 H GLY A 54 -11.147 -9.762 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.933 -11.495 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.808 -11.770 -0.950 1.00 0.00 H new ATOM 820 N GLY A 55 -9.508 -11.605 -0.904 1.00 0.00 N ATOM 821 CA GLY A 55 -8.292 -12.247 -1.374 1.00 0.00 C ATOM 822 C GLY A 55 -7.055 -11.448 -0.959 1.00 0.00 C ATOM 823 O GLY A 55 -7.145 -10.542 -0.132 1.00 0.00 O ATOM 0 H GLY A 55 -9.364 -10.710 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.230 -13.257 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.322 -12.340 -2.460 1.00 0.00 H new ATOM 827 N THR A 56 -5.928 -11.813 -1.553 1.00 0.00 N ATOM 828 CA THR A 56 -4.674 -11.141 -1.256 1.00 0.00 C ATOM 829 C THR A 56 -4.046 -10.593 -2.539 1.00 0.00 C ATOM 830 O THR A 56 -4.167 -11.200 -3.602 1.00 0.00 O ATOM 831 CB THR A 56 -3.773 -12.129 -0.512 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.486 -12.413 0.688 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.472 -11.486 -0.030 1.00 0.00 C ATOM 0 H THR A 56 -5.857 -12.565 -2.238 1.00 0.00 H new ATOM 0 HA THR A 56 -4.832 -10.275 -0.613 1.00 0.00 H new ATOM 0 HB THR A 56 -3.541 -12.971 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.974 -13.048 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.870 -12.230 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.916 -11.104 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.702 -10.665 0.649 1.00 0.00 H new ATOM 841 N LEU A 57 -3.388 -9.452 -2.397 1.00 0.00 N ATOM 842 CA LEU A 57 -2.740 -8.815 -3.531 1.00 0.00 C ATOM 843 C LEU A 57 -1.406 -9.511 -3.808 1.00 0.00 C ATOM 844 O LEU A 57 -0.528 -9.542 -2.947 1.00 0.00 O ATOM 845 CB LEU A 57 -2.611 -7.308 -3.298 1.00 0.00 C ATOM 846 CG LEU A 57 -3.039 -6.411 -4.460 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.519 -4.984 -4.272 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.607 -7.006 -5.801 1.00 0.00 C ATOM 0 H LEU A 57 -3.290 -8.952 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.349 -8.924 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.205 -7.044 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.572 -7.085 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.128 -6.359 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.838 -4.367 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.918 -4.570 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.430 -4.997 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.924 -6.348 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.522 -7.109 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.067 -7.986 -5.929 1.00 0.00 H new ATOM 860 N LYS A 58 -1.297 -10.053 -5.012 1.00 0.00 N ATOM 861 CA LYS A 58 -0.084 -10.746 -5.413 1.00 0.00 C ATOM 862 C LYS A 58 1.107 -9.795 -5.290 1.00 0.00 C ATOM 863 O LYS A 58 0.984 -8.709 -4.724 1.00 0.00 O ATOM 864 CB LYS A 58 -0.249 -11.348 -6.810 1.00 0.00 C ATOM 865 CG LYS A 58 -0.403 -12.869 -6.738 1.00 0.00 C ATOM 866 CD LYS A 58 -0.028 -13.522 -8.069 1.00 0.00 C ATOM 867 CE LYS A 58 -0.046 -15.048 -7.956 1.00 0.00 C ATOM 868 NZ LYS A 58 -0.216 -15.665 -9.290 1.00 0.00 N ATOM 0 H LYS A 58 -2.028 -10.026 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 58 0.111 -11.588 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.122 -10.913 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.616 -11.095 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.230 -13.265 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.432 -13.122 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.725 -13.203 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.963 -13.188 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.883 -15.396 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.857 -15.360 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.226 -16.701 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.114 -15.347 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.572 -15.382 -9.907 1.00 0.00 H new ATOM 882 N ASP A 59 2.234 -10.236 -5.829 1.00 0.00 N ATOM 883 CA ASP A 59 3.447 -9.437 -5.786 1.00 0.00 C ATOM 884 C ASP A 59 4.204 -9.595 -7.107 1.00 0.00 C ATOM 885 O ASP A 59 5.398 -9.311 -7.180 1.00 0.00 O ATOM 886 CB ASP A 59 4.370 -9.896 -4.655 1.00 0.00 C ATOM 887 CG ASP A 59 3.959 -9.431 -3.256 1.00 0.00 C ATOM 888 OD1 ASP A 59 2.875 -9.864 -2.810 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.740 -8.654 -2.665 1.00 0.00 O ATOM 0 H ASP A 59 2.333 -11.136 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 59 3.161 -8.399 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.414 -10.985 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.378 -9.535 -4.860 1.00 0.00 H new ATOM 894 N ASP A 60 3.476 -10.047 -8.118 1.00 0.00 N ATOM 895 CA ASP A 60 4.064 -10.246 -9.432 1.00 0.00 C ATOM 896 C ASP A 60 3.184 -9.572 -10.486 1.00 0.00 C ATOM 897 O ASP A 60 3.629 -8.658 -11.179 1.00 0.00 O ATOM 898 CB ASP A 60 4.156 -11.734 -9.774 1.00 0.00 C ATOM 899 CG ASP A 60 5.146 -12.533 -8.925 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.811 -11.897 -8.079 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.216 -13.763 -9.141 1.00 0.00 O ATOM 0 H ASP A 60 2.485 -10.281 -8.054 1.00 0.00 H new ATOM 0 HA ASP A 60 5.065 -9.816 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.167 -12.178 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.437 -11.834 -10.822 1.00 0.00 H new ATOM 906 N ASP A 61 1.951 -10.049 -10.575 1.00 0.00 N ATOM 907 CA ASP A 61 1.004 -9.503 -11.533 1.00 0.00 C ATOM 908 C ASP A 61 -0.419 -9.703 -11.008 1.00 0.00 C ATOM 909 O ASP A 61 -0.723 -10.732 -10.407 1.00 0.00 O ATOM 910 CB ASP A 61 1.115 -10.215 -12.883 1.00 0.00 C ATOM 911 CG ASP A 61 2.537 -10.603 -13.295 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.262 -9.695 -13.755 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.866 -11.799 -13.140 1.00 0.00 O ATOM 0 H ASP A 61 1.586 -10.808 -9.999 1.00 0.00 H new ATOM 0 HA ASP A 61 1.229 -8.444 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.503 -11.116 -12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.693 -9.569 -13.653 1.00 0.00 H new ATOM 918 N TRP A 62 -1.252 -8.703 -11.255 1.00 0.00 N ATOM 919 CA TRP A 62 -2.636 -8.756 -10.815 1.00 0.00 C ATOM 920 C TRP A 62 -3.306 -9.947 -11.504 1.00 0.00 C ATOM 921 O TRP A 62 -3.438 -11.017 -10.911 1.00 0.00 O ATOM 922 CB TRP A 62 -3.349 -7.430 -11.087 1.00 0.00 C ATOM 923 CG TRP A 62 -2.645 -6.211 -10.488 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.517 -5.621 -10.907 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.072 -5.451 -9.338 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.187 -4.542 -10.114 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.162 -4.435 -9.129 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.190 -5.617 -8.501 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.276 -3.505 -8.089 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.290 -4.680 -7.466 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.382 -3.651 -7.242 1.00 0.00 C ATOM 0 H TRP A 62 -0.995 -7.851 -11.754 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.692 -8.901 -9.736 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.439 -7.292 -12.164 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.362 -7.485 -10.687 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.939 -5.949 -11.758 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.376 -3.934 -10.229 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.914 -6.405 -8.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.551 -2.718 -7.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.132 -4.762 -6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.529 -2.968 -6.419 1.00 0.00 H new ATOM 942 N GLY A 63 -3.710 -9.722 -12.745 1.00 0.00 N ATOM 943 CA GLY A 63 -4.362 -10.764 -13.520 1.00 0.00 C ATOM 944 C GLY A 63 -5.169 -11.697 -12.615 1.00 0.00 C ATOM 945 O GLY A 63 -4.770 -12.837 -12.380 1.00 0.00 O ATOM 0 H GLY A 63 -3.599 -8.833 -13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.020 -10.312 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.614 -11.339 -14.066 1.00 0.00 H new ATOM 949 N ASN A 64 -6.288 -11.179 -12.132 1.00 0.00 N ATOM 950 CA ASN A 64 -7.155 -11.952 -11.258 1.00 0.00 C ATOM 951 C ASN A 64 -8.101 -11.004 -10.518 1.00 0.00 C ATOM 952 O ASN A 64 -9.311 -11.033 -10.737 1.00 0.00 O ATOM 953 CB ASN A 64 -6.341 -12.718 -10.214 1.00 0.00 C ATOM 954 CG ASN A 64 -6.481 -14.229 -10.410 1.00 0.00 C ATOM 955 OD1 ASN A 64 -6.539 -14.734 -11.519 1.00 0.00 O ATOM 956 ND2 ASN A 64 -6.533 -14.920 -9.275 1.00 0.00 N ATOM 0 H ASN A 64 -6.615 -10.233 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.711 -12.660 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.291 -12.434 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.677 -12.445 -9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.627 -15.935 -9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.479 -14.435 -8.380 1.00 0.00 H new ATOM 963 N ILE A 65 -7.514 -10.187 -9.656 1.00 0.00 N ATOM 964 CA ILE A 65 -8.289 -9.233 -8.882 1.00 0.00 C ATOM 965 C ILE A 65 -8.773 -8.110 -9.801 1.00 0.00 C ATOM 966 O ILE A 65 -7.982 -7.518 -10.534 1.00 0.00 O ATOM 967 CB ILE A 65 -7.484 -8.738 -7.678 1.00 0.00 C ATOM 968 CG1 ILE A 65 -7.139 -9.894 -6.737 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.219 -7.609 -6.954 1.00 0.00 C ATOM 970 CD1 ILE A 65 -6.089 -9.469 -5.709 1.00 0.00 C ATOM 0 H ILE A 65 -6.510 -10.166 -9.477 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.176 -9.712 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.542 -8.327 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.040 -10.231 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.766 -10.739 -7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.625 -7.276 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.371 -6.775 -7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -9.186 -7.970 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.862 -10.309 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.181 -9.155 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.475 -8.639 -5.116 1.00 0.00 H new ATOM 982 N LYS A 66 -10.070 -7.850 -9.733 1.00 0.00 N ATOM 983 CA LYS A 66 -10.669 -6.808 -10.551 1.00 0.00 C ATOM 984 C LYS A 66 -10.708 -5.501 -9.756 1.00 0.00 C ATOM 985 O LYS A 66 -11.781 -5.030 -9.381 1.00 0.00 O ATOM 986 CB LYS A 66 -12.038 -7.254 -11.069 1.00 0.00 C ATOM 987 CG LYS A 66 -11.903 -8.008 -12.394 1.00 0.00 C ATOM 988 CD LYS A 66 -11.267 -9.383 -12.179 1.00 0.00 C ATOM 989 CE LYS A 66 -12.298 -10.391 -11.670 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.180 -10.557 -10.203 1.00 0.00 N ATOM 0 H LYS A 66 -10.723 -8.343 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.063 -6.624 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.520 -7.894 -10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.681 -6.384 -11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.885 -8.125 -12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.295 -7.427 -13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.837 -9.739 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.449 -9.301 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.302 -10.053 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.151 -11.352 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.466 -11.521 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.194 -10.397 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.797 -9.869 -9.725 1.00 0.00 H new ATOM 1004 N MET A 67 -9.525 -4.953 -9.521 1.00 0.00 N ATOM 1005 CA MET A 67 -9.411 -3.710 -8.777 1.00 0.00 C ATOM 1006 C MET A 67 -10.533 -2.741 -9.154 1.00 0.00 C ATOM 1007 O MET A 67 -11.150 -2.879 -10.209 1.00 0.00 O ATOM 1008 CB MET A 67 -8.057 -3.062 -9.071 1.00 0.00 C ATOM 1009 CG MET A 67 -7.067 -3.320 -7.933 1.00 0.00 C ATOM 1010 SD MET A 67 -7.329 -2.142 -6.618 1.00 0.00 S ATOM 1011 CE MET A 67 -6.763 -3.103 -5.224 1.00 0.00 C ATOM 0 H MET A 67 -8.637 -5.347 -9.833 1.00 0.00 H new ATOM 0 HA MET A 67 -9.493 -3.936 -7.714 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.655 -3.458 -10.004 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.186 -1.989 -9.209 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.192 -4.334 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.045 -3.242 -8.304 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.973 -2.563 -4.301 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.281 -4.062 -5.209 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.690 -3.271 -5.310 1.00 0.00 H new ATOM 1021 N LYS A 68 -10.764 -1.781 -8.270 1.00 0.00 N ATOM 1022 CA LYS A 68 -11.802 -0.789 -8.496 1.00 0.00 C ATOM 1023 C LYS A 68 -11.556 0.416 -7.586 1.00 0.00 C ATOM 1024 O LYS A 68 -10.964 0.281 -6.517 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.187 -1.415 -8.327 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.324 -2.082 -6.957 1.00 0.00 C ATOM 1027 CD LYS A 68 -13.543 -3.589 -7.100 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.700 -4.062 -6.218 1.00 0.00 C ATOM 1029 NZ LYS A 68 -14.281 -4.118 -4.800 1.00 0.00 N ATOM 0 H LYS A 68 -10.250 -1.669 -7.396 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.765 -0.426 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.953 -0.648 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.355 -2.152 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.427 -1.896 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.160 -1.639 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.752 -3.832 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.631 -4.120 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.548 -3.386 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.034 -5.047 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.317 -5.102 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.310 -3.757 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.922 -3.534 -4.225 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.023 1.569 -8.045 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.861 2.797 -7.285 1.00 0.00 C ATOM 1045 C ASN A 69 -12.984 2.904 -6.252 1.00 0.00 C ATOM 1046 O ASN A 69 -14.162 2.843 -6.601 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.939 4.023 -8.197 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.079 3.882 -9.209 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -12.719 4.125 -10.466 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.209 3.572 -8.870 1.00 0.00 N flip ATOM 0 H ASN A 69 -12.513 1.678 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.884 2.768 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.091 4.919 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.993 4.149 -8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.417 3.399 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.946 3.485 -9.570 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.580 3.061 -5.000 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.538 3.178 -3.914 1.00 0.00 C ATOM 1059 C GLY A 70 -13.213 2.193 -2.789 1.00 0.00 C ATOM 1060 O GLY A 70 -13.306 2.537 -1.611 1.00 0.00 O ATOM 0 H GLY A 70 -11.602 3.110 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.530 4.196 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.544 2.988 -4.289 1.00 0.00 H new ATOM 1064 N MET A 71 -12.838 0.987 -3.191 1.00 0.00 N ATOM 1065 CA MET A 71 -12.499 -0.050 -2.231 1.00 0.00 C ATOM 1066 C MET A 71 -11.445 0.445 -1.238 1.00 0.00 C ATOM 1067 O MET A 71 -10.898 1.535 -1.401 1.00 0.00 O ATOM 1068 CB MET A 71 -11.965 -1.277 -2.973 1.00 0.00 C ATOM 1069 CG MET A 71 -10.643 -0.961 -3.675 1.00 0.00 C ATOM 1070 SD MET A 71 -10.299 -2.199 -4.914 1.00 0.00 S ATOM 1071 CE MET A 71 -10.418 -3.676 -3.917 1.00 0.00 C ATOM 0 H MET A 71 -12.762 0.705 -4.168 1.00 0.00 H new ATOM 0 HA MET A 71 -13.399 -0.313 -1.675 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.820 -2.097 -2.270 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.699 -1.611 -3.706 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.694 0.024 -4.138 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.833 -0.929 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.009 -4.522 -4.470 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.854 -3.539 -2.994 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.464 -3.870 -3.678 1.00 0.00 H new ATOM 1081 N THR A 72 -11.192 -0.379 -0.233 1.00 0.00 N ATOM 1082 CA THR A 72 -10.214 -0.039 0.786 1.00 0.00 C ATOM 1083 C THR A 72 -9.107 -1.094 0.837 1.00 0.00 C ATOM 1084 O THR A 72 -9.372 -2.285 0.676 1.00 0.00 O ATOM 1085 CB THR A 72 -10.953 0.130 2.115 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.313 1.509 2.139 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.031 -0.036 3.324 1.00 0.00 C ATOM 0 H THR A 72 -11.648 -1.282 -0.102 1.00 0.00 H new ATOM 0 HA THR A 72 -9.714 0.901 0.554 1.00 0.00 H new ATOM 0 HB THR A 72 -11.763 -0.597 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.799 1.706 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.606 0.094 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.589 -1.032 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.239 0.712 3.283 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.891 -0.620 1.060 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.743 -1.507 1.134 1.00 0.00 C ATOM 1097 C VAL A 73 -6.263 -1.595 2.584 1.00 0.00 C ATOM 1098 O VAL A 73 -6.014 -0.574 3.222 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.652 -1.033 0.171 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.329 -1.752 0.445 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.086 -1.219 -1.284 1.00 0.00 C ATOM 0 H VAL A 73 -7.675 0.368 1.192 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.019 -2.514 0.822 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.496 0.032 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.571 -1.397 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.008 -1.546 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.465 -2.826 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.293 -0.874 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.284 -2.274 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.991 -0.641 -1.470 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.149 -2.825 3.063 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.705 -3.060 4.426 1.00 0.00 C ATOM 1113 C LEU A 74 -4.252 -3.539 4.408 1.00 0.00 C ATOM 1114 O LEU A 74 -3.916 -4.488 3.701 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.659 -4.016 5.144 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.678 -3.923 6.671 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.338 -4.363 7.264 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.075 -2.519 7.130 1.00 0.00 C ATOM 0 H LEU A 74 -6.357 -3.670 2.531 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.729 -2.133 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.669 -3.834 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.397 -5.037 4.865 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.437 -4.610 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.379 -4.287 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.136 -5.396 6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.544 -3.720 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.081 -2.480 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.358 -1.794 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.070 -2.281 6.753 1.00 0.00 H new ATOM 1130 N MET A 75 -3.429 -2.861 5.195 1.00 0.00 N ATOM 1131 CA MET A 75 -2.020 -3.206 5.279 1.00 0.00 C ATOM 1132 C MET A 75 -1.643 -3.633 6.699 1.00 0.00 C ATOM 1133 O MET A 75 -1.950 -2.934 7.663 1.00 0.00 O ATOM 1134 CB MET A 75 -1.174 -2.000 4.867 1.00 0.00 C ATOM 1135 CG MET A 75 -0.031 -2.422 3.941 1.00 0.00 C ATOM 1136 SD MET A 75 1.006 -1.017 3.571 1.00 0.00 S ATOM 1137 CE MET A 75 1.723 -0.729 5.180 1.00 0.00 C ATOM 0 H MET A 75 -3.711 -2.075 5.780 1.00 0.00 H new ATOM 0 HA MET A 75 -1.829 -4.042 4.606 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.802 -1.266 4.363 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.767 -1.516 5.755 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.560 -3.206 4.414 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.435 -2.839 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.663 -0.189 5.068 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.035 -0.138 5.785 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.910 -1.684 5.671 1.00 0.00 H new ATOM 1147 N MET A 76 -0.984 -4.779 6.782 1.00 0.00 N ATOM 1148 CA MET A 76 -0.562 -5.308 8.068 1.00 0.00 C ATOM 1149 C MET A 76 0.955 -5.505 8.110 1.00 0.00 C ATOM 1150 O MET A 76 1.501 -6.310 7.357 1.00 0.00 O ATOM 1151 CB MET A 76 -1.257 -6.647 8.322 1.00 0.00 C ATOM 1152 CG MET A 76 -2.729 -6.440 8.686 1.00 0.00 C ATOM 1153 SD MET A 76 -3.015 -6.938 10.377 1.00 0.00 S ATOM 1154 CE MET A 76 -2.105 -5.663 11.233 1.00 0.00 C ATOM 0 H MET A 76 -0.732 -5.356 5.980 1.00 0.00 H new ATOM 0 HA MET A 76 -0.838 -4.592 8.842 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.183 -7.274 7.433 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.750 -7.177 9.129 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.001 -5.392 8.556 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.363 -7.020 8.015 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.294 -5.738 12.304 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.039 -5.787 11.043 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.426 -4.685 10.876 1.00 0.00 H new ATOM 1164 N GLY A 77 1.592 -4.755 8.996 1.00 0.00 N ATOM 1165 CA GLY A 77 3.035 -4.836 9.146 1.00 0.00 C ATOM 1166 C GLY A 77 3.491 -4.163 10.442 1.00 0.00 C ATOM 1167 O GLY A 77 2.950 -4.439 11.512 1.00 0.00 O ATOM 0 H GLY A 77 1.135 -4.088 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.346 -5.881 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.520 -4.359 8.294 1.00 0.00 H new ATOM 1171 N SER A 78 4.481 -3.294 10.304 1.00 0.00 N ATOM 1172 CA SER A 78 5.016 -2.580 11.451 1.00 0.00 C ATOM 1173 C SER A 78 6.269 -1.801 11.045 1.00 0.00 C ATOM 1174 O SER A 78 6.435 -0.643 11.426 1.00 0.00 O ATOM 1175 CB SER A 78 5.336 -3.540 12.598 1.00 0.00 C ATOM 1176 OG SER A 78 4.603 -3.225 13.778 1.00 0.00 O ATOM 0 H SER A 78 4.927 -3.068 9.415 1.00 0.00 H new ATOM 0 HA SER A 78 4.258 -1.879 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.107 -4.561 12.291 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.404 -3.504 12.814 1.00 0.00 H new ATOM 0 HG SER A 78 4.834 -3.862 14.486 1.00 0.00 H new ATOM 1182 N ALA A 79 7.119 -2.469 10.278 1.00 0.00 N ATOM 1183 CA ALA A 79 8.352 -1.854 9.816 1.00 0.00 C ATOM 1184 C ALA A 79 9.283 -1.630 11.010 1.00 0.00 C ATOM 1185 O ALA A 79 9.393 -0.514 11.515 1.00 0.00 O ATOM 1186 CB ALA A 79 8.029 -0.554 9.077 1.00 0.00 C ATOM 0 H ALA A 79 6.978 -3.430 9.965 1.00 0.00 H new ATOM 0 HA ALA A 79 8.868 -2.509 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.954 -0.093 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.389 -0.771 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.513 0.130 9.752 1.00 0.00 H new