USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0.91 (180deg=0.883) USER MOD Single : A 29 GLN :FLIP amide:sc= -2.11 F(o=-2.7!,f=-2.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.43 F(o=-4.5!,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.2 K(o=-1.2,f=-7.2!) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.209 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -4.29 F(o=-8.4!,f=-4.3) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.929 F(o=-3.3!,f=-0.93) USER MOD Single : A 61 SER OG : rot 23:sc= 0.25 USER MOD Single : A 63 THR OG1 : rot -166:sc= -4.55! USER MOD Single : A 74 HIS : no HD1:sc= -18.4! C(o=-18!,f=-19!) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0843) USER MOD Single : A 79 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 53:sc= -0.882! USER MOD Single : A 94 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.9) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -13.4! C(o=-13!,f=-15!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -21.382 29.602 9.908 1.00 0.00 N ATOM 54 CA LEU A 5 -20.467 30.642 9.468 1.00 0.00 C ATOM 55 C LEU A 5 -20.823 31.957 10.164 1.00 0.00 C ATOM 56 O LEU A 5 -21.615 31.970 11.105 1.00 0.00 O ATOM 57 CB LEU A 5 -20.458 30.737 7.941 1.00 0.00 C ATOM 58 CG LEU A 5 -19.711 29.623 7.204 1.00 0.00 C ATOM 59 CD1 LEU A 5 -20.690 28.669 6.517 1.00 0.00 C ATOM 60 CD2 LEU A 5 -18.691 30.204 6.222 1.00 0.00 C ATOM 0 HA LEU A 5 -19.445 30.396 9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.490 30.748 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -20.016 31.692 7.659 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.155 29.040 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.134 27.887 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -21.343 28.217 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -21.292 29.222 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.174 29.392 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.205 30.825 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.966 30.810 6.766 1.00 0.00 H new ATOM 72 N VAL A 6 -20.221 33.031 9.675 1.00 0.00 N ATOM 73 CA VAL A 6 -20.465 34.348 10.238 1.00 0.00 C ATOM 74 C VAL A 6 -19.877 35.412 9.309 1.00 0.00 C ATOM 75 O VAL A 6 -19.142 35.089 8.377 1.00 0.00 O ATOM 76 CB VAL A 6 -19.906 34.420 11.660 1.00 0.00 C ATOM 77 CG1 VAL A 6 -19.434 35.837 11.992 1.00 0.00 C ATOM 78 CG2 VAL A 6 -20.937 33.932 12.680 1.00 0.00 C ATOM 0 H VAL A 6 -19.564 33.016 8.895 1.00 0.00 H new ATOM 0 HA VAL A 6 -21.535 34.539 10.314 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.042 33.758 11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -19.041 35.861 13.008 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -18.651 36.133 11.293 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.273 36.528 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -20.514 33.994 13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -21.829 34.556 12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -21.204 32.898 12.462 1.00 0.00 H new ATOM 88 N LYS A 7 -20.223 36.658 9.596 1.00 0.00 N ATOM 89 CA LYS A 7 -19.738 37.772 8.798 1.00 0.00 C ATOM 90 C LYS A 7 -18.237 37.948 9.035 1.00 0.00 C ATOM 91 O LYS A 7 -17.754 39.071 9.169 1.00 0.00 O ATOM 92 CB LYS A 7 -20.558 39.032 9.083 1.00 0.00 C ATOM 93 CG LYS A 7 -21.376 39.442 7.857 1.00 0.00 C ATOM 94 CD LYS A 7 -22.639 38.587 7.730 1.00 0.00 C ATOM 95 CE LYS A 7 -23.777 39.159 8.577 1.00 0.00 C ATOM 96 NZ LYS A 7 -24.983 39.376 7.746 1.00 0.00 N ATOM 0 H LYS A 7 -20.833 36.921 10.370 1.00 0.00 H new ATOM 0 HA LYS A 7 -19.871 37.567 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -21.225 38.853 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.893 39.846 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.651 40.494 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.769 39.336 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.947 38.540 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -22.424 37.566 8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.009 38.476 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.465 40.101 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.746 39.765 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.762 40.045 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.289 38.471 7.336 1.00 0.00 H new ATOM 110 N GLY A 8 -17.541 36.821 9.079 1.00 0.00 N ATOM 111 CA GLY A 8 -16.104 36.837 9.298 1.00 0.00 C ATOM 112 C GLY A 8 -15.674 35.676 10.196 1.00 0.00 C ATOM 113 O GLY A 8 -15.299 35.884 11.349 1.00 0.00 O ATOM 0 H GLY A 8 -17.945 35.891 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.586 36.773 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.813 37.783 9.755 1.00 0.00 H new ATOM 117 N PRO A 9 -15.743 34.446 9.619 1.00 0.00 N ATOM 118 CA PRO A 9 -15.365 33.252 10.354 1.00 0.00 C ATOM 119 C PRO A 9 -13.844 33.144 10.481 1.00 0.00 C ATOM 120 O PRO A 9 -13.126 34.107 10.215 1.00 0.00 O ATOM 121 CB PRO A 9 -15.979 32.099 9.576 1.00 0.00 C ATOM 122 CG PRO A 9 -16.281 32.646 8.191 1.00 0.00 C ATOM 123 CD PRO A 9 -16.182 34.162 8.256 1.00 0.00 C ATOM 0 HA PRO A 9 -15.728 33.259 11.382 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.292 31.255 9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.887 31.740 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.575 32.248 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.277 32.342 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.471 34.544 7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.143 34.631 8.043 1.00 0.00 H new ATOM 131 N TRP A 10 -13.397 31.965 10.886 1.00 0.00 N ATOM 132 CA TRP A 10 -11.975 31.719 11.051 1.00 0.00 C ATOM 133 C TRP A 10 -11.287 32.012 9.716 1.00 0.00 C ATOM 134 O TRP A 10 -11.950 32.306 8.723 1.00 0.00 O ATOM 135 CB TRP A 10 -11.719 30.298 11.556 1.00 0.00 C ATOM 136 CG TRP A 10 -12.411 29.974 12.881 1.00 0.00 C ATOM 137 CD1 TRP A 10 -13.458 30.597 13.439 1.00 0.00 C ATOM 138 CD2 TRP A 10 -12.061 28.916 13.798 1.00 0.00 C ATOM 139 NE1 TRP A 10 -13.807 30.021 14.643 1.00 0.00 N ATOM 140 CE2 TRP A 10 -12.931 28.965 14.868 1.00 0.00 C ATOM 141 CE3 TRP A 10 -11.044 27.948 13.725 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -12.871 28.075 15.947 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -10.997 27.065 14.811 1.00 0.00 C ATOM 144 CH2 TRP A 10 -11.865 27.102 15.896 1.00 0.00 C ATOM 0 H TRP A 10 -13.995 31.169 11.105 1.00 0.00 H new ATOM 0 HA TRP A 10 -11.555 32.378 11.811 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -12.055 29.589 10.800 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.645 30.153 11.674 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -13.965 31.444 13.001 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -14.568 30.316 15.255 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -10.353 27.890 12.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -13.563 28.135 16.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -10.233 26.302 14.805 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -11.764 26.384 16.696 1.00 0.00 H new ATOM 155 N THR A 11 -9.965 31.922 9.736 1.00 0.00 N ATOM 156 CA THR A 11 -9.180 32.174 8.540 1.00 0.00 C ATOM 157 C THR A 11 -7.868 31.389 8.588 1.00 0.00 C ATOM 158 O THR A 11 -7.705 30.495 9.417 1.00 0.00 O ATOM 159 CB THR A 11 -8.979 33.686 8.416 1.00 0.00 C ATOM 160 OG1 THR A 11 -7.951 33.978 9.359 1.00 0.00 O ATOM 161 CG2 THR A 11 -10.185 34.480 8.921 1.00 0.00 C ATOM 0 H THR A 11 -9.418 31.678 10.562 1.00 0.00 H new ATOM 0 HA THR A 11 -9.698 31.826 7.646 1.00 0.00 H new ATOM 0 HB THR A 11 -8.786 33.942 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.756 34.938 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.990 35.547 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.067 34.210 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.358 34.250 9.972 1.00 0.00 H new ATOM 169 N LYS A 12 -6.965 31.751 7.688 1.00 0.00 N ATOM 170 CA LYS A 12 -5.672 31.091 7.617 1.00 0.00 C ATOM 171 C LYS A 12 -5.081 30.986 9.024 1.00 0.00 C ATOM 172 O LYS A 12 -4.336 30.053 9.320 1.00 0.00 O ATOM 173 CB LYS A 12 -4.760 31.806 6.618 1.00 0.00 C ATOM 174 CG LYS A 12 -3.660 30.870 6.113 1.00 0.00 C ATOM 175 CD LYS A 12 -3.090 31.362 4.781 1.00 0.00 C ATOM 176 CE LYS A 12 -2.032 32.444 5.004 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.680 31.844 5.054 1.00 0.00 N ATOM 0 H LYS A 12 -7.103 32.493 7.002 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.783 30.074 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.350 32.168 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.311 32.679 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.862 30.808 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.061 29.864 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.651 30.525 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.895 31.757 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.081 33.179 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.236 32.974 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.026 32.592 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.633 31.159 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.482 31.358 4.156 1.00 0.00 H new ATOM 191 N GLU A 13 -5.435 31.956 9.854 1.00 0.00 N ATOM 192 CA GLU A 13 -4.948 31.984 11.223 1.00 0.00 C ATOM 193 C GLU A 13 -5.258 30.660 11.924 1.00 0.00 C ATOM 194 O GLU A 13 -4.379 29.812 12.073 1.00 0.00 O ATOM 195 CB GLU A 13 -5.544 33.165 11.993 1.00 0.00 C ATOM 196 CG GLU A 13 -5.698 32.830 13.478 1.00 0.00 C ATOM 197 CD GLU A 13 -5.518 34.078 14.343 1.00 0.00 C ATOM 198 OE1 GLU A 13 -4.345 34.426 14.600 1.00 0.00 O ATOM 199 OE2 GLU A 13 -6.557 34.656 14.729 1.00 0.00 O ATOM 0 H GLU A 13 -6.053 32.728 9.605 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.866 32.116 11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.903 34.039 11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.515 33.425 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.683 32.398 13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.963 32.077 13.763 1.00 0.00 H new ATOM 206 N GLU A 14 -6.510 30.524 12.336 1.00 0.00 N ATOM 207 CA GLU A 14 -6.946 29.317 13.017 1.00 0.00 C ATOM 208 C GLU A 14 -6.505 28.078 12.237 1.00 0.00 C ATOM 209 O GLU A 14 -6.121 27.070 12.830 1.00 0.00 O ATOM 210 CB GLU A 14 -8.462 29.323 13.225 1.00 0.00 C ATOM 211 CG GLU A 14 -8.916 30.612 13.914 1.00 0.00 C ATOM 212 CD GLU A 14 -8.068 30.898 15.155 1.00 0.00 C ATOM 213 OE1 GLU A 14 -7.599 29.912 15.762 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.907 32.098 15.467 1.00 0.00 O ATOM 0 H GLU A 14 -7.236 31.230 12.211 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.477 29.289 14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.965 29.224 12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.753 28.462 13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.841 31.447 13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.965 30.527 14.198 1.00 0.00 H new ATOM 221 N ASP A 15 -6.573 28.192 10.919 1.00 0.00 N ATOM 222 CA ASP A 15 -6.185 27.093 10.051 1.00 0.00 C ATOM 223 C ASP A 15 -4.687 26.825 10.213 1.00 0.00 C ATOM 224 O ASP A 15 -4.240 25.686 10.093 1.00 0.00 O ATOM 225 CB ASP A 15 -6.449 27.431 8.583 1.00 0.00 C ATOM 226 CG ASP A 15 -7.856 27.095 8.085 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.779 27.864 8.431 1.00 0.00 O ATOM 228 OD2 ASP A 15 -7.977 26.077 7.369 1.00 0.00 O ATOM 0 H ASP A 15 -6.891 29.029 10.431 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.773 26.219 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.272 28.496 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.725 26.898 7.967 1.00 0.00 H new ATOM 233 N GLN A 16 -3.953 27.895 10.484 1.00 0.00 N ATOM 234 CA GLN A 16 -2.515 27.790 10.664 1.00 0.00 C ATOM 235 C GLN A 16 -2.194 26.900 11.866 1.00 0.00 C ATOM 236 O GLN A 16 -1.135 26.278 11.917 1.00 0.00 O ATOM 237 CB GLN A 16 -1.880 29.173 10.820 1.00 0.00 C ATOM 238 CG GLN A 16 -1.851 29.601 12.289 1.00 0.00 C ATOM 239 CD GLN A 16 -0.442 29.469 12.870 1.00 0.00 C ATOM 240 OE1 GLN A 16 -0.102 28.501 13.530 1.00 0.00 O ATOM 241 NE2 GLN A 16 0.358 30.494 12.588 1.00 0.00 N ATOM 0 H GLN A 16 -4.328 28.839 10.583 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.089 27.330 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.865 29.158 10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.441 29.903 10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.190 30.633 12.378 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.544 28.988 12.864 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.010 31.274 12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.319 30.500 12.930 1.00 0.00 H new ATOM 250 N LYS A 17 -3.129 26.869 12.805 1.00 0.00 N ATOM 251 CA LYS A 17 -2.959 26.066 14.004 1.00 0.00 C ATOM 252 C LYS A 17 -3.035 24.583 13.635 1.00 0.00 C ATOM 253 O LYS A 17 -2.125 23.815 13.944 1.00 0.00 O ATOM 254 CB LYS A 17 -3.966 26.485 15.077 1.00 0.00 C ATOM 255 CG LYS A 17 -3.352 26.382 16.475 1.00 0.00 C ATOM 256 CD LYS A 17 -4.362 25.818 17.477 1.00 0.00 C ATOM 257 CE LYS A 17 -3.954 26.151 18.913 1.00 0.00 C ATOM 258 NZ LYS A 17 -3.908 24.922 19.737 1.00 0.00 N ATOM 0 H LYS A 17 -4.006 27.387 12.759 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.974 26.236 14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.293 27.509 14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.851 25.852 15.017 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.470 25.742 16.443 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.019 27.367 16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.351 26.228 17.272 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.434 24.737 17.357 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.978 26.635 18.917 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.662 26.859 19.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.629 25.166 20.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.847 24.476 19.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.215 24.260 19.334 1.00 0.00 H new ATOM 272 N VAL A 18 -4.129 24.225 12.978 1.00 0.00 N ATOM 273 CA VAL A 18 -4.335 22.848 12.563 1.00 0.00 C ATOM 274 C VAL A 18 -3.058 22.320 11.908 1.00 0.00 C ATOM 275 O VAL A 18 -2.648 21.188 12.161 1.00 0.00 O ATOM 276 CB VAL A 18 -5.559 22.755 11.649 1.00 0.00 C ATOM 277 CG1 VAL A 18 -5.425 21.586 10.671 1.00 0.00 C ATOM 278 CG2 VAL A 18 -6.847 22.642 12.466 1.00 0.00 C ATOM 0 H VAL A 18 -4.882 24.865 12.723 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.542 22.216 13.427 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.613 23.675 11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.308 21.542 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.538 21.728 10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.334 20.654 11.229 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.701 22.577 11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.807 21.747 13.087 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.953 23.521 13.102 1.00 0.00 H new ATOM 288 N ILE A 19 -2.464 23.165 11.078 1.00 0.00 N ATOM 289 CA ILE A 19 -1.241 22.798 10.385 1.00 0.00 C ATOM 290 C ILE A 19 -0.131 22.556 11.410 1.00 0.00 C ATOM 291 O ILE A 19 0.659 21.625 11.267 1.00 0.00 O ATOM 292 CB ILE A 19 -0.886 23.848 9.330 1.00 0.00 C ATOM 293 CG1 ILE A 19 -1.786 23.716 8.100 1.00 0.00 C ATOM 294 CG2 ILE A 19 0.598 23.780 8.965 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.148 23.129 8.477 1.00 0.00 C ATOM 0 H ILE A 19 -2.807 24.103 10.870 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.379 21.865 9.838 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.067 24.835 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.923 24.694 7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.304 23.078 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.823 24.537 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.200 23.962 9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.830 22.792 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.768 23.046 7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.009 22.141 8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.638 23.782 9.200 1.00 0.00 H new ATOM 307 N GLU A 20 -0.107 23.412 12.421 1.00 0.00 N ATOM 308 CA GLU A 20 0.893 23.303 13.470 1.00 0.00 C ATOM 309 C GLU A 20 0.593 22.100 14.366 1.00 0.00 C ATOM 310 O GLU A 20 1.459 21.648 15.114 1.00 0.00 O ATOM 311 CB GLU A 20 0.969 24.593 14.290 1.00 0.00 C ATOM 312 CG GLU A 20 2.142 24.550 15.271 1.00 0.00 C ATOM 313 CD GLU A 20 1.691 24.934 16.682 1.00 0.00 C ATOM 314 OE1 GLU A 20 0.875 25.876 16.780 1.00 0.00 O ATOM 315 OE2 GLU A 20 2.172 24.277 17.630 1.00 0.00 O ATOM 0 H GLU A 20 -0.764 24.184 12.536 1.00 0.00 H new ATOM 0 HA GLU A 20 1.866 23.150 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.080 25.447 13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.037 24.736 14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.574 23.549 15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.925 25.231 14.938 1.00 0.00 H new ATOM 322 N LEU A 21 -0.635 21.615 14.261 1.00 0.00 N ATOM 323 CA LEU A 21 -1.060 20.473 15.052 1.00 0.00 C ATOM 324 C LEU A 21 -0.646 19.183 14.342 1.00 0.00 C ATOM 325 O LEU A 21 0.129 18.394 14.881 1.00 0.00 O ATOM 326 CB LEU A 21 -2.558 20.556 15.353 1.00 0.00 C ATOM 327 CG LEU A 21 -2.943 21.274 16.648 1.00 0.00 C ATOM 328 CD1 LEU A 21 -4.335 21.898 16.535 1.00 0.00 C ATOM 329 CD2 LEU A 21 -2.832 20.334 17.850 1.00 0.00 C ATOM 0 H LEU A 21 -1.350 21.993 13.639 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.563 20.477 16.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.048 21.062 14.521 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.958 19.543 15.390 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.237 22.088 16.810 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.585 22.402 17.469 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.345 22.620 15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.069 21.117 16.337 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.111 20.869 18.758 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.500 19.484 17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.806 19.978 17.940 1.00 0.00 H new ATOM 341 N VAL A 22 -1.180 19.009 13.142 1.00 0.00 N ATOM 342 CA VAL A 22 -0.875 17.828 12.351 1.00 0.00 C ATOM 343 C VAL A 22 0.639 17.722 12.164 1.00 0.00 C ATOM 344 O VAL A 22 1.158 16.646 11.868 1.00 0.00 O ATOM 345 CB VAL A 22 -1.640 17.874 11.027 1.00 0.00 C ATOM 346 CG1 VAL A 22 -1.611 16.512 10.330 1.00 0.00 C ATOM 347 CG2 VAL A 22 -3.078 18.350 11.240 1.00 0.00 C ATOM 0 H VAL A 22 -1.822 19.666 12.698 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.202 16.926 12.869 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.142 18.594 10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.162 16.572 9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.578 16.229 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.072 15.764 10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.599 18.373 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.591 17.666 11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.070 19.350 11.673 1.00 0.00 H new ATOM 357 N LYS A 23 1.307 18.852 12.345 1.00 0.00 N ATOM 358 CA LYS A 23 2.752 18.899 12.199 1.00 0.00 C ATOM 359 C LYS A 23 3.404 18.244 13.418 1.00 0.00 C ATOM 360 O LYS A 23 4.139 17.267 13.283 1.00 0.00 O ATOM 361 CB LYS A 23 3.218 20.335 11.949 1.00 0.00 C ATOM 362 CG LYS A 23 3.441 20.587 10.457 1.00 0.00 C ATOM 363 CD LYS A 23 4.918 20.860 10.161 1.00 0.00 C ATOM 364 CE LYS A 23 5.528 19.730 9.329 1.00 0.00 C ATOM 365 NZ LYS A 23 6.317 18.821 10.190 1.00 0.00 N ATOM 0 H LYS A 23 0.874 19.742 12.591 1.00 0.00 H new ATOM 0 HA LYS A 23 3.066 18.330 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.475 21.034 12.332 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.143 20.521 12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.106 19.722 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.839 21.436 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.017 21.805 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.467 20.965 11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.737 19.171 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.166 20.147 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.724 18.060 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.083 19.355 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.699 18.409 10.918 1.00 0.00 H new ATOM 379 N LYS A 24 3.112 18.809 14.581 1.00 0.00 N ATOM 380 CA LYS A 24 3.661 18.291 15.823 1.00 0.00 C ATOM 381 C LYS A 24 3.070 16.908 16.100 1.00 0.00 C ATOM 382 O LYS A 24 3.643 16.123 16.854 1.00 0.00 O ATOM 383 CB LYS A 24 3.447 19.291 16.961 1.00 0.00 C ATOM 384 CG LYS A 24 4.535 19.149 18.027 1.00 0.00 C ATOM 385 CD LYS A 24 3.973 18.521 19.304 1.00 0.00 C ATOM 386 CE LYS A 24 3.210 19.555 20.134 1.00 0.00 C ATOM 387 NZ LYS A 24 4.147 20.353 20.956 1.00 0.00 N ATOM 0 H LYS A 24 2.503 19.620 14.689 1.00 0.00 H new ATOM 0 HA LYS A 24 4.740 18.165 15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.452 20.306 16.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.468 19.130 17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.348 18.533 17.642 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.957 20.128 18.254 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.310 17.695 19.046 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.787 18.103 19.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.644 20.213 19.475 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.489 19.052 20.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.613 21.050 21.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.669 19.723 21.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.819 20.848 20.335 1.00 0.00 H new ATOM 401 N TYR A 25 1.930 16.651 15.475 1.00 0.00 N ATOM 402 CA TYR A 25 1.255 15.376 15.645 1.00 0.00 C ATOM 403 C TYR A 25 1.801 14.331 14.669 1.00 0.00 C ATOM 404 O TYR A 25 2.332 13.303 15.088 1.00 0.00 O ATOM 405 CB TYR A 25 -0.219 15.633 15.324 1.00 0.00 C ATOM 406 CG TYR A 25 -1.018 16.212 16.494 1.00 0.00 C ATOM 407 CD1 TYR A 25 -0.388 16.995 17.440 1.00 0.00 C ATOM 408 CD2 TYR A 25 -2.369 15.952 16.602 1.00 0.00 C ATOM 409 CE1 TYR A 25 -1.140 17.540 18.540 1.00 0.00 C ATOM 410 CE2 TYR A 25 -3.121 16.497 17.703 1.00 0.00 C ATOM 411 CZ TYR A 25 -2.469 17.264 18.617 1.00 0.00 C ATOM 412 OH TYR A 25 -3.180 17.779 19.657 1.00 0.00 O ATOM 0 H TYR A 25 1.457 17.304 14.850 1.00 0.00 H new ATOM 0 HA TYR A 25 1.404 14.996 16.656 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.282 16.319 14.479 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.681 14.697 15.010 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.669 17.199 17.355 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.862 15.340 15.861 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.659 18.154 19.287 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.179 16.301 17.800 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.117 17.501 19.583 1.00 0.00 H new ATOM 422 N GLY A 26 1.653 14.631 13.387 1.00 0.00 N ATOM 423 CA GLY A 26 2.126 13.731 12.349 1.00 0.00 C ATOM 424 C GLY A 26 2.047 12.274 12.809 1.00 0.00 C ATOM 425 O GLY A 26 2.977 11.765 13.433 1.00 0.00 O ATOM 0 H GLY A 26 1.212 15.484 13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.529 13.864 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.155 13.979 12.089 1.00 0.00 H new ATOM 429 N THR A 27 0.928 11.644 12.484 1.00 0.00 N ATOM 430 CA THR A 27 0.715 10.255 12.856 1.00 0.00 C ATOM 431 C THR A 27 -0.595 9.738 12.260 1.00 0.00 C ATOM 432 O THR A 27 -0.592 8.803 11.460 1.00 0.00 O ATOM 433 CB THR A 27 0.768 10.161 14.382 1.00 0.00 C ATOM 434 OG1 THR A 27 0.081 8.948 14.679 1.00 0.00 O ATOM 435 CG2 THR A 27 -0.074 11.242 15.064 1.00 0.00 C ATOM 0 H THR A 27 0.159 12.070 11.967 1.00 0.00 H new ATOM 0 HA THR A 27 1.496 9.612 12.449 1.00 0.00 H new ATOM 0 HB THR A 27 1.803 10.242 14.715 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.069 8.808 15.649 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.002 11.131 16.146 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.294 12.226 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.115 11.140 14.757 1.00 0.00 H new ATOM 443 N LYS A 28 -1.685 10.368 12.672 1.00 0.00 N ATOM 444 CA LYS A 28 -3.000 9.984 12.189 1.00 0.00 C ATOM 445 C LYS A 28 -4.069 10.767 12.953 1.00 0.00 C ATOM 446 O LYS A 28 -4.953 10.176 13.572 1.00 0.00 O ATOM 447 CB LYS A 28 -3.177 8.466 12.267 1.00 0.00 C ATOM 448 CG LYS A 28 -3.681 7.903 10.936 1.00 0.00 C ATOM 449 CD LYS A 28 -2.525 7.349 10.102 1.00 0.00 C ATOM 450 CE LYS A 28 -2.031 8.386 9.092 1.00 0.00 C ATOM 451 NZ LYS A 28 -0.553 8.367 9.009 1.00 0.00 N ATOM 0 H LYS A 28 -1.684 11.143 13.336 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.108 10.241 11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.227 7.999 12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.882 8.219 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.410 7.114 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.195 8.685 10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.706 7.057 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.849 6.450 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.459 8.179 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.372 9.379 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.232 9.111 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.150 8.536 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.237 7.440 8.659 1.00 0.00 H new ATOM 465 N GLN A 29 -3.953 12.085 12.886 1.00 0.00 N ATOM 466 CA GLN A 29 -4.898 12.956 13.564 1.00 0.00 C ATOM 467 C GLN A 29 -5.572 13.893 12.559 1.00 0.00 C ATOM 468 O GLN A 29 -4.999 14.911 12.174 1.00 0.00 O ATOM 469 CB GLN A 29 -4.212 13.748 14.678 1.00 0.00 C ATOM 470 CG GLN A 29 -4.302 13.007 16.014 1.00 0.00 C ATOM 471 CD GLN A 29 -3.097 12.084 16.211 1.00 0.00 C ATOM 472 OE1 GLN A 29 -2.035 12.688 16.736 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 -3.131 10.903 15.907 1.00 0.00 N flip ATOM 0 H GLN A 29 -3.218 12.571 12.372 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.667 12.336 14.025 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.166 13.914 14.420 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.677 14.729 14.771 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.351 13.727 16.831 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.222 12.423 16.049 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.980 10.503 15.508 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.310 10.315 16.052 1.00 0.00 H new ATOM 482 N TRP A 30 -6.778 13.515 12.163 1.00 0.00 N ATOM 483 CA TRP A 30 -7.536 14.309 11.211 1.00 0.00 C ATOM 484 C TRP A 30 -8.797 14.815 11.914 1.00 0.00 C ATOM 485 O TRP A 30 -9.543 15.619 11.357 1.00 0.00 O ATOM 486 CB TRP A 30 -7.839 13.505 9.945 1.00 0.00 C ATOM 487 CG TRP A 30 -6.776 13.639 8.853 1.00 0.00 C ATOM 488 CD1 TRP A 30 -5.894 12.717 8.443 1.00 0.00 C ATOM 489 CD2 TRP A 30 -6.518 14.805 8.043 1.00 0.00 C ATOM 490 NE1 TRP A 30 -5.090 13.201 7.432 1.00 0.00 N ATOM 491 CE2 TRP A 30 -5.481 14.511 7.181 1.00 0.00 C ATOM 492 CE3 TRP A 30 -7.140 16.065 8.038 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -4.975 15.427 6.251 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -6.622 16.970 7.103 1.00 0.00 C ATOM 495 CH2 TRP A 30 -5.579 16.690 6.228 1.00 0.00 C ATOM 0 H TRP A 30 -7.249 12.669 12.484 1.00 0.00 H new ATOM 0 HA TRP A 30 -6.955 15.169 10.878 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.941 12.453 10.211 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -8.800 13.827 9.544 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.822 11.720 8.853 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.346 12.691 6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -7.953 16.316 8.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.162 15.173 5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.064 17.954 7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.236 17.443 5.534 1.00 0.00 H new ATOM 506 N THR A 31 -8.996 14.324 13.129 1.00 0.00 N ATOM 507 CA THR A 31 -10.154 14.716 13.914 1.00 0.00 C ATOM 508 C THR A 31 -9.921 16.084 14.560 1.00 0.00 C ATOM 509 O THR A 31 -10.831 16.910 14.618 1.00 0.00 O ATOM 510 CB THR A 31 -10.435 13.606 14.928 1.00 0.00 C ATOM 511 OG1 THR A 31 -11.786 13.233 14.668 1.00 0.00 O ATOM 512 CG2 THR A 31 -10.462 14.121 16.369 1.00 0.00 C ATOM 0 H THR A 31 -8.375 13.658 13.589 1.00 0.00 H new ATOM 0 HA THR A 31 -11.037 14.833 13.286 1.00 0.00 H new ATOM 0 HB THR A 31 -9.676 12.829 14.835 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.051 12.516 15.281 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.665 13.293 17.048 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.497 14.563 16.615 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.243 14.874 16.472 1.00 0.00 H new ATOM 520 N LEU A 32 -8.698 16.281 15.029 1.00 0.00 N ATOM 521 CA LEU A 32 -8.335 17.534 15.668 1.00 0.00 C ATOM 522 C LEU A 32 -8.653 18.695 14.723 1.00 0.00 C ATOM 523 O LEU A 32 -9.351 19.634 15.102 1.00 0.00 O ATOM 524 CB LEU A 32 -6.876 17.498 16.127 1.00 0.00 C ATOM 525 CG LEU A 32 -5.843 18.011 15.121 1.00 0.00 C ATOM 526 CD1 LEU A 32 -5.979 19.521 14.918 1.00 0.00 C ATOM 527 CD2 LEU A 32 -4.426 17.614 15.540 1.00 0.00 C ATOM 0 H LEU A 32 -7.946 15.594 14.979 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.926 17.686 16.571 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.788 18.087 17.040 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.623 16.470 16.386 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.039 17.538 14.159 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.234 19.860 14.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.976 19.749 14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.824 20.031 15.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.711 17.991 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.203 18.040 16.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.353 16.528 15.593 1.00 0.00 H new ATOM 539 N ILE A 33 -8.127 18.592 13.512 1.00 0.00 N ATOM 540 CA ILE A 33 -8.346 19.621 12.510 1.00 0.00 C ATOM 541 C ILE A 33 -9.786 20.129 12.614 1.00 0.00 C ATOM 542 O ILE A 33 -10.021 21.256 13.046 1.00 0.00 O ATOM 543 CB ILE A 33 -7.976 19.103 11.119 1.00 0.00 C ATOM 544 CG1 ILE A 33 -6.480 18.793 11.030 1.00 0.00 C ATOM 545 CG2 ILE A 33 -8.424 20.081 10.032 1.00 0.00 C ATOM 546 CD1 ILE A 33 -6.193 17.349 11.446 1.00 0.00 C ATOM 0 H ILE A 33 -7.549 17.811 13.202 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.692 20.474 12.691 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.510 18.168 10.950 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.131 18.958 10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.925 19.477 11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.149 19.688 9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.505 20.209 10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.938 21.044 10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.123 17.155 11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.521 17.194 12.474 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.731 16.667 10.787 1.00 0.00 H new ATOM 558 N ALA A 34 -10.712 19.272 12.211 1.00 0.00 N ATOM 559 CA ALA A 34 -12.122 19.619 12.253 1.00 0.00 C ATOM 560 C ALA A 34 -12.504 20.010 13.682 1.00 0.00 C ATOM 561 O ALA A 34 -12.949 21.131 13.925 1.00 0.00 O ATOM 562 CB ALA A 34 -12.953 18.447 11.727 1.00 0.00 C ATOM 0 H ALA A 34 -10.513 18.338 11.854 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.325 20.476 11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.011 18.708 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.664 18.228 10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.777 17.569 12.348 1.00 0.00 H new ATOM 568 N LYS A 35 -12.317 19.063 14.590 1.00 0.00 N ATOM 569 CA LYS A 35 -12.637 19.295 15.989 1.00 0.00 C ATOM 570 C LYS A 35 -12.105 20.666 16.409 1.00 0.00 C ATOM 571 O LYS A 35 -12.665 21.308 17.296 1.00 0.00 O ATOM 572 CB LYS A 35 -12.121 18.143 16.854 1.00 0.00 C ATOM 573 CG LYS A 35 -12.811 18.131 18.219 1.00 0.00 C ATOM 574 CD LYS A 35 -11.784 18.116 19.353 1.00 0.00 C ATOM 575 CE LYS A 35 -11.407 19.539 19.771 1.00 0.00 C ATOM 576 NZ LYS A 35 -11.675 19.743 21.212 1.00 0.00 N ATOM 0 H LYS A 35 -11.948 18.134 14.385 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.717 19.314 16.135 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.296 17.195 16.346 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.043 18.238 16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.451 19.008 18.315 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.456 17.256 18.296 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.190 17.577 20.209 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.891 17.579 19.033 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.352 19.719 19.562 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.976 20.260 19.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.414 20.713 21.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.686 19.592 21.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.113 19.067 21.769 1.00 0.00 H new ATOM 590 N HIS A 36 -11.029 21.075 15.751 1.00 0.00 N ATOM 591 CA HIS A 36 -10.415 22.359 16.045 1.00 0.00 C ATOM 592 C HIS A 36 -11.125 23.460 15.256 1.00 0.00 C ATOM 593 O HIS A 36 -11.717 24.365 15.841 1.00 0.00 O ATOM 594 CB HIS A 36 -8.909 22.314 15.779 1.00 0.00 C ATOM 595 CG HIS A 36 -8.101 21.733 16.914 1.00 0.00 C ATOM 596 ND1 HIS A 36 -8.096 20.481 17.455 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -7.169 22.470 17.625 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -7.208 20.454 18.441 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -6.633 21.686 18.548 1.00 0.00 N flip ATOM 0 H HIS A 36 -10.567 20.540 15.016 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.531 22.588 17.104 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.727 21.726 14.879 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.556 23.325 15.576 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -8.676 19.698 17.153 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.921 23.507 17.456 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.978 19.597 19.057 1.00 0.00 H new ATOM 607 N LEU A 37 -11.042 23.347 13.938 1.00 0.00 N ATOM 608 CA LEU A 37 -11.669 24.322 13.062 1.00 0.00 C ATOM 609 C LEU A 37 -13.031 23.792 12.608 1.00 0.00 C ATOM 610 O LEU A 37 -13.122 23.083 11.608 1.00 0.00 O ATOM 611 CB LEU A 37 -10.734 24.684 11.907 1.00 0.00 C ATOM 612 CG LEU A 37 -9.242 24.450 12.153 1.00 0.00 C ATOM 613 CD1 LEU A 37 -8.444 24.587 10.855 1.00 0.00 C ATOM 614 CD2 LEU A 37 -8.715 25.376 13.251 1.00 0.00 C ATOM 0 H LEU A 37 -10.550 22.595 13.456 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.851 25.254 13.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.032 24.109 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.881 25.736 11.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.110 23.427 12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.387 24.416 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.798 23.853 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.578 25.590 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.652 25.189 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.861 26.414 12.953 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.256 25.186 14.178 1.00 0.00 H new ATOM 626 N LYS A 38 -14.055 24.156 13.366 1.00 0.00 N ATOM 627 CA LYS A 38 -15.407 23.726 13.054 1.00 0.00 C ATOM 628 C LYS A 38 -16.056 24.742 12.112 1.00 0.00 C ATOM 629 O LYS A 38 -17.253 25.009 12.209 1.00 0.00 O ATOM 630 CB LYS A 38 -16.202 23.484 14.339 1.00 0.00 C ATOM 631 CG LYS A 38 -16.359 24.779 15.139 1.00 0.00 C ATOM 632 CD LYS A 38 -17.598 25.555 14.688 1.00 0.00 C ATOM 633 CE LYS A 38 -18.335 26.156 15.886 1.00 0.00 C ATOM 634 NZ LYS A 38 -19.614 26.764 15.457 1.00 0.00 N ATOM 0 H LYS A 38 -13.975 24.744 14.196 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.392 22.770 12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.185 23.083 14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.696 22.735 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.437 24.547 16.201 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.471 25.399 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.304 26.349 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.267 24.892 14.140 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.525 25.382 16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.710 26.910 16.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.101 27.167 16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.426 27.517 14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.216 26.036 15.022 1.00 0.00 H new ATOM 648 N GLY A 39 -15.237 25.281 11.220 1.00 0.00 N ATOM 649 CA GLY A 39 -15.716 26.262 10.261 1.00 0.00 C ATOM 650 C GLY A 39 -15.640 25.715 8.834 1.00 0.00 C ATOM 651 O GLY A 39 -16.246 26.271 7.919 1.00 0.00 O ATOM 0 H GLY A 39 -14.245 25.057 11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.745 26.533 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.121 27.172 10.338 1.00 0.00 H new ATOM 655 N ARG A 40 -14.891 24.632 8.688 1.00 0.00 N ATOM 656 CA ARG A 40 -14.727 24.004 7.388 1.00 0.00 C ATOM 657 C ARG A 40 -14.805 22.482 7.520 1.00 0.00 C ATOM 658 O ARG A 40 -13.885 21.773 7.115 1.00 0.00 O ATOM 659 CB ARG A 40 -13.388 24.387 6.756 1.00 0.00 C ATOM 660 CG ARG A 40 -13.294 23.874 5.317 1.00 0.00 C ATOM 661 CD ARG A 40 -12.671 24.928 4.399 1.00 0.00 C ATOM 662 NE ARG A 40 -11.415 24.410 3.814 1.00 0.00 N ATOM 663 CZ ARG A 40 -10.457 25.184 3.286 1.00 0.00 C ATOM 664 NH1 ARG A 40 -10.606 26.516 3.268 1.00 0.00 N ATOM 665 NH2 ARG A 40 -9.349 24.627 2.778 1.00 0.00 N ATOM 0 H ARG A 40 -14.391 24.173 9.449 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.533 24.358 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.273 25.471 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.571 23.973 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.695 22.963 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.288 23.613 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.371 25.190 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.471 25.840 4.962 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.269 23.401 3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.448 26.940 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.877 27.105 2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.235 23.614 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.620 25.217 2.376 1.00 0.00 H new ATOM 679 N LEU A 41 -15.910 22.025 8.089 1.00 0.00 N ATOM 680 CA LEU A 41 -16.120 20.600 8.280 1.00 0.00 C ATOM 681 C LEU A 41 -14.774 19.923 8.550 1.00 0.00 C ATOM 682 O LEU A 41 -14.253 19.991 9.662 1.00 0.00 O ATOM 683 CB LEU A 41 -16.880 20.006 7.092 1.00 0.00 C ATOM 684 CG LEU A 41 -18.404 19.970 7.222 1.00 0.00 C ATOM 685 CD1 LEU A 41 -18.849 18.831 8.141 1.00 0.00 C ATOM 686 CD2 LEU A 41 -18.947 21.324 7.682 1.00 0.00 C ATOM 0 H LEU A 41 -16.670 22.617 8.424 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.749 20.421 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.625 20.578 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.525 18.988 6.931 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.826 19.772 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.936 18.828 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.511 17.879 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.417 18.973 9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -20.032 21.271 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.520 21.577 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.676 22.090 6.956 1.00 0.00 H new ATOM 698 N GLY A 42 -14.251 19.284 7.513 1.00 0.00 N ATOM 699 CA GLY A 42 -12.977 18.595 7.625 1.00 0.00 C ATOM 700 C GLY A 42 -12.828 17.537 6.529 1.00 0.00 C ATOM 701 O GLY A 42 -12.343 16.437 6.787 1.00 0.00 O ATOM 0 H GLY A 42 -14.686 19.229 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.162 19.315 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.900 18.123 8.604 1.00 0.00 H new ATOM 705 N LYS A 43 -13.254 17.908 5.331 1.00 0.00 N ATOM 706 CA LYS A 43 -13.174 17.005 4.196 1.00 0.00 C ATOM 707 C LYS A 43 -12.144 17.537 3.197 1.00 0.00 C ATOM 708 O LYS A 43 -11.215 16.825 2.820 1.00 0.00 O ATOM 709 CB LYS A 43 -14.561 16.784 3.589 1.00 0.00 C ATOM 710 CG LYS A 43 -14.696 15.365 3.032 1.00 0.00 C ATOM 711 CD LYS A 43 -15.310 14.424 4.071 1.00 0.00 C ATOM 712 CE LYS A 43 -16.785 14.155 3.762 1.00 0.00 C ATOM 713 NZ LYS A 43 -17.650 15.108 4.492 1.00 0.00 N ATOM 0 H LYS A 43 -13.656 18.822 5.122 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.830 16.021 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.325 16.955 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.733 17.509 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.318 15.380 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.716 14.993 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.760 13.483 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.217 14.863 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.960 14.244 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.041 13.134 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.647 14.911 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.495 15.004 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.417 16.080 4.204 1.00 0.00 H new ATOM 727 N GLN A 44 -12.343 18.785 2.798 1.00 0.00 N ATOM 728 CA GLN A 44 -11.443 19.420 1.851 1.00 0.00 C ATOM 729 C GLN A 44 -10.145 19.834 2.548 1.00 0.00 C ATOM 730 O GLN A 44 -9.749 20.997 2.491 1.00 0.00 O ATOM 731 CB GLN A 44 -12.112 20.621 1.180 1.00 0.00 C ATOM 732 CG GLN A 44 -11.309 21.088 -0.036 1.00 0.00 C ATOM 733 CD GLN A 44 -10.871 22.545 0.123 1.00 0.00 C ATOM 734 OE1 GLN A 44 -10.938 23.128 1.192 1.00 0.00 O ATOM 735 NE2 GLN A 44 -10.420 23.099 -0.999 1.00 0.00 N ATOM 0 H GLN A 44 -13.114 19.373 3.114 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.200 18.699 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.123 20.353 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.203 21.438 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.432 20.453 -0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.913 20.982 -0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.390 22.554 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.104 24.069 -0.998 1.00 0.00 H new ATOM 744 N CYS A 45 -9.519 18.859 3.190 1.00 0.00 N ATOM 745 CA CYS A 45 -8.274 19.107 3.897 1.00 0.00 C ATOM 746 C CYS A 45 -7.371 17.885 3.723 1.00 0.00 C ATOM 747 O CYS A 45 -6.172 18.023 3.486 1.00 0.00 O ATOM 748 CB CYS A 45 -8.517 19.432 5.373 1.00 0.00 C ATOM 749 SG CYS A 45 -7.114 20.401 6.039 1.00 0.00 S ATOM 0 H CYS A 45 -9.851 17.895 3.235 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.782 19.984 3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.444 19.996 5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.636 18.510 5.942 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.331 20.673 7.292 1.00 0.00 H new ATOM 755 N ARG A 46 -7.981 16.715 3.847 1.00 0.00 N ATOM 756 CA ARG A 46 -7.246 15.469 3.706 1.00 0.00 C ATOM 757 C ARG A 46 -6.705 15.330 2.282 1.00 0.00 C ATOM 758 O ARG A 46 -7.112 14.434 1.544 1.00 0.00 O ATOM 759 CB ARG A 46 -8.136 14.266 4.026 1.00 0.00 C ATOM 760 CG ARG A 46 -8.768 14.405 5.413 1.00 0.00 C ATOM 761 CD ARG A 46 -9.474 13.112 5.825 1.00 0.00 C ATOM 762 NE ARG A 46 -10.773 12.998 5.124 1.00 0.00 N ATOM 763 CZ ARG A 46 -10.923 12.465 3.904 1.00 0.00 C ATOM 764 NH1 ARG A 46 -9.858 11.994 3.242 1.00 0.00 N ATOM 765 NH2 ARG A 46 -12.140 12.404 3.345 1.00 0.00 N ATOM 0 H ARG A 46 -8.976 16.604 4.044 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.416 15.491 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.919 14.178 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.546 13.351 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.998 14.652 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.482 15.229 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.846 12.253 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.631 13.102 6.904 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.605 13.347 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.932 12.041 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.973 11.588 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.951 12.763 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.255 11.998 2.416 1.00 0.00 H new ATOM 779 N GLU A 47 -5.796 16.230 1.938 1.00 0.00 N ATOM 780 CA GLU A 47 -5.195 16.219 0.615 1.00 0.00 C ATOM 781 C GLU A 47 -3.732 16.660 0.694 1.00 0.00 C ATOM 782 O GLU A 47 -3.123 16.987 -0.324 1.00 0.00 O ATOM 783 CB GLU A 47 -5.983 17.104 -0.352 1.00 0.00 C ATOM 784 CG GLU A 47 -5.446 16.970 -1.779 1.00 0.00 C ATOM 785 CD GLU A 47 -6.498 17.401 -2.803 1.00 0.00 C ATOM 786 OE1 GLU A 47 -7.388 16.570 -3.087 1.00 0.00 O ATOM 787 OE2 GLU A 47 -6.389 18.551 -3.279 1.00 0.00 O ATOM 0 H GLU A 47 -5.461 16.972 2.553 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.227 15.200 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.037 16.826 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.920 18.144 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.550 17.581 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.153 15.937 -1.966 1.00 0.00 H new ATOM 794 N ARG A 48 -3.209 16.654 1.911 1.00 0.00 N ATOM 795 CA ARG A 48 -1.829 17.049 2.136 1.00 0.00 C ATOM 796 C ARG A 48 -1.170 16.119 3.156 1.00 0.00 C ATOM 797 O ARG A 48 -0.056 15.645 2.940 1.00 0.00 O ATOM 798 CB ARG A 48 -1.744 18.491 2.640 1.00 0.00 C ATOM 799 CG ARG A 48 -0.857 19.340 1.727 1.00 0.00 C ATOM 800 CD ARG A 48 0.479 19.658 2.401 1.00 0.00 C ATOM 801 NE ARG A 48 1.005 20.947 1.899 1.00 0.00 N ATOM 802 CZ ARG A 48 2.250 21.389 2.124 1.00 0.00 C ATOM 803 NH1 ARG A 48 3.104 20.648 2.843 1.00 0.00 N ATOM 804 NH2 ARG A 48 2.641 22.571 1.629 1.00 0.00 N ATOM 0 H ARG A 48 -3.717 16.381 2.753 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.304 16.978 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.744 18.923 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.345 18.503 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.679 18.810 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.371 20.268 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.348 19.705 3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.195 18.861 2.201 1.00 0.00 H new ATOM 0 HE ARG A 48 0.381 21.536 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.806 19.748 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.052 20.984 3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.991 23.135 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.589 22.907 1.800 1.00 0.00 H new ATOM 818 N TRP A 49 -1.887 15.886 4.246 1.00 0.00 N ATOM 819 CA TRP A 49 -1.386 15.021 5.301 1.00 0.00 C ATOM 820 C TRP A 49 -1.889 13.602 5.028 1.00 0.00 C ATOM 821 O TRP A 49 -1.375 12.639 5.594 1.00 0.00 O ATOM 822 CB TRP A 49 -1.793 15.545 6.679 1.00 0.00 C ATOM 823 CG TRP A 49 -0.759 16.470 7.324 1.00 0.00 C ATOM 824 CD1 TRP A 49 0.429 16.140 7.849 1.00 0.00 C ATOM 825 CD2 TRP A 49 -0.870 17.899 7.493 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.090 17.248 8.341 1.00 0.00 N ATOM 827 CE2 TRP A 49 0.274 18.351 8.117 1.00 0.00 C ATOM 828 CE3 TRP A 49 -1.903 18.781 7.129 1.00 0.00 C ATOM 829 CZ2 TRP A 49 0.495 19.697 8.433 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -1.668 20.122 7.451 1.00 0.00 C ATOM 831 CH2 TRP A 49 -0.521 20.594 8.080 1.00 0.00 C ATOM 0 H TRP A 49 -2.811 16.281 4.421 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.296 15.009 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.738 16.081 6.588 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.970 14.697 7.341 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.820 15.134 7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.008 17.256 8.787 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.807 18.449 6.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.400 20.026 8.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.431 20.841 7.193 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.414 21.647 8.295 1.00 0.00 H new ATOM 842 N HIS A 50 -2.887 13.519 4.160 1.00 0.00 N ATOM 843 CA HIS A 50 -3.465 12.234 3.805 1.00 0.00 C ATOM 844 C HIS A 50 -2.842 11.735 2.500 1.00 0.00 C ATOM 845 O HIS A 50 -2.639 10.534 2.325 1.00 0.00 O ATOM 846 CB HIS A 50 -4.991 12.325 3.738 1.00 0.00 C ATOM 847 CG HIS A 50 -5.703 11.410 4.706 1.00 0.00 C ATOM 848 ND1 HIS A 50 -6.559 11.689 5.730 1.00 0.00 N flip ATOM 849 CD2 HIS A 50 -5.566 10.034 4.675 1.00 0.00 C flip ATOM 850 CE1 HIS A 50 -6.926 10.545 6.294 1.00 0.00 C flip ATOM 851 NE2 HIS A 50 -6.311 9.517 5.642 1.00 0.00 N flip ATOM 0 H HIS A 50 -3.310 14.321 3.692 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.237 11.501 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.293 13.353 3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.315 12.088 2.725 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -6.865 12.619 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.956 9.476 3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.601 10.445 7.131 1.00 0.00 H new ATOM 859 N ASN A 51 -2.558 12.681 1.618 1.00 0.00 N ATOM 860 CA ASN A 51 -1.963 12.352 0.333 1.00 0.00 C ATOM 861 C ASN A 51 -0.509 12.829 0.313 1.00 0.00 C ATOM 862 O ASN A 51 -0.190 13.831 -0.326 1.00 0.00 O ATOM 863 CB ASN A 51 -2.704 13.046 -0.811 1.00 0.00 C ATOM 864 CG ASN A 51 -4.166 12.597 -0.869 1.00 0.00 C ATOM 865 OD1 ASN A 51 -4.852 12.844 0.242 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -4.639 12.061 -1.858 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.729 13.676 1.767 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.024 11.272 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.657 14.127 -0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.213 12.820 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.056 11.901 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.618 11.773 -1.863 1.00 0.00 H new ATOM 1023 N SER A 61 11.961 3.562 -10.508 1.00 0.00 N ATOM 1024 CA SER A 61 12.903 2.460 -10.407 1.00 0.00 C ATOM 1025 C SER A 61 12.147 1.134 -10.302 1.00 0.00 C ATOM 1026 O SER A 61 11.047 0.998 -10.835 1.00 0.00 O ATOM 1027 CB SER A 61 13.831 2.638 -9.204 1.00 0.00 C ATOM 1028 OG SER A 61 14.293 3.981 -9.080 1.00 0.00 O ATOM 0 HA SER A 61 13.517 2.451 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.304 2.350 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.685 1.968 -9.303 1.00 0.00 H new ATOM 0 HG SER A 61 13.669 4.585 -9.535 1.00 0.00 H new ATOM 1034 N TRP A 62 12.768 0.189 -9.611 1.00 0.00 N ATOM 1035 CA TRP A 62 12.168 -1.122 -9.430 1.00 0.00 C ATOM 1036 C TRP A 62 10.872 -0.943 -8.638 1.00 0.00 C ATOM 1037 O TRP A 62 10.555 0.161 -8.200 1.00 0.00 O ATOM 1038 CB TRP A 62 13.150 -2.087 -8.761 1.00 0.00 C ATOM 1039 CG TRP A 62 14.504 -2.184 -9.466 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.618 -1.482 -9.214 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.845 -3.067 -10.555 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.647 -1.846 -10.058 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.162 -2.841 -10.899 1.00 0.00 C ATOM 1044 CE3 TRP A 62 14.067 -4.025 -11.228 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.817 -3.533 -11.925 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.735 -4.708 -12.251 1.00 0.00 C ATOM 1047 CH2 TRP A 62 16.060 -4.492 -12.610 1.00 0.00 C ATOM 0 H TRP A 62 13.680 0.305 -9.170 1.00 0.00 H new ATOM 0 HA TRP A 62 11.928 -1.573 -10.393 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.310 -1.770 -7.731 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.700 -3.079 -8.723 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.700 -0.726 -8.447 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.590 -1.457 -10.064 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.035 -4.219 -10.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.850 -3.338 -12.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.182 -5.456 -12.800 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.504 -5.061 -13.413 1.00 0.00 H new ATOM 1058 N THR A 63 10.157 -2.047 -8.477 1.00 0.00 N ATOM 1059 CA THR A 63 8.902 -2.026 -7.745 1.00 0.00 C ATOM 1060 C THR A 63 8.859 -3.169 -6.728 1.00 0.00 C ATOM 1061 O THR A 63 9.889 -3.761 -6.410 1.00 0.00 O ATOM 1062 CB THR A 63 7.760 -2.074 -8.762 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.146 -3.104 -9.669 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.697 -0.816 -9.631 1.00 0.00 C ATOM 0 H THR A 63 10.423 -2.962 -8.841 1.00 0.00 H new ATOM 0 HA THR A 63 8.799 -1.110 -7.163 1.00 0.00 H new ATOM 0 HB THR A 63 6.812 -2.201 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.589 -3.057 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.870 -0.901 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.545 0.057 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.632 -0.707 -10.181 1.00 0.00 H new ATOM 1072 N GLU A 64 7.655 -3.445 -6.247 1.00 0.00 N ATOM 1073 CA GLU A 64 7.464 -4.506 -5.273 1.00 0.00 C ATOM 1074 C GLU A 64 7.578 -5.874 -5.950 1.00 0.00 C ATOM 1075 O GLU A 64 8.619 -6.525 -5.870 1.00 0.00 O ATOM 1076 CB GLU A 64 6.119 -4.358 -4.558 1.00 0.00 C ATOM 1077 CG GLU A 64 6.269 -3.544 -3.272 1.00 0.00 C ATOM 1078 CD GLU A 64 6.852 -4.399 -2.146 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.340 -5.525 -1.965 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.797 -3.908 -1.491 1.00 0.00 O ATOM 0 H GLU A 64 6.803 -2.952 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 64 8.249 -4.428 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.403 -3.871 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.717 -5.344 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.916 -2.686 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.298 -3.152 -2.970 1.00 0.00 H new ATOM 1087 N GLU A 65 6.493 -6.269 -6.600 1.00 0.00 N ATOM 1088 CA GLU A 65 6.459 -7.548 -7.289 1.00 0.00 C ATOM 1089 C GLU A 65 7.756 -7.765 -8.071 1.00 0.00 C ATOM 1090 O GLU A 65 8.304 -8.866 -8.078 1.00 0.00 O ATOM 1091 CB GLU A 65 5.241 -7.641 -8.211 1.00 0.00 C ATOM 1092 CG GLU A 65 4.819 -6.255 -8.703 1.00 0.00 C ATOM 1093 CD GLU A 65 4.385 -6.303 -10.170 1.00 0.00 C ATOM 1094 OE1 GLU A 65 5.291 -6.273 -11.031 1.00 0.00 O ATOM 1095 OE2 GLU A 65 3.158 -6.368 -10.397 1.00 0.00 O ATOM 0 H GLU A 65 5.632 -5.726 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 65 6.371 -8.338 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.474 -8.278 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.413 -8.110 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.999 -5.881 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.648 -5.556 -8.588 1.00 0.00 H new ATOM 1102 N GLU A 66 8.210 -6.697 -8.710 1.00 0.00 N ATOM 1103 CA GLU A 66 9.432 -6.757 -9.493 1.00 0.00 C ATOM 1104 C GLU A 66 10.612 -7.156 -8.605 1.00 0.00 C ATOM 1105 O GLU A 66 11.506 -7.879 -9.042 1.00 0.00 O ATOM 1106 CB GLU A 66 9.700 -5.424 -10.194 1.00 0.00 C ATOM 1107 CG GLU A 66 8.671 -5.168 -11.297 1.00 0.00 C ATOM 1108 CD GLU A 66 9.141 -4.057 -12.239 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.341 -4.081 -12.590 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.291 -3.209 -12.586 1.00 0.00 O ATOM 0 H GLU A 66 7.753 -5.785 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 66 9.309 -7.517 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.668 -4.613 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.703 -5.429 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.505 -6.084 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.716 -4.891 -10.851 1.00 0.00 H new ATOM 1117 N ASP A 67 10.577 -6.667 -7.374 1.00 0.00 N ATOM 1118 CA ASP A 67 11.632 -6.964 -6.420 1.00 0.00 C ATOM 1119 C ASP A 67 11.700 -8.476 -6.195 1.00 0.00 C ATOM 1120 O ASP A 67 12.760 -9.082 -6.342 1.00 0.00 O ATOM 1121 CB ASP A 67 11.359 -6.297 -5.071 1.00 0.00 C ATOM 1122 CG ASP A 67 12.608 -5.912 -4.275 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.315 -6.847 -3.840 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.828 -4.691 -4.120 1.00 0.00 O ATOM 0 H ASP A 67 9.834 -6.067 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 67 12.570 -6.585 -6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.764 -5.400 -5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.754 -6.971 -4.465 1.00 0.00 H new ATOM 1129 N ARG A 68 10.555 -9.041 -5.841 1.00 0.00 N ATOM 1130 CA ARG A 68 10.470 -10.470 -5.594 1.00 0.00 C ATOM 1131 C ARG A 68 10.834 -11.250 -6.859 1.00 0.00 C ATOM 1132 O ARG A 68 11.751 -12.069 -6.845 1.00 0.00 O ATOM 1133 CB ARG A 68 9.064 -10.869 -5.144 1.00 0.00 C ATOM 1134 CG ARG A 68 8.934 -10.797 -3.621 1.00 0.00 C ATOM 1135 CD ARG A 68 8.334 -12.087 -3.060 1.00 0.00 C ATOM 1136 NE ARG A 68 9.305 -13.196 -3.190 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.070 -14.452 -2.785 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.896 -14.766 -2.221 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.010 -15.394 -2.944 1.00 0.00 N ATOM 0 H ARG A 68 9.678 -8.534 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 68 11.175 -10.711 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.330 -10.210 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.843 -11.881 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.914 -10.624 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.306 -9.950 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.067 -11.948 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.416 -12.333 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 68 10.210 -12.992 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.181 -14.049 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.718 -15.722 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.904 -15.155 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.831 -16.350 -2.636 1.00 0.00 H new ATOM 1153 N ILE A 69 10.096 -10.968 -7.922 1.00 0.00 N ATOM 1154 CA ILE A 69 10.329 -11.632 -9.193 1.00 0.00 C ATOM 1155 C ILE A 69 11.830 -11.864 -9.375 1.00 0.00 C ATOM 1156 O ILE A 69 12.245 -12.913 -9.865 1.00 0.00 O ATOM 1157 CB ILE A 69 9.686 -10.844 -10.336 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.160 -10.864 -10.225 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.168 -11.357 -11.695 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.530 -9.812 -11.140 1.00 0.00 C ATOM 0 H ILE A 69 9.336 -10.288 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 69 9.851 -12.611 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 69 10.002 -9.804 -10.254 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.785 -11.853 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.864 -10.677 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.696 -10.780 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.251 -11.249 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.901 -12.408 -11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.445 -9.847 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.888 -8.822 -10.857 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.808 -10.016 -12.174 1.00 0.00 H new ATOM 1172 N ILE A 70 12.604 -10.867 -8.970 1.00 0.00 N ATOM 1173 CA ILE A 70 14.050 -10.949 -9.082 1.00 0.00 C ATOM 1174 C ILE A 70 14.569 -12.041 -8.144 1.00 0.00 C ATOM 1175 O ILE A 70 15.019 -13.092 -8.598 1.00 0.00 O ATOM 1176 CB ILE A 70 14.685 -9.578 -8.840 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.989 -8.497 -9.670 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.192 -9.618 -9.098 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.909 -7.980 -10.778 1.00 0.00 C ATOM 0 H ILE A 70 12.256 -9.998 -8.564 1.00 0.00 H new ATOM 0 HA ILE A 70 14.338 -11.234 -10.094 1.00 0.00 H new ATOM 0 HB ILE A 70 14.546 -9.318 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.077 -8.901 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.693 -7.671 -9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.618 -8.631 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.657 -10.341 -8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.377 -9.911 -10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.390 -7.213 -11.353 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.809 -7.555 -10.334 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.184 -8.804 -11.437 1.00 0.00 H new ATOM 1191 N PHE A 71 14.488 -11.755 -6.853 1.00 0.00 N ATOM 1192 CA PHE A 71 14.943 -12.700 -5.848 1.00 0.00 C ATOM 1193 C PHE A 71 14.383 -14.098 -6.115 1.00 0.00 C ATOM 1194 O PHE A 71 14.923 -15.091 -5.630 1.00 0.00 O ATOM 1195 CB PHE A 71 14.421 -12.203 -4.498 1.00 0.00 C ATOM 1196 CG PHE A 71 14.341 -13.290 -3.424 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.380 -14.249 -3.497 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.231 -13.297 -2.395 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.305 -15.258 -2.500 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.156 -14.305 -1.398 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.195 -15.264 -1.472 1.00 0.00 C ATOM 0 H PHE A 71 14.114 -10.882 -6.480 1.00 0.00 H new ATOM 0 HA PHE A 71 16.031 -12.765 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.069 -11.402 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.430 -11.772 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.673 -14.244 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.995 -12.536 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.542 -16.020 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.862 -14.310 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.139 -16.031 -0.714 1.00 0.00 H new ATOM 1211 N GLU A 72 13.305 -14.131 -6.886 1.00 0.00 N ATOM 1212 CA GLU A 72 12.665 -15.392 -7.223 1.00 0.00 C ATOM 1213 C GLU A 72 13.377 -16.047 -8.408 1.00 0.00 C ATOM 1214 O GLU A 72 13.968 -17.117 -8.268 1.00 0.00 O ATOM 1215 CB GLU A 72 11.178 -15.189 -7.520 1.00 0.00 C ATOM 1216 CG GLU A 72 10.726 -16.073 -8.684 1.00 0.00 C ATOM 1217 CD GLU A 72 9.210 -16.279 -8.659 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.703 -16.633 -7.573 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.592 -16.077 -9.727 1.00 0.00 O ATOM 0 H GLU A 72 12.859 -13.306 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 72 12.742 -16.059 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.591 -15.423 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.991 -14.142 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.019 -15.615 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.229 -17.039 -8.629 1.00 0.00 H new ATOM 1226 N ALA A 73 13.296 -15.379 -9.550 1.00 0.00 N ATOM 1227 CA ALA A 73 13.924 -15.884 -10.758 1.00 0.00 C ATOM 1228 C ALA A 73 15.406 -16.150 -10.485 1.00 0.00 C ATOM 1229 O ALA A 73 16.045 -16.918 -11.202 1.00 0.00 O ATOM 1230 CB ALA A 73 13.712 -14.886 -11.899 1.00 0.00 C ATOM 0 H ALA A 73 12.805 -14.492 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 73 13.470 -16.828 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.183 -15.265 -12.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.644 -14.754 -12.073 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.157 -13.928 -11.632 1.00 0.00 H new ATOM 1236 N HIS A 74 15.909 -15.500 -9.445 1.00 0.00 N ATOM 1237 CA HIS A 74 17.303 -15.658 -9.068 1.00 0.00 C ATOM 1238 C HIS A 74 17.494 -16.997 -8.354 1.00 0.00 C ATOM 1239 O HIS A 74 18.621 -17.458 -8.181 1.00 0.00 O ATOM 1240 CB HIS A 74 17.777 -14.468 -8.231 1.00 0.00 C ATOM 1241 CG HIS A 74 19.275 -14.281 -8.222 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.084 -14.762 -7.207 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.102 -13.663 -9.114 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.339 -14.441 -7.485 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.348 -13.760 -8.667 1.00 0.00 N ATOM 0 H HIS A 74 15.376 -14.863 -8.852 1.00 0.00 H new ATOM 0 HA HIS A 74 17.926 -15.671 -9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.310 -13.560 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.431 -14.598 -7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.795 -13.177 -10.028 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.203 -14.677 -6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.176 -13.387 -9.131 1.00 0.00 H new ATOM 1253 N LYS A 75 16.374 -17.585 -7.959 1.00 0.00 N ATOM 1254 CA LYS A 75 16.404 -18.863 -7.268 1.00 0.00 C ATOM 1255 C LYS A 75 15.986 -19.972 -8.236 1.00 0.00 C ATOM 1256 O LYS A 75 15.702 -21.093 -7.817 1.00 0.00 O ATOM 1257 CB LYS A 75 15.554 -18.805 -5.997 1.00 0.00 C ATOM 1258 CG LYS A 75 14.156 -19.374 -6.245 1.00 0.00 C ATOM 1259 CD LYS A 75 13.152 -18.828 -5.228 1.00 0.00 C ATOM 1260 CE LYS A 75 12.758 -19.904 -4.214 1.00 0.00 C ATOM 1261 NZ LYS A 75 13.944 -20.363 -3.458 1.00 0.00 N ATOM 0 H LYS A 75 15.441 -17.200 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 75 17.417 -19.093 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.044 -19.368 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.475 -17.773 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.831 -19.121 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.186 -20.462 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.585 -17.974 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.263 -18.469 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.012 -19.507 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.299 -20.748 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.638 -20.949 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.558 -20.924 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.471 -19.539 -3.104 1.00 0.00 H new ATOM 1275 N VAL A 76 15.962 -19.620 -9.513 1.00 0.00 N ATOM 1276 CA VAL A 76 15.584 -20.571 -10.544 1.00 0.00 C ATOM 1277 C VAL A 76 16.764 -20.783 -11.494 1.00 0.00 C ATOM 1278 O VAL A 76 16.993 -21.894 -11.968 1.00 0.00 O ATOM 1279 CB VAL A 76 14.319 -20.091 -11.260 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.496 -21.275 -11.772 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.480 -19.193 -10.349 1.00 0.00 C ATOM 0 H VAL A 76 16.198 -18.689 -9.857 1.00 0.00 H new ATOM 0 HA VAL A 76 15.345 -21.538 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 76 14.627 -19.499 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.603 -20.906 -12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.094 -21.858 -12.473 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.204 -21.905 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.587 -18.866 -10.882 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.187 -19.750 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.067 -18.322 -10.056 1.00 0.00 H new ATOM 1291 N LEU A 77 17.484 -19.698 -11.744 1.00 0.00 N ATOM 1292 CA LEU A 77 18.635 -19.752 -12.629 1.00 0.00 C ATOM 1293 C LEU A 77 19.887 -19.331 -11.856 1.00 0.00 C ATOM 1294 O LEU A 77 20.760 -20.153 -11.587 1.00 0.00 O ATOM 1295 CB LEU A 77 18.382 -18.921 -13.888 1.00 0.00 C ATOM 1296 CG LEU A 77 16.920 -18.784 -14.319 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.313 -17.482 -13.792 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.782 -18.907 -15.837 1.00 0.00 C ATOM 0 H LEU A 77 17.292 -18.777 -11.349 1.00 0.00 H new ATOM 0 HA LEU A 77 18.801 -20.772 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.788 -17.922 -13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.943 -19.365 -14.711 1.00 0.00 H new ATOM 0 HG LEU A 77 16.355 -19.605 -13.877 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.274 -17.409 -14.112 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.358 -17.474 -12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.874 -16.634 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.733 -18.806 -16.116 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.363 -18.122 -16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.151 -19.881 -16.158 1.00 0.00 H new ATOM 1310 N GLY A 78 19.933 -18.049 -11.521 1.00 0.00 N ATOM 1311 CA GLY A 78 21.063 -17.509 -10.784 1.00 0.00 C ATOM 1312 C GLY A 78 21.355 -16.068 -11.207 1.00 0.00 C ATOM 1313 O GLY A 78 20.551 -15.170 -10.962 1.00 0.00 O ATOM 0 H GLY A 78 19.206 -17.370 -11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.854 -17.543 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.944 -18.128 -10.956 1.00 0.00 H new ATOM 1317 N ASN A 79 22.508 -15.892 -11.836 1.00 0.00 N ATOM 1318 CA ASN A 79 22.916 -14.576 -12.296 1.00 0.00 C ATOM 1319 C ASN A 79 22.427 -14.367 -13.731 1.00 0.00 C ATOM 1320 O ASN A 79 22.948 -13.517 -14.450 1.00 0.00 O ATOM 1321 CB ASN A 79 24.440 -14.439 -12.292 1.00 0.00 C ATOM 1322 CG ASN A 79 25.111 -15.790 -12.035 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.939 -16.410 -10.999 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.884 -16.209 -13.033 1.00 0.00 N ATOM 0 H ASN A 79 23.172 -16.639 -12.038 1.00 0.00 H new ATOM 0 HA ASN A 79 22.485 -13.835 -11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.775 -14.038 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.743 -13.727 -11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.376 -17.099 -12.958 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.984 -15.640 -13.874 1.00 0.00 H new ATOM 1331 N ARG A 80 21.431 -15.158 -14.103 1.00 0.00 N ATOM 1332 CA ARG A 80 20.865 -15.070 -15.438 1.00 0.00 C ATOM 1333 C ARG A 80 20.031 -13.795 -15.579 1.00 0.00 C ATOM 1334 O ARG A 80 18.853 -13.855 -15.929 1.00 0.00 O ATOM 1335 CB ARG A 80 19.985 -16.283 -15.744 1.00 0.00 C ATOM 1336 CG ARG A 80 20.394 -16.939 -17.065 1.00 0.00 C ATOM 1337 CD ARG A 80 19.169 -17.445 -17.828 1.00 0.00 C ATOM 1338 NE ARG A 80 19.484 -18.727 -18.498 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.288 -18.839 -19.564 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.863 -17.748 -20.088 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.517 -20.043 -20.107 1.00 0.00 N ATOM 0 H ARG A 80 21.002 -15.863 -13.503 1.00 0.00 H new ATOM 0 HA ARG A 80 21.692 -15.047 -16.147 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.065 -17.008 -14.934 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.941 -15.975 -15.795 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.938 -16.221 -17.679 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.073 -17.769 -16.868 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.333 -17.580 -17.142 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.859 -16.706 -18.567 1.00 0.00 H new ATOM 0 HE ARG A 80 19.063 -19.578 -18.125 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.689 -16.832 -19.675 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.475 -17.834 -20.899 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.079 -20.874 -19.709 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.129 -20.128 -20.919 1.00 0.00 H new ATOM 1355 N TRP A 81 20.674 -12.671 -15.298 1.00 0.00 N ATOM 1356 CA TRP A 81 20.006 -11.384 -15.389 1.00 0.00 C ATOM 1357 C TRP A 81 19.353 -11.287 -16.769 1.00 0.00 C ATOM 1358 O TRP A 81 18.261 -10.737 -16.905 1.00 0.00 O ATOM 1359 CB TRP A 81 20.982 -10.239 -15.107 1.00 0.00 C ATOM 1360 CG TRP A 81 22.033 -10.565 -14.045 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.360 -10.669 -14.201 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.790 -10.825 -12.646 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.987 -10.977 -13.011 1.00 0.00 N ATOM 1364 CE2 TRP A 81 23.002 -11.074 -12.035 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.586 -10.849 -11.921 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.128 -11.366 -10.672 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.728 -11.142 -10.559 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.941 -11.395 -9.929 1.00 0.00 C ATOM 0 H TRP A 81 21.651 -12.625 -15.007 1.00 0.00 H new ATOM 0 HA TRP A 81 19.229 -11.298 -14.630 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.488 -9.970 -16.034 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.417 -9.364 -14.787 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.874 -10.529 -15.140 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.989 -11.109 -12.873 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.627 -10.657 -12.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 24.089 -11.559 -10.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.833 -11.174 -9.956 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.968 -11.613 -8.872 1.00 0.00 H new ATOM 1379 N ALA A 82 20.048 -11.829 -17.757 1.00 0.00 N ATOM 1380 CA ALA A 82 19.549 -11.810 -19.122 1.00 0.00 C ATOM 1381 C ALA A 82 18.147 -12.422 -19.156 1.00 0.00 C ATOM 1382 O ALA A 82 17.353 -12.114 -20.043 1.00 0.00 O ATOM 1383 CB ALA A 82 20.530 -12.549 -20.035 1.00 0.00 C ATOM 0 H ALA A 82 20.953 -12.284 -17.640 1.00 0.00 H new ATOM 0 HA ALA A 82 19.471 -10.786 -19.488 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.156 -12.535 -21.059 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.502 -12.058 -19.997 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.632 -13.581 -19.700 1.00 0.00 H new ATOM 1389 N GLU A 83 17.885 -13.277 -18.178 1.00 0.00 N ATOM 1390 CA GLU A 83 16.593 -13.934 -18.085 1.00 0.00 C ATOM 1391 C GLU A 83 15.709 -13.223 -17.058 1.00 0.00 C ATOM 1392 O GLU A 83 14.511 -13.050 -17.279 1.00 0.00 O ATOM 1393 CB GLU A 83 16.755 -15.415 -17.737 1.00 0.00 C ATOM 1394 CG GLU A 83 16.535 -16.295 -18.969 1.00 0.00 C ATOM 1395 CD GLU A 83 15.044 -16.447 -19.277 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.330 -15.431 -19.136 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.653 -17.575 -19.644 1.00 0.00 O ATOM 0 H GLU A 83 18.546 -13.530 -17.443 1.00 0.00 H new ATOM 0 HA GLU A 83 16.106 -13.874 -19.058 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.752 -15.590 -17.334 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.043 -15.689 -16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.044 -15.858 -19.828 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.977 -17.277 -18.802 1.00 0.00 H new ATOM 1404 N ILE A 84 16.333 -12.830 -15.958 1.00 0.00 N ATOM 1405 CA ILE A 84 15.618 -12.142 -14.896 1.00 0.00 C ATOM 1406 C ILE A 84 14.771 -11.021 -15.502 1.00 0.00 C ATOM 1407 O ILE A 84 13.611 -10.845 -15.130 1.00 0.00 O ATOM 1408 CB ILE A 84 16.592 -11.663 -13.818 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.360 -12.839 -13.211 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.866 -10.841 -12.750 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.591 -13.451 -12.039 1.00 0.00 C ATOM 0 H ILE A 84 17.327 -12.975 -15.779 1.00 0.00 H new ATOM 0 HA ILE A 84 14.933 -12.824 -14.393 1.00 0.00 H new ATOM 0 HB ILE A 84 17.325 -11.007 -14.287 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.531 -13.598 -13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.339 -12.502 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.581 -10.513 -11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.402 -9.970 -13.214 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.097 -11.454 -12.279 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.159 -14.285 -11.626 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.442 -12.696 -11.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.622 -13.809 -12.387 1.00 0.00 H new ATOM 1423 N ALA A 85 15.382 -10.293 -16.424 1.00 0.00 N ATOM 1424 CA ALA A 85 14.698 -9.194 -17.085 1.00 0.00 C ATOM 1425 C ALA A 85 13.610 -9.754 -18.003 1.00 0.00 C ATOM 1426 O ALA A 85 12.534 -9.170 -18.125 1.00 0.00 O ATOM 1427 CB ALA A 85 15.717 -8.340 -17.842 1.00 0.00 C ATOM 0 H ALA A 85 16.344 -10.442 -16.730 1.00 0.00 H new ATOM 0 HA ALA A 85 14.212 -8.549 -16.353 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.204 -7.516 -18.338 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.450 -7.942 -17.141 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.223 -8.953 -18.587 1.00 0.00 H new ATOM 1433 N LYS A 86 13.927 -10.881 -18.624 1.00 0.00 N ATOM 1434 CA LYS A 86 12.990 -11.526 -19.528 1.00 0.00 C ATOM 1435 C LYS A 86 11.683 -11.809 -18.783 1.00 0.00 C ATOM 1436 O LYS A 86 10.602 -11.718 -19.362 1.00 0.00 O ATOM 1437 CB LYS A 86 13.621 -12.770 -20.156 1.00 0.00 C ATOM 1438 CG LYS A 86 14.414 -12.407 -21.413 1.00 0.00 C ATOM 1439 CD LYS A 86 15.169 -13.622 -21.955 1.00 0.00 C ATOM 1440 CE LYS A 86 14.974 -13.759 -23.467 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.857 -14.816 -24.009 1.00 0.00 N ATOM 0 H LYS A 86 14.819 -11.364 -18.519 1.00 0.00 H new ATOM 0 HA LYS A 86 12.747 -10.865 -20.360 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.279 -13.253 -19.433 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.842 -13.489 -20.408 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.737 -12.025 -22.177 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.120 -11.608 -21.184 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.231 -13.525 -21.729 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.818 -14.525 -21.456 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.933 -13.999 -23.685 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.192 -12.809 -23.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.713 -14.896 -25.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.849 -14.571 -23.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.630 -15.724 -23.555 1.00 0.00 H new ATOM 1455 N LEU A 87 11.827 -12.148 -17.510 1.00 0.00 N ATOM 1456 CA LEU A 87 10.671 -12.445 -16.680 1.00 0.00 C ATOM 1457 C LEU A 87 9.960 -11.140 -16.318 1.00 0.00 C ATOM 1458 O LEU A 87 8.807 -11.155 -15.890 1.00 0.00 O ATOM 1459 CB LEU A 87 11.085 -13.277 -15.465 1.00 0.00 C ATOM 1460 CG LEU A 87 11.520 -14.715 -15.754 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.641 -15.149 -14.808 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.326 -15.671 -15.703 1.00 0.00 C ATOM 0 H LEU A 87 12.726 -12.224 -17.033 1.00 0.00 H new ATOM 0 HA LEU A 87 9.955 -13.057 -17.228 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.905 -12.765 -14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.249 -13.305 -14.766 1.00 0.00 H new ATOM 0 HG LEU A 87 11.920 -14.753 -16.767 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.932 -16.175 -15.035 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.501 -14.491 -14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.291 -15.090 -13.778 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.664 -16.686 -15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.874 -15.636 -14.712 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.589 -15.373 -16.449 1.00 0.00 H new ATOM 1474 N LEU A 88 10.677 -10.041 -16.503 1.00 0.00 N ATOM 1475 CA LEU A 88 10.129 -8.730 -16.201 1.00 0.00 C ATOM 1476 C LEU A 88 9.550 -8.117 -17.478 1.00 0.00 C ATOM 1477 O LEU A 88 9.824 -8.593 -18.578 1.00 0.00 O ATOM 1478 CB LEU A 88 11.181 -7.852 -15.521 1.00 0.00 C ATOM 1479 CG LEU A 88 11.232 -7.928 -13.993 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.530 -7.319 -13.457 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.995 -7.278 -13.371 1.00 0.00 C ATOM 0 H LEU A 88 11.633 -10.032 -16.858 1.00 0.00 H new ATOM 0 HA LEU A 88 9.310 -8.816 -15.487 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.161 -8.125 -15.912 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.001 -6.816 -15.808 1.00 0.00 H new ATOM 0 HG LEU A 88 11.225 -8.979 -13.702 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.541 -7.386 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.382 -7.864 -13.863 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.592 -6.273 -13.757 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.056 -7.345 -12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.947 -6.230 -13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.100 -7.795 -13.717 1.00 0.00 H new ATOM 1493 N PRO A 89 8.738 -7.043 -17.284 1.00 0.00 N ATOM 1494 CA PRO A 89 8.118 -6.361 -18.407 1.00 0.00 C ATOM 1495 C PRO A 89 9.137 -5.500 -19.155 1.00 0.00 C ATOM 1496 O PRO A 89 8.790 -4.816 -20.117 1.00 0.00 O ATOM 1497 CB PRO A 89 6.987 -5.549 -17.798 1.00 0.00 C ATOM 1498 CG PRO A 89 7.304 -5.439 -16.315 1.00 0.00 C ATOM 1499 CD PRO A 89 8.391 -6.452 -15.995 1.00 0.00 C ATOM 0 HA PRO A 89 7.735 -7.051 -19.159 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.923 -4.563 -18.258 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.026 -6.038 -17.957 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.638 -4.431 -16.070 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.413 -5.634 -15.719 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.255 -5.973 -15.533 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.034 -7.208 -15.296 1.00 0.00 H new ATOM 1507 N GLY A 90 10.375 -5.561 -18.686 1.00 0.00 N ATOM 1508 CA GLY A 90 11.446 -4.795 -19.299 1.00 0.00 C ATOM 1509 C GLY A 90 12.298 -4.096 -18.236 1.00 0.00 C ATOM 1510 O GLY A 90 11.927 -3.033 -17.739 1.00 0.00 O ATOM 0 H GLY A 90 10.660 -6.129 -17.888 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.074 -5.455 -19.897 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.025 -4.054 -19.978 1.00 0.00 H new ATOM 1514 N ARG A 91 13.422 -4.721 -17.920 1.00 0.00 N ATOM 1515 CA ARG A 91 14.329 -4.172 -16.926 1.00 0.00 C ATOM 1516 C ARG A 91 15.778 -4.507 -17.287 1.00 0.00 C ATOM 1517 O ARG A 91 16.668 -4.417 -16.443 1.00 0.00 O ATOM 1518 CB ARG A 91 14.017 -4.722 -15.533 1.00 0.00 C ATOM 1519 CG ARG A 91 13.225 -3.707 -14.707 1.00 0.00 C ATOM 1520 CD ARG A 91 14.083 -2.485 -14.371 1.00 0.00 C ATOM 1521 NE ARG A 91 13.264 -1.469 -13.672 1.00 0.00 N ATOM 1522 CZ ARG A 91 12.387 -0.661 -14.283 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.208 -0.746 -15.609 1.00 0.00 N ATOM 1524 NH2 ARG A 91 11.688 0.231 -13.569 1.00 0.00 N ATOM 0 H ARG A 91 13.726 -5.602 -18.334 1.00 0.00 H new ATOM 0 HA ARG A 91 14.195 -3.090 -16.916 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.447 -5.647 -15.623 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.946 -4.969 -15.019 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.340 -3.393 -15.261 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.876 -4.175 -13.787 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.923 -2.782 -13.743 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.501 -2.062 -15.284 1.00 0.00 H new ATOM 0 HE ARG A 91 13.374 -1.378 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.739 -1.426 -16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.540 -0.131 -16.074 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.823 0.295 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.020 0.846 -14.034 1.00 0.00 H new ATOM 1538 N THR A 92 15.969 -4.886 -18.542 1.00 0.00 N ATOM 1539 CA THR A 92 17.294 -5.235 -19.025 1.00 0.00 C ATOM 1540 C THR A 92 18.002 -6.151 -18.025 1.00 0.00 C ATOM 1541 O THR A 92 17.419 -6.540 -17.013 1.00 0.00 O ATOM 1542 CB THR A 92 18.054 -3.936 -19.302 1.00 0.00 C ATOM 1543 OG1 THR A 92 17.648 -3.066 -18.249 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.570 -3.234 -20.572 1.00 0.00 C ATOM 0 H THR A 92 15.228 -4.959 -19.239 1.00 0.00 H new ATOM 0 HA THR A 92 17.239 -5.801 -19.955 1.00 0.00 H new ATOM 0 HB THR A 92 19.119 -4.150 -19.389 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.786 -3.510 -17.386 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.142 -2.318 -20.722 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.710 -3.894 -21.428 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.513 -2.989 -20.472 1.00 0.00 H new ATOM 1552 N ASP A 93 19.248 -6.470 -18.342 1.00 0.00 N ATOM 1553 CA ASP A 93 20.041 -7.334 -17.484 1.00 0.00 C ATOM 1554 C ASP A 93 20.929 -6.473 -16.583 1.00 0.00 C ATOM 1555 O ASP A 93 20.862 -6.577 -15.359 1.00 0.00 O ATOM 1556 CB ASP A 93 20.950 -8.246 -18.310 1.00 0.00 C ATOM 1557 CG ASP A 93 21.513 -7.616 -19.585 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.704 -7.388 -20.511 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.740 -7.375 -19.606 1.00 0.00 O ATOM 0 H ASP A 93 19.728 -6.146 -19.181 1.00 0.00 H new ATOM 0 HA ASP A 93 19.357 -7.945 -16.895 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.782 -8.568 -17.684 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.391 -9.141 -18.582 1.00 0.00 H new ATOM 1564 N ASN A 94 21.739 -5.643 -17.222 1.00 0.00 N ATOM 1565 CA ASN A 94 22.639 -4.766 -16.493 1.00 0.00 C ATOM 1566 C ASN A 94 21.891 -4.143 -15.312 1.00 0.00 C ATOM 1567 O ASN A 94 22.490 -3.852 -14.278 1.00 0.00 O ATOM 1568 CB ASN A 94 23.143 -3.629 -17.385 1.00 0.00 C ATOM 1569 CG ASN A 94 22.140 -3.321 -18.499 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.028 -2.878 -18.263 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.594 -3.578 -19.722 1.00 0.00 N ATOM 0 H ASN A 94 21.791 -5.559 -18.237 1.00 0.00 H new ATOM 0 HA ASN A 94 23.487 -5.361 -16.152 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.309 -2.736 -16.783 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.104 -3.903 -17.821 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.000 -3.405 -20.533 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.536 -3.948 -19.849 1.00 0.00 H new ATOM 1578 N ALA A 95 20.594 -3.957 -15.506 1.00 0.00 N ATOM 1579 CA ALA A 95 19.758 -3.375 -14.470 1.00 0.00 C ATOM 1580 C ALA A 95 19.648 -4.354 -13.300 1.00 0.00 C ATOM 1581 O ALA A 95 20.094 -4.057 -12.193 1.00 0.00 O ATOM 1582 CB ALA A 95 18.393 -3.013 -15.058 1.00 0.00 C ATOM 0 H ALA A 95 20.101 -4.199 -16.366 1.00 0.00 H new ATOM 0 HA ALA A 95 20.203 -2.455 -14.090 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.766 -2.576 -14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.524 -2.293 -15.865 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.915 -3.912 -15.448 1.00 0.00 H new ATOM 1588 N VAL A 96 19.051 -5.502 -13.585 1.00 0.00 N ATOM 1589 CA VAL A 96 18.876 -6.527 -12.570 1.00 0.00 C ATOM 1590 C VAL A 96 20.231 -6.850 -11.938 1.00 0.00 C ATOM 1591 O VAL A 96 20.402 -6.723 -10.727 1.00 0.00 O ATOM 1592 CB VAL A 96 18.191 -7.753 -13.177 1.00 0.00 C ATOM 1593 CG1 VAL A 96 18.024 -8.860 -12.133 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.845 -7.378 -13.799 1.00 0.00 C ATOM 0 H VAL A 96 18.682 -5.745 -14.504 1.00 0.00 H new ATOM 0 HA VAL A 96 18.224 -6.168 -11.774 1.00 0.00 H new ATOM 0 HB VAL A 96 18.831 -8.135 -13.972 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.535 -9.720 -12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.003 -9.157 -11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.415 -8.492 -11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.380 -8.268 -14.223 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.194 -6.959 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.001 -6.640 -14.586 1.00 0.00 H new ATOM 1604 N LYS A 97 21.161 -7.261 -12.788 1.00 0.00 N ATOM 1605 CA LYS A 97 22.496 -7.603 -12.329 1.00 0.00 C ATOM 1606 C LYS A 97 22.930 -6.609 -11.249 1.00 0.00 C ATOM 1607 O LYS A 97 23.496 -7.002 -10.230 1.00 0.00 O ATOM 1608 CB LYS A 97 23.464 -7.688 -13.511 1.00 0.00 C ATOM 1609 CG LYS A 97 24.864 -8.092 -13.045 1.00 0.00 C ATOM 1610 CD LYS A 97 25.755 -8.453 -14.235 1.00 0.00 C ATOM 1611 CE LYS A 97 26.204 -7.198 -14.985 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.676 -7.057 -14.928 1.00 0.00 N ATOM 0 H LYS A 97 21.016 -7.365 -13.792 1.00 0.00 H new ATOM 0 HA LYS A 97 22.499 -8.593 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 97 23.095 -8.413 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.510 -6.724 -14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.315 -7.273 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.794 -8.943 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.628 -9.004 -13.886 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.213 -9.112 -14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.878 -7.252 -16.024 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.732 -6.318 -14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.963 -6.200 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.980 -6.983 -13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.122 -7.889 -15.366 1.00 0.00 H new ATOM 1626 N ASN A 98 22.647 -5.341 -11.510 1.00 0.00 N ATOM 1627 CA ASN A 98 23.001 -4.288 -10.573 1.00 0.00 C ATOM 1628 C ASN A 98 22.037 -4.323 -9.385 1.00 0.00 C ATOM 1629 O ASN A 98 22.465 -4.283 -8.233 1.00 0.00 O ATOM 1630 CB ASN A 98 22.895 -2.910 -11.228 1.00 0.00 C ATOM 1631 CG ASN A 98 23.953 -1.955 -10.671 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.893 -1.515 -9.535 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.922 -1.660 -11.533 1.00 0.00 N ATOM 0 H ASN A 98 22.177 -5.019 -12.356 1.00 0.00 H new ATOM 0 HA ASN A 98 24.028 -4.455 -10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.018 -3.006 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.901 -2.497 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.676 -1.030 -11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.912 -2.064 -12.470 1.00 0.00 H new ATOM 1640 N HIS A 99 20.754 -4.397 -9.708 1.00 0.00 N ATOM 1641 CA HIS A 99 19.726 -4.438 -8.682 1.00 0.00 C ATOM 1642 C HIS A 99 20.117 -5.451 -7.603 1.00 0.00 C ATOM 1643 O HIS A 99 19.641 -5.372 -6.472 1.00 0.00 O ATOM 1644 CB HIS A 99 18.355 -4.727 -9.297 1.00 0.00 C ATOM 1645 CG HIS A 99 17.192 -4.355 -8.409 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.321 -3.512 -7.319 1.00 0.00 N ATOM 1647 CD2 HIS A 99 15.879 -4.720 -8.460 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.133 -3.383 -6.747 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.240 -4.133 -7.456 1.00 0.00 N ATOM 0 H HIS A 99 20.403 -4.430 -10.665 1.00 0.00 H new ATOM 0 HA HIS A 99 19.647 -3.462 -8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.269 -4.184 -10.238 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.292 -5.789 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.434 -5.376 -9.194 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.910 -2.789 -5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.246 -4.227 -7.248 1.00 0.00 H new ATOM 1657 N TRP A 100 20.978 -6.378 -7.993 1.00 0.00 N ATOM 1658 CA TRP A 100 21.439 -7.405 -7.074 1.00 0.00 C ATOM 1659 C TRP A 100 22.335 -6.737 -6.029 1.00 0.00 C ATOM 1660 O TRP A 100 22.111 -6.885 -4.828 1.00 0.00 O ATOM 1661 CB TRP A 100 22.138 -8.540 -7.824 1.00 0.00 C ATOM 1662 CG TRP A 100 21.963 -9.915 -7.178 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.907 -10.831 -6.917 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.726 -10.498 -6.717 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.370 -11.956 -6.325 1.00 0.00 N ATOM 1666 CE2 TRP A 100 21.001 -11.747 -6.200 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.416 -9.986 -6.738 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 20.019 -12.588 -5.664 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.446 -10.839 -6.199 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.708 -12.099 -5.673 1.00 0.00 C ATOM 0 H TRP A 100 21.369 -6.440 -8.933 1.00 0.00 H new ATOM 0 HA TRP A 100 20.596 -7.871 -6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.754 -8.578 -8.844 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.202 -8.315 -7.892 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.956 -10.704 -7.142 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.883 -12.788 -6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.178 -9.012 -7.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.260 -13.562 -5.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.423 -10.494 -6.191 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.903 -12.698 -5.273 1.00 0.00 H new ATOM 1681 N ASN A 101 23.331 -6.018 -6.524 1.00 0.00 N ATOM 1682 CA ASN A 101 24.263 -5.327 -5.648 1.00 0.00 C ATOM 1683 C ASN A 101 23.713 -3.936 -5.322 1.00 0.00 C ATOM 1684 O ASN A 101 24.283 -3.217 -4.503 1.00 0.00 O ATOM 1685 CB ASN A 101 25.625 -5.151 -6.322 1.00 0.00 C ATOM 1686 CG ASN A 101 26.365 -6.486 -6.419 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.766 -7.076 -5.430 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.524 -6.927 -7.664 1.00 0.00 N ATOM 0 H ASN A 101 23.514 -5.899 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 101 24.383 -5.924 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.490 -4.733 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.225 -4.439 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.007 -7.809 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.163 -6.383 -8.448 1.00 0.00 H new ATOM 1695 N SER A 102 22.614 -3.600 -5.980 1.00 0.00 N ATOM 1696 CA SER A 102 21.981 -2.309 -5.770 1.00 0.00 C ATOM 1697 C SER A 102 21.299 -2.277 -4.401 1.00 0.00 C ATOM 1698 O SER A 102 21.783 -1.623 -3.478 1.00 0.00 O ATOM 1699 CB SER A 102 20.967 -2.006 -6.875 1.00 0.00 C ATOM 1700 OG SER A 102 20.828 -0.606 -7.102 1.00 0.00 O ATOM 0 H SER A 102 22.145 -4.199 -6.659 1.00 0.00 H new ATOM 0 HA SER A 102 22.753 -1.541 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.280 -2.494 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.999 -2.427 -6.604 1.00 0.00 H new ATOM 0 HG SER A 102 20.174 -0.454 -7.815 1.00 0.00 H new ATOM 1706 N THR A 103 20.187 -2.991 -4.312 1.00 0.00 N ATOM 1707 CA THR A 103 19.433 -3.052 -3.071 1.00 0.00 C ATOM 1708 C THR A 103 18.988 -4.488 -2.788 1.00 0.00 C ATOM 1709 O THR A 103 18.465 -4.779 -1.714 1.00 0.00 O ATOM 1710 CB THR A 103 18.269 -2.065 -3.175 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.845 -0.811 -2.820 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.203 -2.302 -2.104 1.00 0.00 C ATOM 0 H THR A 103 19.789 -3.533 -5.079 1.00 0.00 H new ATOM 0 HA THR A 103 20.049 -2.761 -2.220 1.00 0.00 H new ATOM 0 HB THR A 103 17.814 -2.143 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.159 -0.112 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.400 -1.575 -2.223 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.799 -3.309 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.649 -2.191 -1.116 1.00 0.00 H new ATOM 1720 N ILE A 104 19.212 -5.348 -3.771 1.00 0.00 N ATOM 1721 CA ILE A 104 18.841 -6.747 -3.641 1.00 0.00 C ATOM 1722 C ILE A 104 20.071 -7.561 -3.233 1.00 0.00 C ATOM 1723 O ILE A 104 20.213 -8.717 -3.628 1.00 0.00 O ATOM 1724 CB ILE A 104 18.171 -7.245 -4.923 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.327 -6.142 -5.565 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.355 -8.511 -4.659 1.00 0.00 C ATOM 1727 CD1 ILE A 104 15.888 -6.182 -5.048 1.00 0.00 C ATOM 0 H ILE A 104 19.646 -5.103 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 104 18.099 -6.873 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 104 18.952 -7.509 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.768 -5.169 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.331 -6.260 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 104 16.889 -8.844 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.011 -9.295 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 104 16.582 -8.298 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.310 -5.388 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.442 -7.147 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.886 -6.039 -3.967 1.00 0.00 H new ATOM 1739 N LYS A 105 20.928 -6.925 -2.448 1.00 0.00 N ATOM 1740 CA LYS A 105 22.140 -7.576 -1.982 1.00 0.00 C ATOM 1741 C LYS A 105 22.101 -7.686 -0.457 1.00 0.00 C ATOM 1742 O LYS A 105 23.112 -7.471 0.211 1.00 0.00 O ATOM 1743 CB LYS A 105 23.377 -6.849 -2.514 1.00 0.00 C ATOM 1744 CG LYS A 105 23.085 -5.363 -2.739 1.00 0.00 C ATOM 1745 CD LYS A 105 22.697 -4.677 -1.428 1.00 0.00 C ATOM 1746 CE LYS A 105 23.940 -4.274 -0.631 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.602 -3.234 0.366 1.00 0.00 N ATOM 0 H LYS A 105 20.807 -5.966 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 105 22.201 -8.591 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.200 -6.959 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.698 -7.306 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.963 -4.876 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.279 -5.253 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.094 -3.794 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.080 -5.348 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.355 -5.147 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.708 -3.901 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.457 -2.972 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.227 -2.395 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.885 -3.603 1.023 1.00 0.00 H new