USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 540 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 61 SER OG : rot -51:sc= 2.06 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 171:sc= 0.911 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc=-0.00258 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 53 GLN : amide:sc= -2.27 K(o=-1.9,f=0.018) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.327 K(o=-1.9,f=-1.2) USER MOD Set 4.1: A 9 ASN : amide:sc= 0.0869 X(o=0.87,f=0.61) USER MOD Set 4.2: A 12 LYS NZ :NH3+ 166:sc= 0.78 (180deg=0.638) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.815) USER MOD Single : A 36 SER OG : rot 180:sc= 0.449 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.573 K(o=0.57,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0.00489 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.67 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 1.15 (180deg=0.0184) USER MOD Single : A 73 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.269 X(o=0.27,f=-0.14) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 1 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -23.637 -12.191 -16.636 1.00 0.00 N ATOM 77 CA MET A 1 -24.395 -13.348 -16.138 1.00 0.00 C ATOM 78 C MET A 1 -23.499 -14.596 -16.044 1.00 0.00 C ATOM 79 O MET A 1 -22.914 -15.024 -17.042 1.00 0.00 O ATOM 80 CB MET A 1 -25.615 -13.566 -17.046 1.00 0.00 C ATOM 81 CG MET A 1 -26.577 -14.628 -16.504 1.00 0.00 C ATOM 82 SD MET A 1 -28.055 -14.851 -17.533 1.00 0.00 S ATOM 83 CE MET A 1 -28.943 -16.077 -16.535 1.00 0.00 C ATOM 0 H1 MET A 1 -24.264 -11.363 -16.690 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.849 -11.987 -15.988 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.261 -12.403 -17.582 1.00 0.00 H new ATOM 0 HA MET A 1 -24.749 -13.155 -15.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.150 -12.623 -17.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.275 -13.863 -18.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.050 -15.579 -16.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.884 -14.350 -15.496 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.884 -16.331 -17.023 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.333 -16.974 -16.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.147 -15.663 -15.547 1.00 0.00 H new ATOM 93 N ASP A 2 -23.408 -15.192 -14.852 1.00 0.00 N ATOM 94 CA ASP A 2 -22.540 -16.342 -14.540 1.00 0.00 C ATOM 95 C ASP A 2 -23.227 -17.356 -13.592 1.00 0.00 C ATOM 96 O ASP A 2 -23.997 -16.947 -12.716 1.00 0.00 O ATOM 97 CB ASP A 2 -21.234 -15.845 -13.900 1.00 0.00 C ATOM 98 CG ASP A 2 -20.305 -15.157 -14.913 1.00 0.00 C ATOM 99 OD1 ASP A 2 -20.252 -13.904 -14.946 1.00 0.00 O ATOM 100 OD2 ASP A 2 -19.601 -15.877 -15.663 1.00 0.00 O ATOM 0 H ASP A 2 -23.953 -14.881 -14.048 1.00 0.00 H new ATOM 0 HA ASP A 2 -22.330 -16.857 -15.477 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -21.470 -15.147 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.712 -16.688 -13.447 1.00 0.00 H new ATOM 105 N PRO A 3 -22.947 -18.671 -13.716 1.00 0.00 N ATOM 106 CA PRO A 3 -23.613 -19.715 -12.927 1.00 0.00 C ATOM 107 C PRO A 3 -23.083 -19.893 -11.503 1.00 0.00 C ATOM 108 O PRO A 3 -23.805 -20.376 -10.628 1.00 0.00 O ATOM 109 CB PRO A 3 -23.463 -20.993 -13.760 1.00 0.00 C ATOM 110 CG PRO A 3 -22.133 -20.783 -14.484 1.00 0.00 C ATOM 111 CD PRO A 3 -22.120 -19.279 -14.754 1.00 0.00 C ATOM 0 HA PRO A 3 -24.653 -19.438 -12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -23.443 -21.883 -13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.288 -21.116 -14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.287 -21.090 -13.870 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -22.081 -21.359 -15.408 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -21.104 -18.887 -14.721 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -22.515 -19.058 -15.746 1.00 0.00 H new ATOM 119 N LEU A 4 -21.848 -19.466 -11.264 1.00 0.00 N ATOM 120 CA LEU A 4 -21.096 -19.655 -10.017 1.00 0.00 C ATOM 121 C LEU A 4 -20.843 -18.322 -9.285 1.00 0.00 C ATOM 122 O LEU A 4 -19.753 -18.062 -8.781 1.00 0.00 O ATOM 123 CB LEU A 4 -19.810 -20.461 -10.307 1.00 0.00 C ATOM 124 CG LEU A 4 -20.027 -21.899 -10.812 1.00 0.00 C ATOM 125 CD1 LEU A 4 -18.673 -22.533 -11.131 1.00 0.00 C ATOM 126 CD2 LEU A 4 -20.734 -22.783 -9.781 1.00 0.00 C ATOM 0 H LEU A 4 -21.313 -18.953 -11.965 1.00 0.00 H new ATOM 0 HA LEU A 4 -21.696 -20.240 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -19.222 -19.919 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.214 -20.501 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.658 -21.834 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -18.823 -23.552 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.170 -21.948 -11.901 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.059 -22.552 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.862 -23.786 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.134 -22.834 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.711 -22.359 -9.547 1.00 0.00 H new ATOM 138 N ASP A 5 -21.865 -17.464 -9.236 1.00 0.00 N ATOM 139 CA ASP A 5 -21.799 -16.127 -8.620 1.00 0.00 C ATOM 140 C ASP A 5 -22.588 -15.986 -7.301 1.00 0.00 C ATOM 141 O ASP A 5 -22.629 -14.905 -6.709 1.00 0.00 O ATOM 142 CB ASP A 5 -22.237 -15.078 -9.662 1.00 0.00 C ATOM 143 CG ASP A 5 -21.108 -14.085 -9.983 1.00 0.00 C ATOM 144 OD1 ASP A 5 -20.127 -14.492 -10.649 1.00 0.00 O ATOM 145 OD2 ASP A 5 -21.209 -12.900 -9.585 1.00 0.00 O ATOM 0 H ASP A 5 -22.781 -17.679 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.763 -15.960 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.548 -15.582 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -23.104 -14.534 -9.287 1.00 0.00 H new ATOM 150 N LYS A 6 -23.236 -17.073 -6.854 1.00 0.00 N ATOM 151 CA LYS A 6 -24.294 -17.054 -5.816 1.00 0.00 C ATOM 152 C LYS A 6 -24.021 -18.008 -4.652 1.00 0.00 C ATOM 153 O LYS A 6 -23.985 -17.593 -3.495 1.00 0.00 O ATOM 154 CB LYS A 6 -25.689 -17.340 -6.422 1.00 0.00 C ATOM 155 CG LYS A 6 -25.949 -16.718 -7.806 1.00 0.00 C ATOM 156 CD LYS A 6 -25.699 -17.679 -8.985 1.00 0.00 C ATOM 157 CE LYS A 6 -26.775 -18.773 -9.068 1.00 0.00 C ATOM 158 NZ LYS A 6 -26.565 -19.657 -10.244 1.00 0.00 N ATOM 0 H LYS A 6 -23.040 -18.010 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 6 -24.283 -16.043 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.819 -18.420 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -26.448 -16.975 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -26.981 -16.370 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -25.312 -15.842 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -25.682 -17.114 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.718 -18.142 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.760 -19.370 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.760 -18.311 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -27.110 -20.534 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -26.883 -19.170 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.554 -19.887 -10.329 1.00 0.00 H new ATOM 172 N ILE A 7 -23.830 -19.287 -4.987 1.00 0.00 N ATOM 173 CA ILE A 7 -23.685 -20.420 -4.054 1.00 0.00 C ATOM 174 C ILE A 7 -22.383 -21.211 -4.275 1.00 0.00 C ATOM 175 O ILE A 7 -22.237 -22.320 -3.760 1.00 0.00 O ATOM 176 CB ILE A 7 -24.956 -21.312 -4.077 1.00 0.00 C ATOM 177 CG1 ILE A 7 -25.417 -21.785 -5.478 1.00 0.00 C ATOM 178 CG2 ILE A 7 -26.123 -20.556 -3.418 1.00 0.00 C ATOM 179 CD1 ILE A 7 -24.430 -22.684 -6.231 1.00 0.00 C ATOM 0 H ILE A 7 -23.769 -19.580 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 7 -23.595 -20.013 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.675 -22.212 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.359 -22.322 -5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.620 -20.906 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -27.016 -21.181 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -25.865 -20.317 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -26.316 -19.634 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.852 -22.957 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -23.492 -22.149 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.243 -23.587 -5.649 1.00 0.00 H new ATOM 191 N ILE A 8 -21.447 -20.650 -5.055 1.00 0.00 N ATOM 192 CA ILE A 8 -20.154 -21.265 -5.431 1.00 0.00 C ATOM 193 C ILE A 8 -19.428 -21.946 -4.241 1.00 0.00 C ATOM 194 O ILE A 8 -18.931 -21.284 -3.324 1.00 0.00 O ATOM 195 CB ILE A 8 -19.257 -20.231 -6.164 1.00 0.00 C ATOM 196 CG1 ILE A 8 -17.982 -20.924 -6.705 1.00 0.00 C ATOM 197 CG2 ILE A 8 -18.929 -18.974 -5.332 1.00 0.00 C ATOM 198 CD1 ILE A 8 -17.000 -20.008 -7.450 1.00 0.00 C ATOM 0 H ILE A 8 -21.569 -19.721 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 8 -20.372 -22.077 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 8 -19.839 -19.852 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.458 -21.387 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.283 -21.728 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.299 -18.304 -5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -19.854 -18.462 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -18.402 -19.266 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.143 -20.591 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.499 -19.564 -8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.660 -19.218 -6.781 1.00 0.00 H new ATOM 210 N ASN A 9 -19.361 -23.286 -4.245 1.00 0.00 N ATOM 211 CA ASN A 9 -18.752 -24.070 -3.153 1.00 0.00 C ATOM 212 C ASN A 9 -18.138 -25.421 -3.578 1.00 0.00 C ATOM 213 O ASN A 9 -17.833 -26.259 -2.728 1.00 0.00 O ATOM 214 CB ASN A 9 -19.776 -24.204 -2.001 1.00 0.00 C ATOM 215 CG ASN A 9 -19.127 -24.188 -0.625 1.00 0.00 C ATOM 216 OD1 ASN A 9 -19.070 -23.168 0.045 1.00 0.00 O ATOM 217 ND2 ASN A 9 -18.583 -25.292 -0.170 1.00 0.00 N ATOM 0 H ASN A 9 -19.727 -23.860 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.881 -23.516 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.497 -23.389 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -20.333 -25.133 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.117 -25.295 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.626 -26.148 -0.723 1.00 0.00 H new ATOM 224 N ASP A 10 -17.920 -25.653 -4.876 1.00 0.00 N ATOM 225 CA ASP A 10 -17.535 -26.976 -5.401 1.00 0.00 C ATOM 226 C ASP A 10 -16.018 -27.274 -5.383 1.00 0.00 C ATOM 227 O ASP A 10 -15.548 -28.272 -5.934 1.00 0.00 O ATOM 228 CB ASP A 10 -18.187 -27.169 -6.781 1.00 0.00 C ATOM 229 CG ASP A 10 -18.181 -28.632 -7.266 1.00 0.00 C ATOM 230 OD1 ASP A 10 -18.663 -29.521 -6.520 1.00 0.00 O ATOM 231 OD2 ASP A 10 -17.752 -28.890 -8.416 1.00 0.00 O ATOM 0 H ASP A 10 -18.004 -24.934 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.920 -27.729 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.216 -26.812 -6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.664 -26.551 -7.511 1.00 0.00 H new ATOM 236 N ILE A 11 -15.246 -26.397 -4.737 1.00 0.00 N ATOM 237 CA ILE A 11 -13.768 -26.406 -4.715 1.00 0.00 C ATOM 238 C ILE A 11 -13.153 -25.983 -3.369 1.00 0.00 C ATOM 239 O ILE A 11 -11.991 -25.579 -3.298 1.00 0.00 O ATOM 240 CB ILE A 11 -13.246 -25.632 -5.960 1.00 0.00 C ATOM 241 CG1 ILE A 11 -11.772 -25.875 -6.356 1.00 0.00 C ATOM 242 CG2 ILE A 11 -13.503 -24.118 -5.840 1.00 0.00 C ATOM 243 CD1 ILE A 11 -11.408 -27.354 -6.540 1.00 0.00 C ATOM 0 H ILE A 11 -15.640 -25.630 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 11 -13.418 -27.435 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.835 -26.060 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.564 -25.343 -7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.126 -25.445 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.124 -23.613 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.574 -23.937 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.993 -23.731 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.357 -27.438 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.582 -27.890 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.026 -27.786 -7.327 1.00 0.00 H new ATOM 255 N LYS A 12 -13.927 -26.104 -2.280 1.00 0.00 N ATOM 256 CA LYS A 12 -13.483 -25.756 -0.916 1.00 0.00 C ATOM 257 C LYS A 12 -13.486 -26.929 0.073 1.00 0.00 C ATOM 258 O LYS A 12 -12.527 -27.070 0.833 1.00 0.00 O ATOM 259 CB LYS A 12 -14.307 -24.564 -0.391 1.00 0.00 C ATOM 260 CG LYS A 12 -13.873 -23.237 -1.044 1.00 0.00 C ATOM 261 CD LYS A 12 -14.781 -22.055 -0.667 1.00 0.00 C ATOM 262 CE LYS A 12 -16.107 -22.128 -1.433 1.00 0.00 C ATOM 263 NZ LYS A 12 -17.013 -20.988 -1.131 1.00 0.00 N ATOM 0 H LYS A 12 -14.886 -26.448 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.434 -25.472 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.365 -24.738 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.193 -24.491 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.849 -23.010 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.872 -23.355 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.973 -22.065 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.276 -21.115 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.902 -22.149 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.612 -23.062 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.777 -20.955 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.422 -21.111 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.475 -20.099 -1.163 1.00 0.00 H new ATOM 608 N LEU A 35 -9.862 3.901 0.102 1.00 0.00 N ATOM 609 CA LEU A 35 -9.060 4.330 1.257 1.00 0.00 C ATOM 610 C LEU A 35 -9.660 5.603 1.889 1.00 0.00 C ATOM 611 O LEU A 35 -10.380 6.353 1.221 1.00 0.00 O ATOM 612 CB LEU A 35 -7.620 4.575 0.762 1.00 0.00 C ATOM 613 CG LEU A 35 -6.894 3.303 0.265 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.062 3.605 -0.980 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.960 2.736 1.334 1.00 0.00 C ATOM 0 HA LEU A 35 -9.059 3.562 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.645 5.305 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.040 5.018 1.572 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.668 2.571 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.560 2.696 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.714 3.970 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.317 4.365 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.467 1.843 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.209 3.482 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.537 2.478 2.222 1.00 0.00 H new ATOM 627 N SER A 36 -9.341 5.878 3.159 1.00 0.00 N ATOM 628 CA SER A 36 -9.631 7.186 3.784 1.00 0.00 C ATOM 629 C SER A 36 -8.757 8.294 3.181 1.00 0.00 C ATOM 630 O SER A 36 -7.804 8.008 2.457 1.00 0.00 O ATOM 631 CB SER A 36 -9.467 7.124 5.310 1.00 0.00 C ATOM 632 OG SER A 36 -8.103 7.177 5.701 1.00 0.00 O ATOM 0 H SER A 36 -8.880 5.214 3.781 1.00 0.00 H new ATOM 0 HA SER A 36 -10.672 7.428 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.008 7.953 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.916 6.205 5.686 1.00 0.00 H new ATOM 0 HG SER A 36 -8.041 7.137 6.678 1.00 0.00 H new ATOM 638 N GLU A 37 -9.033 9.567 3.482 1.00 0.00 N ATOM 639 CA GLU A 37 -8.197 10.684 3.009 1.00 0.00 C ATOM 640 C GLU A 37 -6.727 10.523 3.446 1.00 0.00 C ATOM 641 O GLU A 37 -5.816 10.656 2.629 1.00 0.00 O ATOM 642 CB GLU A 37 -8.799 12.003 3.517 1.00 0.00 C ATOM 643 CG GLU A 37 -8.041 13.241 3.016 1.00 0.00 C ATOM 644 CD GLU A 37 -8.733 14.537 3.481 1.00 0.00 C ATOM 645 OE1 GLU A 37 -9.566 15.093 2.724 1.00 0.00 O ATOM 646 OE2 GLU A 37 -8.447 15.016 4.606 1.00 0.00 O ATOM 0 H GLU A 37 -9.829 9.854 4.052 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.190 10.689 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.839 12.067 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.799 12.000 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.016 13.219 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.987 13.223 1.927 1.00 0.00 H new ATOM 653 N GLN A 38 -6.491 10.148 4.707 1.00 0.00 N ATOM 654 CA GLN A 38 -5.149 9.906 5.243 1.00 0.00 C ATOM 655 C GLN A 38 -4.536 8.624 4.663 1.00 0.00 C ATOM 656 O GLN A 38 -3.378 8.630 4.241 1.00 0.00 O ATOM 657 CB GLN A 38 -5.239 9.833 6.777 1.00 0.00 C ATOM 658 CG GLN A 38 -3.862 9.796 7.458 1.00 0.00 C ATOM 659 CD GLN A 38 -3.953 9.265 8.886 1.00 0.00 C ATOM 660 OE1 GLN A 38 -3.986 10.007 9.860 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.010 7.959 9.067 1.00 0.00 N ATOM 0 H GLN A 38 -7.234 10.003 5.391 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.492 10.726 4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.797 10.695 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.802 8.944 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.186 9.167 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.434 10.799 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.983 7.331 8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.081 7.577 10.010 1.00 0.00 H new ATOM 670 N GLN A 39 -5.303 7.530 4.597 1.00 0.00 N ATOM 671 CA GLN A 39 -4.818 6.261 4.050 1.00 0.00 C ATOM 672 C GLN A 39 -4.467 6.380 2.561 1.00 0.00 C ATOM 673 O GLN A 39 -3.449 5.839 2.138 1.00 0.00 O ATOM 674 CB GLN A 39 -5.839 5.147 4.304 1.00 0.00 C ATOM 675 CG GLN A 39 -5.823 4.665 5.763 1.00 0.00 C ATOM 676 CD GLN A 39 -6.829 3.543 6.010 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.939 3.528 5.490 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.488 2.553 6.807 1.00 0.00 N ATOM 0 H GLN A 39 -6.270 7.500 4.919 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.895 6.000 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.837 5.507 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.628 4.306 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.822 4.316 6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.046 5.503 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.569 2.548 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.143 1.791 6.983 1.00 0.00 H new ATOM 687 N LYS A 40 -5.230 7.150 1.777 1.00 0.00 N ATOM 688 CA LYS A 40 -4.923 7.442 0.370 1.00 0.00 C ATOM 689 C LYS A 40 -3.596 8.196 0.240 1.00 0.00 C ATOM 690 O LYS A 40 -2.783 7.815 -0.596 1.00 0.00 O ATOM 691 CB LYS A 40 -6.100 8.212 -0.254 1.00 0.00 C ATOM 692 CG LYS A 40 -5.882 8.551 -1.739 1.00 0.00 C ATOM 693 CD LYS A 40 -7.097 9.266 -2.356 1.00 0.00 C ATOM 694 CE LYS A 40 -8.319 8.360 -2.594 1.00 0.00 C ATOM 695 NZ LYS A 40 -8.135 7.435 -3.745 1.00 0.00 N ATOM 0 H LYS A 40 -6.088 7.594 2.104 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.797 6.509 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.009 7.619 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.258 9.135 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.000 9.184 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.682 7.634 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.391 10.086 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.798 9.708 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.515 7.778 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.197 8.981 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.987 6.849 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.975 7.987 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.314 6.821 -3.569 1.00 0.00 H new ATOM 709 N ILE A 41 -3.332 9.198 1.089 1.00 0.00 N ATOM 710 CA ILE A 41 -2.050 9.929 1.079 1.00 0.00 C ATOM 711 C ILE A 41 -0.888 9.013 1.472 1.00 0.00 C ATOM 712 O ILE A 41 0.130 9.039 0.795 1.00 0.00 O ATOM 713 CB ILE A 41 -2.076 11.171 1.990 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.143 12.190 1.524 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.707 11.879 2.049 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.588 13.150 2.635 1.00 0.00 C ATOM 0 H ILE A 41 -3.990 9.525 1.796 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.899 10.273 0.056 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.327 10.808 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.744 12.769 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.013 11.650 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.775 12.748 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.043 11.190 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.420 12.200 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.337 13.838 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.016 12.579 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.728 13.715 2.993 1.00 0.00 H new ATOM 728 N ILE A 42 -1.010 8.185 2.515 1.00 0.00 N ATOM 729 CA ILE A 42 0.084 7.288 2.936 1.00 0.00 C ATOM 730 C ILE A 42 0.373 6.250 1.844 1.00 0.00 C ATOM 731 O ILE A 42 1.531 6.033 1.483 1.00 0.00 O ATOM 732 CB ILE A 42 -0.264 6.597 4.269 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.377 7.601 5.435 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.778 5.515 4.620 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.248 7.035 6.561 1.00 0.00 C ATOM 0 H ILE A 42 -1.852 8.114 3.086 1.00 0.00 H new ATOM 0 HA ILE A 42 0.983 7.885 3.089 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.238 6.129 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.617 7.832 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.804 8.537 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.509 5.043 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.800 4.762 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.762 5.974 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.312 7.761 7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.248 6.828 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.805 6.112 6.935 1.00 0.00 H new ATOM 747 N LEU A 43 -0.682 5.649 1.286 1.00 0.00 N ATOM 748 CA LEU A 43 -0.609 4.683 0.186 1.00 0.00 C ATOM 749 C LEU A 43 0.105 5.304 -1.024 1.00 0.00 C ATOM 750 O LEU A 43 1.057 4.731 -1.560 1.00 0.00 O ATOM 751 CB LEU A 43 -2.054 4.220 -0.124 1.00 0.00 C ATOM 752 CG LEU A 43 -2.295 3.193 -1.246 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.264 3.825 -2.637 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.360 1.984 -1.170 1.00 0.00 C ATOM 0 H LEU A 43 -1.637 5.826 1.596 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.017 3.809 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.468 3.804 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.638 5.109 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.305 2.821 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.439 3.056 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.041 4.587 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.290 4.283 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.583 1.300 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.326 2.319 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.505 1.471 -0.219 1.00 0.00 H new ATOM 766 N ALA A 44 -0.314 6.510 -1.411 1.00 0.00 N ATOM 767 CA ALA A 44 0.252 7.260 -2.520 1.00 0.00 C ATOM 768 C ALA A 44 1.701 7.688 -2.263 1.00 0.00 C ATOM 769 O ALA A 44 2.567 7.379 -3.077 1.00 0.00 O ATOM 770 CB ALA A 44 -0.640 8.474 -2.772 1.00 0.00 C ATOM 0 H ALA A 44 -1.078 7.000 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 44 0.284 6.618 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.237 9.056 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.648 8.140 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.672 9.094 -1.876 1.00 0.00 H new ATOM 776 N GLU A 45 1.996 8.347 -1.137 1.00 0.00 N ATOM 777 CA GLU A 45 3.354 8.810 -0.809 1.00 0.00 C ATOM 778 C GLU A 45 4.372 7.662 -0.696 1.00 0.00 C ATOM 779 O GLU A 45 5.555 7.870 -0.962 1.00 0.00 O ATOM 780 CB GLU A 45 3.335 9.626 0.495 1.00 0.00 C ATOM 781 CG GLU A 45 2.692 11.015 0.344 1.00 0.00 C ATOM 782 CD GLU A 45 3.583 11.978 -0.465 1.00 0.00 C ATOM 783 OE1 GLU A 45 4.498 12.606 0.125 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.372 12.126 -1.693 1.00 0.00 O ATOM 0 H GLU A 45 1.302 8.576 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 45 3.678 9.439 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.793 9.065 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.357 9.745 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.725 10.915 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.505 11.437 1.331 1.00 0.00 H new ATOM 791 N TYR A 46 3.929 6.443 -0.369 1.00 0.00 N ATOM 792 CA TYR A 46 4.774 5.249 -0.330 1.00 0.00 C ATOM 793 C TYR A 46 5.179 4.804 -1.752 1.00 0.00 C ATOM 794 O TYR A 46 6.360 4.819 -2.100 1.00 0.00 O ATOM 795 CB TYR A 46 4.025 4.172 0.474 1.00 0.00 C ATOM 796 CG TYR A 46 4.718 2.851 0.741 1.00 0.00 C ATOM 797 CD1 TYR A 46 3.937 1.774 1.203 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.107 2.683 0.568 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.533 0.525 1.462 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.707 1.439 0.838 1.00 0.00 C ATOM 801 CZ TYR A 46 5.919 0.354 1.272 1.00 0.00 C ATOM 802 OH TYR A 46 6.490 -0.858 1.492 1.00 0.00 O ATOM 0 H TYR A 46 2.957 6.258 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 46 5.720 5.452 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.757 4.605 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.093 3.957 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.877 1.907 1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.712 3.511 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.929 -0.301 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.773 1.316 0.713 1.00 0.00 H new ATOM 0 HH TYR A 46 7.452 -0.804 1.314 1.00 0.00 H new ATOM 812 N ILE A 47 4.206 4.500 -2.616 1.00 0.00 N ATOM 813 CA ILE A 47 4.383 4.117 -4.025 1.00 0.00 C ATOM 814 C ILE A 47 5.080 5.220 -4.838 1.00 0.00 C ATOM 815 O ILE A 47 5.879 4.923 -5.722 1.00 0.00 O ATOM 816 CB ILE A 47 2.977 3.817 -4.567 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.533 2.465 -3.964 1.00 0.00 C ATOM 818 CG2 ILE A 47 2.892 3.790 -6.103 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.025 2.210 -4.046 1.00 0.00 C ATOM 0 H ILE A 47 3.224 4.514 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 47 5.032 3.245 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 47 2.311 4.627 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.056 1.660 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.841 2.426 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.868 3.572 -6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.190 4.760 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.558 3.019 -6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.795 1.241 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.494 2.993 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.712 2.214 -5.090 1.00 0.00 H new ATOM 831 N ALA A 48 4.827 6.489 -4.526 1.00 0.00 N ATOM 832 CA ALA A 48 5.469 7.632 -5.172 1.00 0.00 C ATOM 833 C ALA A 48 6.963 7.761 -4.810 1.00 0.00 C ATOM 834 O ALA A 48 7.741 8.318 -5.587 1.00 0.00 O ATOM 835 CB ALA A 48 4.688 8.885 -4.773 1.00 0.00 C ATOM 0 H ALA A 48 4.158 6.757 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 48 5.448 7.493 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.141 9.760 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.654 8.791 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.711 8.998 -3.689 1.00 0.00 H new ATOM 841 N GLU A 49 7.377 7.227 -3.655 1.00 0.00 N ATOM 842 CA GLU A 49 8.763 7.251 -3.179 1.00 0.00 C ATOM 843 C GLU A 49 9.564 5.997 -3.580 1.00 0.00 C ATOM 844 O GLU A 49 10.778 6.109 -3.777 1.00 0.00 O ATOM 845 CB GLU A 49 8.759 7.485 -1.657 1.00 0.00 C ATOM 846 CG GLU A 49 10.162 7.689 -1.071 1.00 0.00 C ATOM 847 CD GLU A 49 10.088 8.178 0.389 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.157 9.410 0.625 1.00 0.00 O ATOM 849 OE2 GLU A 49 9.981 7.336 1.315 1.00 0.00 O ATOM 0 H GLU A 49 6.742 6.755 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 49 9.283 8.074 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.148 8.359 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.288 6.633 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.718 6.753 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.709 8.414 -1.673 1.00 0.00 H new ATOM 856 N VAL A 50 8.927 4.822 -3.741 1.00 0.00 N ATOM 857 CA VAL A 50 9.642 3.556 -4.010 1.00 0.00 C ATOM 858 C VAL A 50 9.192 2.841 -5.282 1.00 0.00 C ATOM 859 O VAL A 50 9.967 2.072 -5.837 1.00 0.00 O ATOM 860 CB VAL A 50 9.605 2.595 -2.800 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.005 3.291 -1.492 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.255 1.902 -2.584 1.00 0.00 C ATOM 0 H VAL A 50 7.913 4.721 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 50 10.676 3.857 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 50 10.337 1.830 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.964 2.575 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.019 3.681 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.317 4.112 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.317 1.247 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.483 2.653 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.003 1.313 -3.466 1.00 0.00 H new ATOM 872 N GLY A 51 7.980 3.087 -5.780 1.00 0.00 N ATOM 873 CA GLY A 51 7.365 2.368 -6.900 1.00 0.00 C ATOM 874 C GLY A 51 6.615 1.100 -6.471 1.00 0.00 C ATOM 875 O GLY A 51 7.031 0.379 -5.564 1.00 0.00 O ATOM 0 H GLY A 51 7.377 3.818 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.672 3.035 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.139 2.098 -7.618 1.00 0.00 H new ATOM 879 N LEU A 52 5.500 0.803 -7.146 1.00 0.00 N ATOM 880 CA LEU A 52 4.499 -0.195 -6.713 1.00 0.00 C ATOM 881 C LEU A 52 4.980 -1.665 -6.780 1.00 0.00 C ATOM 882 O LEU A 52 4.303 -2.584 -6.330 1.00 0.00 O ATOM 883 CB LEU A 52 3.211 0.041 -7.536 1.00 0.00 C ATOM 884 CG LEU A 52 1.883 -0.159 -6.774 1.00 0.00 C ATOM 885 CD1 LEU A 52 0.817 0.720 -7.416 1.00 0.00 C ATOM 886 CD2 LEU A 52 1.335 -1.584 -6.774 1.00 0.00 C ATOM 0 H LEU A 52 5.257 1.255 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 52 4.309 -0.046 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.234 1.058 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.221 -0.632 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 52 2.108 0.098 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.128 0.590 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.124 1.764 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.692 0.435 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.401 -1.615 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.152 -1.903 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.060 -2.253 -6.310 1.00 0.00 H new ATOM 898 N GLN A 53 6.177 -1.881 -7.314 1.00 0.00 N ATOM 899 CA GLN A 53 6.874 -3.180 -7.352 1.00 0.00 C ATOM 900 C GLN A 53 7.981 -3.332 -6.288 1.00 0.00 C ATOM 901 O GLN A 53 8.538 -4.422 -6.141 1.00 0.00 O ATOM 902 CB GLN A 53 7.352 -3.509 -8.781 1.00 0.00 C ATOM 903 CG GLN A 53 8.508 -2.653 -9.326 1.00 0.00 C ATOM 904 CD GLN A 53 8.100 -1.218 -9.642 1.00 0.00 C ATOM 905 OE1 GLN A 53 7.308 -0.942 -10.532 1.00 0.00 O ATOM 906 NE2 GLN A 53 8.587 -0.244 -8.905 1.00 0.00 N ATOM 0 H GLN A 53 6.716 -1.134 -7.751 1.00 0.00 H new ATOM 0 HA GLN A 53 6.139 -3.934 -7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.659 -4.555 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.503 -3.409 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.317 -2.641 -8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.901 -3.119 -10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.249 -0.452 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.303 0.720 -9.081 1.00 0.00 H new ATOM 915 N ASN A 54 8.292 -2.268 -5.532 1.00 0.00 N ATOM 916 CA ASN A 54 9.262 -2.285 -4.424 1.00 0.00 C ATOM 917 C ASN A 54 8.614 -2.202 -3.032 1.00 0.00 C ATOM 918 O ASN A 54 9.267 -2.474 -2.021 1.00 0.00 O ATOM 919 CB ASN A 54 10.295 -1.169 -4.638 1.00 0.00 C ATOM 920 CG ASN A 54 11.042 -1.303 -5.954 1.00 0.00 C ATOM 921 OD1 ASN A 54 11.657 -2.314 -6.259 1.00 0.00 O ATOM 922 ND2 ASN A 54 10.999 -0.285 -6.781 1.00 0.00 N ATOM 0 H ASN A 54 7.868 -1.352 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 54 9.760 -3.254 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.791 -0.203 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.011 -1.180 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.479 -0.337 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.485 0.558 -6.525 1.00 0.00 H new ATOM 929 N ILE A 55 7.321 -1.879 -2.984 1.00 0.00 N ATOM 930 CA ILE A 55 6.471 -2.066 -1.798 1.00 0.00 C ATOM 931 C ILE A 55 6.246 -3.557 -1.503 1.00 0.00 C ATOM 932 O ILE A 55 6.325 -4.404 -2.398 1.00 0.00 O ATOM 933 CB ILE A 55 5.122 -1.316 -1.911 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.208 -1.865 -3.025 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.351 0.187 -2.117 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.809 -1.245 -2.997 1.00 0.00 C ATOM 0 H ILE A 55 6.824 -1.474 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 55 7.009 -1.627 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 55 4.606 -1.484 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.667 -1.673 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.124 -2.947 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.389 0.694 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.907 0.590 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.919 0.346 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.208 -1.667 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.335 -1.460 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.887 -0.166 -3.130 1.00 0.00 H new ATOM 948 N THR A 56 5.910 -3.875 -0.254 1.00 0.00 N ATOM 949 CA THR A 56 5.537 -5.222 0.202 1.00 0.00 C ATOM 950 C THR A 56 4.170 -5.193 0.872 1.00 0.00 C ATOM 951 O THR A 56 3.851 -4.244 1.583 1.00 0.00 O ATOM 952 CB THR A 56 6.593 -5.801 1.165 1.00 0.00 C ATOM 953 OG1 THR A 56 7.154 -4.807 1.988 1.00 0.00 O ATOM 954 CG2 THR A 56 7.739 -6.463 0.401 1.00 0.00 C ATOM 0 H THR A 56 5.888 -3.184 0.496 1.00 0.00 H new ATOM 0 HA THR A 56 5.490 -5.871 -0.673 1.00 0.00 H new ATOM 0 HB THR A 56 6.068 -6.535 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.817 -5.212 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.466 -6.861 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.347 -7.275 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.223 -5.726 -0.240 1.00 0.00 H new ATOM 962 N ALA A 57 3.365 -6.247 0.700 1.00 0.00 N ATOM 963 CA ALA A 57 2.064 -6.401 1.348 1.00 0.00 C ATOM 964 C ALA A 57 2.209 -6.445 2.874 1.00 0.00 C ATOM 965 O ALA A 57 1.345 -5.949 3.586 1.00 0.00 O ATOM 966 CB ALA A 57 1.408 -7.687 0.831 1.00 0.00 C ATOM 0 H ALA A 57 3.607 -7.031 0.094 1.00 0.00 H new ATOM 0 HA ALA A 57 1.437 -5.543 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.435 -7.816 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.278 -7.620 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.043 -8.540 1.068 1.00 0.00 H new ATOM 972 N ILE A 58 3.336 -6.962 3.372 1.00 0.00 N ATOM 973 CA ILE A 58 3.688 -6.984 4.793 1.00 0.00 C ATOM 974 C ILE A 58 3.782 -5.544 5.293 1.00 0.00 C ATOM 975 O ILE A 58 3.047 -5.142 6.188 1.00 0.00 O ATOM 976 CB ILE A 58 5.028 -7.729 5.005 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.918 -9.266 4.839 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.565 -7.476 6.430 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.515 -9.782 3.451 1.00 0.00 C ATOM 0 H ILE A 58 4.048 -7.389 2.780 1.00 0.00 H new ATOM 0 HA ILE A 58 2.922 -7.516 5.358 1.00 0.00 H new ATOM 0 HB ILE A 58 5.694 -7.337 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.881 -9.706 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.192 -9.635 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.508 -8.007 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.727 -6.408 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.840 -7.835 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.473 -10.871 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.535 -9.385 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.250 -9.457 2.714 1.00 0.00 H new ATOM 991 N THR A 59 4.653 -4.745 4.681 1.00 0.00 N ATOM 992 CA THR A 59 4.939 -3.378 5.125 1.00 0.00 C ATOM 993 C THR A 59 3.747 -2.469 4.865 1.00 0.00 C ATOM 994 O THR A 59 3.362 -1.709 5.747 1.00 0.00 O ATOM 995 CB THR A 59 6.200 -2.879 4.416 1.00 0.00 C ATOM 996 OG1 THR A 59 7.301 -3.642 4.863 1.00 0.00 O ATOM 997 CG2 THR A 59 6.530 -1.414 4.684 1.00 0.00 C ATOM 0 H THR A 59 5.185 -5.027 3.858 1.00 0.00 H new ATOM 0 HA THR A 59 5.116 -3.367 6.200 1.00 0.00 H new ATOM 0 HB THR A 59 6.008 -2.984 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.116 -3.334 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.437 -1.141 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.705 -0.787 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.685 -1.265 5.753 1.00 0.00 H new ATOM 1005 N LEU A 60 3.082 -2.595 3.713 1.00 0.00 N ATOM 1006 CA LEU A 60 1.854 -1.867 3.404 1.00 0.00 C ATOM 1007 C LEU A 60 0.722 -2.199 4.392 1.00 0.00 C ATOM 1008 O LEU A 60 0.013 -1.287 4.820 1.00 0.00 O ATOM 1009 CB LEU A 60 1.476 -2.141 1.937 1.00 0.00 C ATOM 1010 CG LEU A 60 0.334 -1.250 1.417 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.804 0.192 1.272 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.142 -1.727 0.052 1.00 0.00 C ATOM 0 H LEU A 60 3.387 -3.214 2.962 1.00 0.00 H new ATOM 0 HA LEU A 60 2.023 -0.797 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.355 -1.992 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.185 -3.186 1.835 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.480 -1.310 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.017 0.807 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.131 0.567 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.634 0.235 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.949 -1.083 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.686 -1.687 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.504 -2.752 0.131 1.00 0.00 H new ATOM 1024 N SER A 61 0.617 -3.455 4.857 1.00 0.00 N ATOM 1025 CA SER A 61 -0.343 -3.841 5.905 1.00 0.00 C ATOM 1026 C SER A 61 -0.113 -3.135 7.248 1.00 0.00 C ATOM 1027 O SER A 61 -1.025 -3.019 8.065 1.00 0.00 O ATOM 1028 CB SER A 61 -0.449 -5.358 6.085 1.00 0.00 C ATOM 1029 OG SER A 61 0.557 -5.887 6.920 1.00 0.00 O ATOM 0 H SER A 61 1.191 -4.227 4.520 1.00 0.00 H new ATOM 0 HA SER A 61 -1.306 -3.488 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.426 -5.601 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.392 -5.839 5.108 1.00 0.00 H new ATOM 0 HG SER A 61 1.434 -5.572 6.616 1.00 0.00 H new ATOM 1035 N LYS A 62 1.094 -2.602 7.456 1.00 0.00 N ATOM 1036 CA LYS A 62 1.485 -1.821 8.641 1.00 0.00 C ATOM 1037 C LYS A 62 1.598 -0.310 8.403 1.00 0.00 C ATOM 1038 O LYS A 62 1.366 0.450 9.343 1.00 0.00 O ATOM 1039 CB LYS A 62 2.762 -2.374 9.313 1.00 0.00 C ATOM 1040 CG LYS A 62 2.504 -3.606 10.200 1.00 0.00 C ATOM 1041 CD LYS A 62 2.645 -4.926 9.437 1.00 0.00 C ATOM 1042 CE LYS A 62 1.922 -6.099 10.111 1.00 0.00 C ATOM 1043 NZ LYS A 62 0.467 -6.087 9.804 1.00 0.00 N ATOM 0 H LYS A 62 1.854 -2.704 6.784 1.00 0.00 H new ATOM 0 HA LYS A 62 0.651 -1.948 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.485 -2.637 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.214 -1.588 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.203 -3.599 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.501 -3.541 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.252 -4.798 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.703 -5.169 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.359 -7.039 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.068 -6.047 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.033 -6.969 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.019 -5.276 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.330 -6.007 8.776 1.00 0.00 H new ATOM 1057 N LYS A 63 1.852 0.153 7.170 1.00 0.00 N ATOM 1058 CA LYS A 63 1.821 1.581 6.803 1.00 0.00 C ATOM 1059 C LYS A 63 0.419 2.167 7.000 1.00 0.00 C ATOM 1060 O LYS A 63 0.269 3.315 7.413 1.00 0.00 O ATOM 1061 CB LYS A 63 2.255 1.722 5.333 1.00 0.00 C ATOM 1062 CG LYS A 63 3.735 1.372 5.070 1.00 0.00 C ATOM 1063 CD LYS A 63 4.587 2.605 4.750 1.00 0.00 C ATOM 1064 CE LYS A 63 6.027 2.200 4.417 1.00 0.00 C ATOM 1065 NZ LYS A 63 6.864 3.379 4.071 1.00 0.00 N ATOM 0 H LYS A 63 2.088 -0.459 6.389 1.00 0.00 H new ATOM 0 HA LYS A 63 2.505 2.133 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.627 1.078 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.073 2.747 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.146 0.869 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.796 0.668 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.152 3.144 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.584 3.286 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.465 1.680 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.024 1.498 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.833 3.231 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.881 3.502 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.464 4.231 4.514 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.596 1.349 6.722 1.00 0.00 N ATOM 1080 CA LEU A 64 -2.010 1.725 6.659 1.00 0.00 C ATOM 1081 C LEU A 64 -2.881 1.081 7.758 1.00 0.00 C ATOM 1082 O LEU A 64 -4.073 1.375 7.823 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.495 1.355 5.246 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.853 2.142 4.100 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -2.230 1.499 2.771 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.326 3.586 4.085 1.00 0.00 C ATOM 0 H LEU A 64 -0.449 0.359 6.525 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.110 2.794 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.308 0.293 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.575 1.499 5.202 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.773 2.126 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.774 2.058 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.872 0.470 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.314 1.509 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.851 4.116 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.408 3.613 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.058 4.066 5.026 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.301 0.242 8.628 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.985 -0.508 9.700 1.00 0.00 C ATOM 1100 C ASN A 65 -4.135 -1.409 9.183 1.00 0.00 C ATOM 1101 O ASN A 65 -5.306 -1.222 9.527 1.00 0.00 O ATOM 1102 CB ASN A 65 -3.408 0.442 10.843 1.00 0.00 C ATOM 1103 CG ASN A 65 -2.273 1.307 11.361 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -1.445 0.880 12.155 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -2.192 2.545 10.925 1.00 0.00 N ATOM 0 H ASN A 65 -1.298 0.057 8.606 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.266 -1.213 10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.214 1.086 10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.809 -0.149 11.666 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.438 3.151 11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.883 2.899 10.263 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.796 -2.378 8.327 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.722 -3.236 7.560 1.00 0.00 C ATOM 1114 C ILE A 66 -4.292 -4.714 7.578 1.00 0.00 C ATOM 1115 O ILE A 66 -3.249 -5.067 8.131 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.864 -2.712 6.105 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.624 -1.946 5.594 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -6.099 -1.804 6.011 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.484 -1.961 4.066 1.00 0.00 C ATOM 0 H ILE A 66 -2.819 -2.601 8.136 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.697 -3.186 8.046 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.969 -3.590 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.678 -0.913 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.729 -2.382 6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.202 -1.434 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.989 -2.371 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.984 -0.961 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.592 -1.405 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.398 -2.991 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.362 -1.498 3.616 1.00 0.00 H new ATOM 1131 N THR A 67 -5.093 -5.600 6.973 1.00 0.00 N ATOM 1132 CA THR A 67 -4.720 -7.016 6.791 1.00 0.00 C ATOM 1133 C THR A 67 -3.613 -7.176 5.743 1.00 0.00 C ATOM 1134 O THR A 67 -3.476 -6.367 4.818 1.00 0.00 O ATOM 1135 CB THR A 67 -5.910 -7.960 6.496 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.006 -8.292 5.131 1.00 0.00 O ATOM 1137 CG2 THR A 67 -7.285 -7.418 6.891 1.00 0.00 C ATOM 0 H THR A 67 -6.011 -5.362 6.597 1.00 0.00 H new ATOM 0 HA THR A 67 -4.333 -7.332 7.760 1.00 0.00 H new ATOM 0 HB THR A 67 -5.675 -8.826 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.770 -8.890 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.051 -8.153 6.644 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.304 -7.221 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.481 -6.493 6.348 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.841 -8.259 5.862 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.792 -8.636 4.897 1.00 0.00 C ATOM 1147 C VAL A 68 -2.379 -8.988 3.525 1.00 0.00 C ATOM 1148 O VAL A 68 -1.704 -8.814 2.516 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.939 -9.787 5.473 1.00 0.00 C ATOM 1150 CG1 VAL A 68 0.142 -10.291 4.507 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.210 -9.335 6.749 1.00 0.00 C ATOM 0 H VAL A 68 -2.924 -8.912 6.641 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.143 -7.775 4.738 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.648 -10.592 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.702 -11.099 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.328 -10.659 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.820 -9.474 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.386 -10.160 7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.443 -8.494 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.942 -9.030 7.497 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.645 -9.405 3.440 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.316 -9.703 2.168 1.00 0.00 C ATOM 1163 C GLU A 69 -4.922 -8.428 1.563 1.00 0.00 C ATOM 1164 O GLU A 69 -4.877 -8.241 0.346 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.435 -10.738 2.394 1.00 0.00 C ATOM 1166 CG GLU A 69 -4.966 -12.102 2.921 1.00 0.00 C ATOM 1167 CD GLU A 69 -4.029 -12.829 1.940 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -4.352 -12.935 0.735 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -2.942 -13.295 2.354 1.00 0.00 O ATOM 0 H GLU A 69 -4.239 -9.547 4.257 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.575 -10.106 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.156 -10.322 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.962 -10.892 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.452 -11.962 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.836 -12.729 3.118 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.430 -7.507 2.397 1.00 0.00 N ATOM 1177 CA LYS A 70 -5.995 -6.231 1.947 1.00 0.00 C ATOM 1178 C LYS A 70 -4.924 -5.350 1.308 1.00 0.00 C ATOM 1179 O LYS A 70 -5.128 -4.806 0.226 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.716 -5.513 3.092 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.814 -4.630 2.481 1.00 0.00 C ATOM 1182 CD LYS A 70 -8.257 -3.554 3.460 1.00 0.00 C ATOM 1183 CE LYS A 70 -9.343 -2.670 2.831 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.767 -1.575 3.742 1.00 0.00 N ATOM 0 H LYS A 70 -5.459 -7.630 3.409 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.739 -6.443 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.149 -6.236 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.014 -4.907 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.445 -4.165 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.668 -5.247 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.638 -4.017 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.403 -2.941 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.969 -2.243 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.207 -3.284 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.501 -1.002 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.148 -1.982 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.949 -0.973 3.966 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.746 -5.308 1.928 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.537 -4.693 1.391 1.00 0.00 C ATOM 1200 C ALA A 71 -2.114 -5.313 0.044 1.00 0.00 C ATOM 1201 O ALA A 71 -1.746 -4.612 -0.897 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.447 -4.885 2.446 1.00 0.00 C ATOM 0 H ALA A 71 -3.604 -5.717 2.852 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.713 -3.637 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.516 -4.441 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.750 -4.402 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.296 -5.950 2.624 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.229 -6.639 -0.076 1.00 0.00 N ATOM 1209 CA LYS A 72 -1.857 -7.402 -1.267 1.00 0.00 C ATOM 1210 C LYS A 72 -2.812 -7.130 -2.417 1.00 0.00 C ATOM 1211 O LYS A 72 -2.378 -7.071 -3.560 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.801 -8.879 -0.873 1.00 0.00 C ATOM 1213 CG LYS A 72 -0.889 -9.731 -1.761 1.00 0.00 C ATOM 1214 CD LYS A 72 -0.444 -10.981 -0.988 1.00 0.00 C ATOM 1215 CE LYS A 72 -1.625 -11.857 -0.573 1.00 0.00 C ATOM 1216 NZ LYS A 72 -1.178 -13.029 0.222 1.00 0.00 N ATOM 0 H LYS A 72 -2.594 -7.226 0.674 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.877 -7.095 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.459 -8.956 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.810 -9.291 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.416 -10.021 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.019 -9.152 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.238 -11.564 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.111 -10.678 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.330 -11.266 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.156 -12.199 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.300 -13.896 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.175 -12.917 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.746 -13.096 1.091 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.086 -6.864 -2.125 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.097 -6.585 -3.141 1.00 0.00 C ATOM 1232 C ASN A 73 -4.719 -5.384 -4.038 1.00 0.00 C ATOM 1233 O ASN A 73 -4.935 -5.438 -5.249 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.484 -6.453 -2.466 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.153 -5.109 -2.705 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.848 -4.914 -3.690 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -6.907 -4.137 -1.861 1.00 0.00 N ATOM 0 H ASN A 73 -4.446 -6.836 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.148 -7.426 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.136 -7.244 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.373 -6.608 -1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.297 -3.209 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.325 -4.309 -1.041 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.105 -4.341 -3.462 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.644 -3.143 -4.165 1.00 0.00 C ATOM 1246 C TYR A 74 -2.511 -3.492 -5.125 1.00 0.00 C ATOM 1247 O TYR A 74 -2.523 -3.094 -6.285 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.155 -2.089 -3.160 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.195 -1.620 -2.163 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.016 -1.907 -0.799 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.321 -0.887 -2.587 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.976 -1.498 0.145 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.284 -0.472 -1.645 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.123 -0.793 -0.280 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.073 -0.423 0.621 1.00 0.00 O ATOM 0 H TYR A 74 -3.911 -4.310 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.482 -2.737 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.307 -2.499 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.789 -1.224 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.137 -2.444 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.446 -0.644 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.836 -1.723 1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.146 0.092 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.794 0.054 0.159 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.566 -4.307 -4.654 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.418 -4.787 -5.425 1.00 0.00 C ATOM 1267 C ILE A 75 -0.910 -5.670 -6.582 1.00 0.00 C ATOM 1268 O ILE A 75 -0.528 -5.455 -7.729 1.00 0.00 O ATOM 1269 CB ILE A 75 0.582 -5.499 -4.478 1.00 0.00 C ATOM 1270 CG1 ILE A 75 1.035 -4.538 -3.347 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.803 -6.006 -5.267 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.844 -5.189 -2.219 1.00 0.00 C ATOM 0 H ILE A 75 -1.579 -4.662 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 75 0.123 -3.956 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 75 0.079 -6.355 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.634 -3.741 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.151 -4.070 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.495 -6.503 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.475 -6.711 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.305 -5.163 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.112 -4.433 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.245 -5.966 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.751 -5.631 -2.630 1.00 0.00 H new ATOM 1284 N LYS A 76 -1.839 -6.598 -6.324 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.353 -7.580 -7.288 1.00 0.00 C ATOM 1286 C LYS A 76 -3.132 -6.931 -8.434 1.00 0.00 C ATOM 1287 O LYS A 76 -3.065 -7.446 -9.548 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.227 -8.615 -6.550 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.447 -9.485 -5.545 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.764 -10.728 -6.134 1.00 0.00 C ATOM 1291 CE LYS A 76 -2.769 -11.847 -6.440 1.00 0.00 C ATOM 1292 NZ LYS A 76 -2.075 -13.131 -6.732 1.00 0.00 N ATOM 0 H LYS A 76 -2.270 -6.690 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.497 -8.078 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.024 -8.092 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.704 -9.264 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.687 -8.866 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.133 -9.806 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.238 -10.453 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.014 -11.096 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.440 -11.978 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.386 -11.562 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.780 -13.868 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.453 -13.010 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.506 -13.413 -5.908 1.00 0.00 H new ATOM 1306 N ASN A 77 -3.833 -5.810 -8.199 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.537 -5.100 -9.264 1.00 0.00 C ATOM 1308 C ASN A 77 -3.655 -4.017 -9.907 1.00 0.00 C ATOM 1309 O ASN A 77 -3.709 -3.837 -11.125 1.00 0.00 O ATOM 1310 CB ASN A 77 -5.885 -4.541 -8.775 1.00 0.00 C ATOM 1311 CG ASN A 77 -5.838 -3.231 -8.006 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.749 -2.151 -8.565 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -5.934 -3.268 -6.703 1.00 0.00 N ATOM 0 H ASN A 77 -3.924 -5.381 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.761 -5.824 -10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.532 -4.405 -9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.356 -5.292 -8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.934 -2.400 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.009 -4.165 -6.222 1.00 0.00 H new ATOM 1597 N GLU A 95 -13.521 21.282 -24.098 1.00 0.00 N ATOM 1598 CA GLU A 95 -14.687 20.394 -23.919 1.00 0.00 C ATOM 1599 C GLU A 95 -15.991 20.978 -24.505 1.00 0.00 C ATOM 1600 O GLU A 95 -16.780 20.240 -25.096 1.00 0.00 O ATOM 1601 CB GLU A 95 -14.878 20.086 -22.423 1.00 0.00 C ATOM 1602 CG GLU A 95 -13.736 19.275 -21.792 1.00 0.00 C ATOM 1603 CD GLU A 95 -13.625 17.859 -22.387 1.00 0.00 C ATOM 1604 OE1 GLU A 95 -14.579 17.055 -22.263 1.00 0.00 O ATOM 1605 OE2 GLU A 95 -12.577 17.520 -22.988 1.00 0.00 O ATOM 0 HA GLU A 95 -14.477 19.479 -24.472 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.982 21.026 -21.881 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.811 19.538 -22.293 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.794 19.803 -21.939 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.896 19.203 -20.716 1.00 0.00 H new ATOM 1612 N GLU A 96 -16.208 22.292 -24.353 1.00 0.00 N ATOM 1613 CA GLU A 96 -17.331 23.081 -24.907 1.00 0.00 C ATOM 1614 C GLU A 96 -18.710 22.409 -24.810 1.00 0.00 C ATOM 1615 O GLU A 96 -19.410 22.181 -25.804 1.00 0.00 O ATOM 1616 CB GLU A 96 -16.984 23.629 -26.304 1.00 0.00 C ATOM 1617 CG GLU A 96 -15.814 24.623 -26.233 1.00 0.00 C ATOM 1618 CD GLU A 96 -15.595 25.340 -27.578 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -14.696 24.929 -28.351 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -16.300 26.342 -27.854 1.00 0.00 O ATOM 0 H GLU A 96 -15.570 22.872 -23.809 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.453 23.942 -24.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.725 22.804 -26.968 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.857 24.120 -26.733 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.010 25.361 -25.455 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.904 24.094 -25.950 1.00 0.00 H new ATOM 1627 N VAL A 97 -19.096 22.121 -23.561 1.00 0.00 N ATOM 1628 CA VAL A 97 -20.278 21.337 -23.172 1.00 0.00 C ATOM 1629 C VAL A 97 -21.581 22.149 -23.288 1.00 0.00 C ATOM 1630 O VAL A 97 -22.269 22.434 -22.306 1.00 0.00 O ATOM 1631 CB VAL A 97 -20.093 20.707 -21.772 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -21.174 19.664 -21.457 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -18.738 19.999 -21.629 1.00 0.00 C ATOM 0 H VAL A 97 -18.566 22.444 -22.752 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.375 20.516 -23.883 1.00 0.00 H new ATOM 0 HB VAL A 97 -20.160 21.545 -21.078 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -21.002 19.250 -20.464 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -22.156 20.137 -21.488 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -21.134 18.864 -22.196 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -18.654 19.572 -20.629 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.663 19.204 -22.370 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -17.934 20.718 -21.785 1.00 0.00 H new ATOM 1643 N SER A 98 -21.881 22.592 -24.507 1.00 0.00 N ATOM 1644 CA SER A 98 -23.102 23.328 -24.869 1.00 0.00 C ATOM 1645 C SER A 98 -23.317 23.380 -26.392 1.00 0.00 C ATOM 1646 O SER A 98 -24.431 23.140 -26.864 1.00 0.00 O ATOM 1647 CB SER A 98 -23.007 24.749 -24.300 1.00 0.00 C ATOM 1648 OG SER A 98 -24.210 25.471 -24.510 1.00 0.00 O ATOM 0 H SER A 98 -21.261 22.445 -25.303 1.00 0.00 H new ATOM 0 HA SER A 98 -23.959 22.804 -24.445 1.00 0.00 H new ATOM 0 HB2 SER A 98 -22.791 24.702 -23.233 1.00 0.00 H new ATOM 0 HB3 SER A 98 -22.177 25.276 -24.770 1.00 0.00 H new ATOM 0 HG SER A 98 -24.120 26.372 -24.136 1.00 0.00 H new ATOM 1654 N SER A 99 -22.246 23.627 -27.163 1.00 0.00 N ATOM 1655 CA SER A 99 -22.311 23.854 -28.623 1.00 0.00 C ATOM 1656 C SER A 99 -21.400 22.946 -29.464 1.00 0.00 C ATOM 1657 O SER A 99 -21.673 22.758 -30.651 1.00 0.00 O ATOM 1658 CB SER A 99 -21.973 25.318 -28.940 1.00 0.00 C ATOM 1659 OG SER A 99 -22.855 26.208 -28.266 1.00 0.00 O ATOM 0 H SER A 99 -21.298 23.676 -26.790 1.00 0.00 H new ATOM 0 HA SER A 99 -23.335 23.604 -28.902 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.945 25.528 -28.645 1.00 0.00 H new ATOM 0 HB3 SER A 99 -22.037 25.484 -30.015 1.00 0.00 H new ATOM 0 HG SER A 99 -22.616 27.133 -28.484 1.00 0.00 H new ATOM 1665 N MET A 100 -20.328 22.383 -28.887 1.00 0.00 N ATOM 1666 CA MET A 100 -19.327 21.556 -29.593 1.00 0.00 C ATOM 1667 C MET A 100 -18.929 20.314 -28.769 1.00 0.00 C ATOM 1668 O MET A 100 -17.766 19.917 -28.702 1.00 0.00 O ATOM 1669 CB MET A 100 -18.118 22.411 -30.019 1.00 0.00 C ATOM 1670 CG MET A 100 -18.499 23.512 -31.017 1.00 0.00 C ATOM 1671 SD MET A 100 -17.092 24.408 -31.729 1.00 0.00 S ATOM 1672 CE MET A 100 -17.993 25.563 -32.800 1.00 0.00 C ATOM 0 H MET A 100 -20.125 22.490 -27.893 1.00 0.00 H new ATOM 0 HA MET A 100 -19.781 21.172 -30.506 1.00 0.00 H new ATOM 0 HB2 MET A 100 -17.669 22.865 -29.136 1.00 0.00 H new ATOM 0 HB3 MET A 100 -17.361 21.767 -30.466 1.00 0.00 H new ATOM 0 HG2 MET A 100 -19.076 23.066 -31.827 1.00 0.00 H new ATOM 0 HG3 MET A 100 -19.152 24.227 -30.517 1.00 0.00 H new ATOM 0 HE1 MET A 100 -17.283 26.202 -33.325 1.00 0.00 H new ATOM 0 HE2 MET A 100 -18.582 25.002 -33.526 1.00 0.00 H new ATOM 0 HE3 MET A 100 -18.657 26.179 -32.194 1.00 0.00 H new ATOM 1682 N GLU A 101 -19.923 19.698 -28.124 1.00 0.00 N ATOM 1683 CA GLU A 101 -19.788 18.549 -27.217 1.00 0.00 C ATOM 1684 C GLU A 101 -19.581 17.221 -27.989 1.00 0.00 C ATOM 1685 O GLU A 101 -20.476 16.372 -28.061 1.00 0.00 O ATOM 1686 CB GLU A 101 -21.022 18.533 -26.293 1.00 0.00 C ATOM 1687 CG GLU A 101 -20.866 17.607 -25.078 1.00 0.00 C ATOM 1688 CD GLU A 101 -22.220 17.345 -24.383 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -22.497 16.177 -24.013 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -23.015 18.297 -24.187 1.00 0.00 O ATOM 0 H GLU A 101 -20.892 20.000 -28.223 1.00 0.00 H new ATOM 0 HA GLU A 101 -18.890 18.650 -26.607 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.218 19.547 -25.944 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -21.893 18.220 -26.869 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.431 16.660 -25.396 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.172 18.054 -24.366 1.00 0.00 H new ATOM 1697 N ALA A 102 -18.407 17.052 -28.608 1.00 0.00 N ATOM 1698 CA ALA A 102 -18.033 15.877 -29.405 1.00 0.00 C ATOM 1699 C ALA A 102 -16.543 15.502 -29.251 1.00 0.00 C ATOM 1700 O ALA A 102 -15.691 16.373 -29.044 1.00 0.00 O ATOM 1701 CB ALA A 102 -18.386 16.151 -30.875 1.00 0.00 C ATOM 0 H ALA A 102 -17.666 17.752 -28.567 1.00 0.00 H new ATOM 0 HA ALA A 102 -18.594 15.018 -29.038 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -18.114 15.287 -31.482 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -19.457 16.335 -30.964 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -17.838 17.026 -31.224 1.00 0.00 H new ATOM 1707 N LYS A 103 -16.230 14.201 -29.379 1.00 0.00 N ATOM 1708 CA LYS A 103 -14.865 13.633 -29.266 1.00 0.00 C ATOM 1709 C LYS A 103 -14.487 12.629 -30.368 1.00 0.00 C ATOM 1710 O LYS A 103 -13.300 12.479 -30.665 1.00 0.00 O ATOM 1711 CB LYS A 103 -14.693 12.975 -27.882 1.00 0.00 C ATOM 1712 CG LYS A 103 -14.628 14.010 -26.749 1.00 0.00 C ATOM 1713 CD LYS A 103 -14.339 13.339 -25.396 1.00 0.00 C ATOM 1714 CE LYS A 103 -14.183 14.375 -24.274 1.00 0.00 C ATOM 1715 NZ LYS A 103 -12.935 15.169 -24.417 1.00 0.00 N ATOM 0 H LYS A 103 -16.937 13.491 -29.570 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.184 14.475 -29.393 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -15.524 12.293 -27.701 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.782 12.377 -27.877 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.851 14.743 -26.967 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.572 14.552 -26.694 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.149 12.653 -25.149 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.429 12.743 -25.471 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.042 15.046 -24.279 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.181 13.867 -23.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.870 15.856 -23.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.113 14.532 -24.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.948 15.675 -25.326 1.00 0.00 H new