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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 56 THR OG1 : rot -170:sc= 0.654 USER MOD Set 2.2: A 59 THR OG1 : rot 112:sc= 0.716 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00587 (180deg=-0.214) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0272) USER MOD Single : A 9 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.74 K(o=0.74,f=-0.27) 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 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.21 K(o=1.2,f=-0.035) USER MOD Single : A 61 SER OG : rot 31:sc= 0.0862 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0.0377 (180deg=-0.107) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.466 K(o=-0.47,f=-4.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.14 X(o=0.14,f=-0.093) 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 -177:sc= 0 (180deg=-0.0186) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -38.531 -20.004 -29.561 1.00 0.00 N ATOM 77 CA MET A 1 -37.141 -19.532 -29.478 1.00 0.00 C ATOM 78 C MET A 1 -36.603 -19.688 -28.046 1.00 0.00 C ATOM 79 O MET A 1 -37.276 -19.321 -27.080 1.00 0.00 O ATOM 80 CB MET A 1 -37.050 -18.065 -29.936 1.00 0.00 C ATOM 81 CG MET A 1 -37.364 -17.899 -31.429 1.00 0.00 C ATOM 82 SD MET A 1 -37.297 -16.190 -32.040 1.00 0.00 S ATOM 83 CE MET A 1 -38.827 -15.525 -31.321 1.00 0.00 C ATOM 0 H1 MET A 1 -38.795 -20.132 -30.559 1.00 0.00 H new ATOM 0 H2 MET A 1 -38.620 -20.911 -29.060 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.162 -19.303 -29.123 1.00 0.00 H new ATOM 0 HA MET A 1 -36.526 -20.141 -30.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 -37.744 -17.461 -29.352 1.00 0.00 H new ATOM 0 HB3 MET A 1 -36.049 -17.685 -29.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.660 -18.502 -32.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 -38.359 -18.300 -31.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 -38.964 -14.494 -31.647 1.00 0.00 H new ATOM 0 HE2 MET A 1 -39.675 -16.125 -31.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 -38.762 -15.557 -30.233 1.00 0.00 H new ATOM 93 N ASP A 2 -35.391 -20.232 -27.906 1.00 0.00 N ATOM 94 CA ASP A 2 -34.743 -20.526 -26.616 1.00 0.00 C ATOM 95 C ASP A 2 -33.202 -20.360 -26.693 1.00 0.00 C ATOM 96 O ASP A 2 -32.596 -20.815 -27.671 1.00 0.00 O ATOM 97 CB ASP A 2 -35.116 -21.960 -26.203 1.00 0.00 C ATOM 98 CG ASP A 2 -34.809 -22.226 -24.725 1.00 0.00 C ATOM 99 OD1 ASP A 2 -33.614 -22.368 -24.384 1.00 0.00 O ATOM 100 OD2 ASP A 2 -35.758 -22.284 -23.905 1.00 0.00 O ATOM 0 H ASP A 2 -34.814 -20.489 -28.707 1.00 0.00 H new ATOM 0 HA ASP A 2 -35.096 -19.815 -25.869 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -36.177 -22.127 -26.390 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -34.568 -22.670 -26.822 1.00 0.00 H new ATOM 105 N PRO A 3 -32.536 -19.733 -25.698 1.00 0.00 N ATOM 106 CA PRO A 3 -31.086 -19.499 -25.718 1.00 0.00 C ATOM 107 C PRO A 3 -30.215 -20.686 -25.288 1.00 0.00 C ATOM 108 O PRO A 3 -28.992 -20.637 -25.441 1.00 0.00 O ATOM 109 CB PRO A 3 -30.876 -18.269 -24.828 1.00 0.00 C ATOM 110 CG PRO A 3 -31.980 -18.412 -23.782 1.00 0.00 C ATOM 111 CD PRO A 3 -33.139 -19.013 -24.581 1.00 0.00 C ATOM 0 HA PRO A 3 -30.755 -19.346 -26.745 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -29.886 -18.264 -24.372 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -30.972 -17.341 -25.392 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -31.676 -19.062 -22.961 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -32.248 -17.450 -23.344 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -33.732 -19.685 -23.960 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -33.811 -18.233 -24.939 1.00 0.00 H new ATOM 119 N LEU A 4 -30.817 -21.761 -24.784 1.00 0.00 N ATOM 120 CA LEU A 4 -30.132 -22.927 -24.211 1.00 0.00 C ATOM 121 C LEU A 4 -30.088 -24.140 -25.167 1.00 0.00 C ATOM 122 O LEU A 4 -30.209 -25.290 -24.745 1.00 0.00 O ATOM 123 CB LEU A 4 -30.704 -23.248 -22.813 1.00 0.00 C ATOM 124 CG LEU A 4 -30.607 -22.116 -21.774 1.00 0.00 C ATOM 125 CD1 LEU A 4 -31.212 -22.585 -20.449 1.00 0.00 C ATOM 126 CD2 LEU A 4 -29.165 -21.676 -21.509 1.00 0.00 C ATOM 0 H LEU A 4 -31.833 -21.851 -24.761 1.00 0.00 H new ATOM 0 HA LEU A 4 -29.082 -22.668 -24.076 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -31.752 -23.524 -22.925 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -30.184 -24.122 -22.420 1.00 0.00 H new ATOM 0 HG LEU A 4 -31.152 -21.266 -22.184 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -31.143 -21.783 -19.714 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -32.258 -22.850 -20.600 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -30.666 -23.456 -20.088 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -29.159 -20.876 -20.769 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -28.590 -22.522 -21.134 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -28.718 -21.316 -22.436 1.00 0.00 H new ATOM 138 N ASP A 5 -29.875 -23.897 -26.464 1.00 0.00 N ATOM 139 CA ASP A 5 -29.560 -24.941 -27.462 1.00 0.00 C ATOM 140 C ASP A 5 -28.070 -25.030 -27.854 1.00 0.00 C ATOM 141 O ASP A 5 -27.685 -25.892 -28.650 1.00 0.00 O ATOM 142 CB ASP A 5 -30.452 -24.755 -28.703 1.00 0.00 C ATOM 143 CG ASP A 5 -31.866 -25.324 -28.499 1.00 0.00 C ATOM 144 OD1 ASP A 5 -32.004 -26.562 -28.350 1.00 0.00 O ATOM 145 OD2 ASP A 5 -32.850 -24.548 -28.533 1.00 0.00 O ATOM 0 H ASP A 5 -29.916 -22.959 -26.862 1.00 0.00 H new ATOM 0 HA ASP A 5 -29.775 -25.897 -26.984 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -30.521 -23.694 -28.942 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -29.986 -25.244 -29.558 1.00 0.00 H new ATOM 150 N LYS A 6 -27.231 -24.133 -27.318 1.00 0.00 N ATOM 151 CA LYS A 6 -25.860 -23.868 -27.818 1.00 0.00 C ATOM 152 C LYS A 6 -24.791 -23.948 -26.731 1.00 0.00 C ATOM 153 O LYS A 6 -23.868 -24.757 -26.820 1.00 0.00 O ATOM 154 CB LYS A 6 -25.774 -22.514 -28.563 1.00 0.00 C ATOM 155 CG LYS A 6 -26.946 -22.254 -29.525 1.00 0.00 C ATOM 156 CD LYS A 6 -28.066 -21.410 -28.883 1.00 0.00 C ATOM 157 CE LYS A 6 -27.747 -19.906 -28.838 1.00 0.00 C ATOM 158 NZ LYS A 6 -27.787 -19.280 -30.189 1.00 0.00 N ATOM 0 H LYS A 6 -27.482 -23.559 -26.513 1.00 0.00 H new ATOM 0 HA LYS A 6 -25.650 -24.670 -28.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.734 -21.709 -27.829 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -24.841 -22.479 -29.125 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -26.575 -21.743 -30.413 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -27.359 -23.207 -29.855 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -28.990 -21.561 -29.441 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -28.244 -21.767 -27.869 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -28.462 -19.404 -28.186 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -26.759 -19.759 -28.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -27.701 -18.248 -30.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -27.000 -19.643 -30.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -28.689 -19.512 -30.652 1.00 0.00 H new ATOM 172 N ILE A 7 -24.947 -23.115 -25.700 1.00 0.00 N ATOM 173 CA ILE A 7 -24.021 -22.980 -24.561 1.00 0.00 C ATOM 174 C ILE A 7 -24.578 -23.585 -23.262 1.00 0.00 C ATOM 175 O ILE A 7 -23.992 -23.405 -22.193 1.00 0.00 O ATOM 176 CB ILE A 7 -23.529 -21.518 -24.422 1.00 0.00 C ATOM 177 CG1 ILE A 7 -24.633 -20.437 -24.329 1.00 0.00 C ATOM 178 CG2 ILE A 7 -22.628 -21.186 -25.625 1.00 0.00 C ATOM 179 CD1 ILE A 7 -25.567 -20.556 -23.119 1.00 0.00 C ATOM 0 H ILE A 7 -25.750 -22.490 -25.628 1.00 0.00 H new ATOM 0 HA ILE A 7 -23.138 -23.582 -24.774 1.00 0.00 H new ATOM 0 HB ILE A 7 -23.005 -21.483 -23.467 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.157 -19.457 -24.305 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.235 -20.477 -25.237 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.273 -20.159 -25.541 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -21.775 -21.864 -25.639 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -23.197 -21.299 -26.548 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -26.303 -19.753 -23.147 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -26.078 -21.518 -23.147 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.984 -20.482 -22.201 1.00 0.00 H new ATOM 191 N ILE A 8 -25.705 -24.306 -23.350 1.00 0.00 N ATOM 192 CA ILE A 8 -26.327 -24.998 -22.208 1.00 0.00 C ATOM 193 C ILE A 8 -25.326 -25.908 -21.464 1.00 0.00 C ATOM 194 O ILE A 8 -24.662 -26.762 -22.061 1.00 0.00 O ATOM 195 CB ILE A 8 -27.602 -25.763 -22.642 1.00 0.00 C ATOM 196 CG1 ILE A 8 -28.396 -26.210 -21.389 1.00 0.00 C ATOM 197 CG2 ILE A 8 -27.314 -26.930 -23.606 1.00 0.00 C ATOM 198 CD1 ILE A 8 -29.684 -26.997 -21.668 1.00 0.00 C ATOM 0 H ILE A 8 -26.217 -24.427 -24.224 1.00 0.00 H new ATOM 0 HA ILE A 8 -26.635 -24.234 -21.494 1.00 0.00 H new ATOM 0 HB ILE A 8 -28.221 -25.076 -23.219 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -27.744 -26.823 -20.767 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -28.651 -25.324 -20.807 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -28.250 -27.423 -23.870 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -26.838 -26.547 -24.509 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -26.650 -27.647 -23.122 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -30.161 -27.260 -20.724 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -30.364 -26.384 -22.260 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -29.443 -27.906 -22.219 1.00 0.00 H new ATOM 210 N ASN A 9 -25.211 -25.716 -20.146 1.00 0.00 N ATOM 211 CA ASN A 9 -24.284 -26.460 -19.274 1.00 0.00 C ATOM 212 C ASN A 9 -24.829 -26.687 -17.848 1.00 0.00 C ATOM 213 O ASN A 9 -24.172 -27.317 -17.018 1.00 0.00 O ATOM 214 CB ASN A 9 -22.933 -25.707 -19.288 1.00 0.00 C ATOM 215 CG ASN A 9 -21.714 -26.596 -19.082 1.00 0.00 C ATOM 216 OD1 ASN A 9 -20.900 -26.790 -19.976 1.00 0.00 O ATOM 217 ND2 ASN A 9 -21.524 -27.154 -17.909 1.00 0.00 N ATOM 0 H ASN A 9 -25.769 -25.027 -19.642 1.00 0.00 H new ATOM 0 HA ASN A 9 -24.154 -27.471 -19.661 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -22.831 -25.187 -20.240 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.948 -24.945 -18.509 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.705 -27.742 -17.750 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -22.195 -27.000 -17.156 1.00 0.00 H new ATOM 224 N ASP A 10 -26.027 -26.188 -17.539 1.00 0.00 N ATOM 225 CA ASP A 10 -26.487 -26.003 -16.155 1.00 0.00 C ATOM 226 C ASP A 10 -27.200 -27.225 -15.541 1.00 0.00 C ATOM 227 O ASP A 10 -27.844 -27.133 -14.492 1.00 0.00 O ATOM 228 CB ASP A 10 -27.329 -24.718 -16.067 1.00 0.00 C ATOM 229 CG ASP A 10 -26.568 -23.482 -16.575 1.00 0.00 C ATOM 230 OD1 ASP A 10 -26.610 -23.211 -17.800 1.00 0.00 O ATOM 231 OD2 ASP A 10 -25.927 -22.783 -15.753 1.00 0.00 O ATOM 0 H ASP A 10 -26.709 -25.899 -18.240 1.00 0.00 H new ATOM 0 HA ASP A 10 -25.597 -25.897 -15.534 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -28.241 -24.844 -16.650 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -27.631 -24.555 -15.033 1.00 0.00 H new ATOM 236 N ILE A 11 -27.097 -28.373 -16.213 1.00 0.00 N ATOM 237 CA ILE A 11 -27.838 -29.613 -15.914 1.00 0.00 C ATOM 238 C ILE A 11 -27.024 -30.898 -16.150 1.00 0.00 C ATOM 239 O ILE A 11 -27.583 -31.984 -16.313 1.00 0.00 O ATOM 240 CB ILE A 11 -29.215 -29.550 -16.636 1.00 0.00 C ATOM 241 CG1 ILE A 11 -30.301 -30.531 -16.136 1.00 0.00 C ATOM 242 CG2 ILE A 11 -29.069 -29.677 -18.165 1.00 0.00 C ATOM 243 CD1 ILE A 11 -30.569 -30.449 -14.629 1.00 0.00 C ATOM 0 H ILE A 11 -26.472 -28.475 -17.013 1.00 0.00 H new ATOM 0 HA ILE A 11 -28.029 -29.673 -14.843 1.00 0.00 H new ATOM 0 HB ILE A 11 -29.578 -28.558 -16.368 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -31.230 -30.332 -16.671 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -30.000 -31.548 -16.386 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -30.054 -29.628 -18.630 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -28.450 -28.862 -18.540 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -28.600 -30.631 -18.408 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -31.342 -31.167 -14.357 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -29.653 -30.678 -14.084 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -30.902 -29.443 -14.373 1.00 0.00 H new ATOM 255 N LYS A 12 -25.686 -30.786 -16.143 1.00 0.00 N ATOM 256 CA LYS A 12 -24.769 -31.927 -16.355 1.00 0.00 C ATOM 257 C LYS A 12 -23.758 -32.177 -15.228 1.00 0.00 C ATOM 258 O LYS A 12 -23.489 -33.341 -14.924 1.00 0.00 O ATOM 259 CB LYS A 12 -24.051 -31.791 -17.710 1.00 0.00 C ATOM 260 CG LYS A 12 -25.021 -31.864 -18.904 1.00 0.00 C ATOM 261 CD LYS A 12 -24.303 -31.873 -20.266 1.00 0.00 C ATOM 262 CE LYS A 12 -23.354 -33.064 -20.492 1.00 0.00 C ATOM 263 NZ LYS A 12 -24.060 -34.373 -20.508 1.00 0.00 N ATOM 0 H LYS A 12 -25.204 -29.900 -15.990 1.00 0.00 H new ATOM 0 HA LYS A 12 -25.409 -32.809 -16.352 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.515 -30.842 -17.739 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -23.306 -32.581 -17.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.630 -32.764 -18.815 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -25.701 -31.013 -18.864 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -25.054 -31.871 -21.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.733 -30.949 -20.366 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.829 -32.929 -21.437 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.599 -33.074 -19.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.372 -35.137 -20.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.540 -34.520 -19.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.763 -34.379 -21.275 1.00 0.00 H new ATOM 608 N LEU A 35 -9.939 3.744 -0.345 1.00 0.00 N ATOM 609 CA LEU A 35 -9.197 4.181 0.844 1.00 0.00 C ATOM 610 C LEU A 35 -9.868 5.421 1.471 1.00 0.00 C ATOM 611 O LEU A 35 -10.531 6.195 0.774 1.00 0.00 O ATOM 612 CB LEU A 35 -7.747 4.486 0.411 1.00 0.00 C ATOM 613 CG LEU A 35 -6.932 3.233 0.022 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.988 3.516 -1.141 1.00 0.00 C ATOM 615 CD2 LEU A 35 -6.097 2.726 1.197 1.00 0.00 C ATOM 0 HA LEU A 35 -9.196 3.400 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.768 5.171 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.236 5.001 1.225 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.659 2.476 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.432 2.611 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.565 3.834 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.291 4.306 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.535 1.844 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.404 3.505 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.755 2.467 2.026 1.00 0.00 H new ATOM 627 N SER A 36 -9.661 5.637 2.775 1.00 0.00 N ATOM 628 CA SER A 36 -10.006 6.911 3.439 1.00 0.00 C ATOM 629 C SER A 36 -9.032 8.020 3.009 1.00 0.00 C ATOM 630 O SER A 36 -7.988 7.727 2.429 1.00 0.00 O ATOM 631 CB SER A 36 -10.019 6.723 4.962 1.00 0.00 C ATOM 632 OG SER A 36 -10.541 7.877 5.601 1.00 0.00 O ATOM 0 H SER A 36 -9.253 4.943 3.401 1.00 0.00 H new ATOM 0 HA SER A 36 -11.006 7.218 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.621 5.853 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.008 6.529 5.319 1.00 0.00 H new ATOM 0 HG SER A 36 -10.544 7.740 6.571 1.00 0.00 H new ATOM 638 N GLU A 37 -9.321 9.294 3.285 1.00 0.00 N ATOM 639 CA GLU A 37 -8.498 10.427 2.822 1.00 0.00 C ATOM 640 C GLU A 37 -7.031 10.320 3.282 1.00 0.00 C ATOM 641 O GLU A 37 -6.116 10.454 2.471 1.00 0.00 O ATOM 642 CB GLU A 37 -9.145 11.741 3.290 1.00 0.00 C ATOM 643 CG GLU A 37 -8.417 12.984 2.761 1.00 0.00 C ATOM 644 CD GLU A 37 -9.159 14.273 3.168 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.915 14.794 4.284 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.990 14.779 2.374 1.00 0.00 O ATOM 0 H GLU A 37 -10.132 9.575 3.836 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.466 10.407 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.184 11.766 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.155 11.768 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.399 13.007 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.341 12.931 1.675 1.00 0.00 H new ATOM 653 N GLN A 38 -6.793 9.996 4.558 1.00 0.00 N ATOM 654 CA GLN A 38 -5.440 9.810 5.100 1.00 0.00 C ATOM 655 C GLN A 38 -4.809 8.503 4.593 1.00 0.00 C ATOM 656 O GLN A 38 -3.647 8.488 4.194 1.00 0.00 O ATOM 657 CB GLN A 38 -5.504 9.843 6.635 1.00 0.00 C ATOM 658 CG GLN A 38 -4.109 9.944 7.275 1.00 0.00 C ATOM 659 CD GLN A 38 -4.146 9.596 8.760 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.173 10.453 9.635 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.162 8.323 9.099 1.00 0.00 N ATOM 0 H GLN A 38 -7.533 9.855 5.246 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.801 10.622 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.110 10.692 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.002 8.943 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.422 9.272 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.722 10.955 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.140 7.603 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.197 8.058 10.083 1.00 0.00 H new ATOM 670 N GLN A 39 -5.586 7.413 4.557 1.00 0.00 N ATOM 671 CA GLN A 39 -5.152 6.109 4.036 1.00 0.00 C ATOM 672 C GLN A 39 -4.669 6.227 2.577 1.00 0.00 C ATOM 673 O GLN A 39 -3.607 5.714 2.234 1.00 0.00 O ATOM 674 CB GLN A 39 -6.308 5.104 4.156 1.00 0.00 C ATOM 675 CG GLN A 39 -6.666 4.677 5.592 1.00 0.00 C ATOM 676 CD GLN A 39 -5.867 3.465 6.075 1.00 0.00 C ATOM 677 OE1 GLN A 39 -5.967 2.373 5.529 1.00 0.00 O ATOM 678 NE2 GLN A 39 -5.069 3.600 7.112 1.00 0.00 N ATOM 0 H GLN A 39 -6.549 7.412 4.894 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.308 5.753 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.194 5.538 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.053 4.213 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.490 5.514 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.730 4.446 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.980 4.506 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.539 2.799 7.456 1.00 0.00 H new ATOM 687 N LYS A 40 -5.393 6.976 1.736 1.00 0.00 N ATOM 688 CA LYS A 40 -5.037 7.239 0.333 1.00 0.00 C ATOM 689 C LYS A 40 -3.702 7.980 0.228 1.00 0.00 C ATOM 690 O LYS A 40 -2.867 7.599 -0.588 1.00 0.00 O ATOM 691 CB LYS A 40 -6.183 8.024 -0.334 1.00 0.00 C ATOM 692 CG LYS A 40 -5.914 8.339 -1.817 1.00 0.00 C ATOM 693 CD LYS A 40 -7.072 9.119 -2.459 1.00 0.00 C ATOM 694 CE LYS A 40 -8.311 8.259 -2.752 1.00 0.00 C ATOM 695 NZ LYS A 40 -8.148 7.443 -3.984 1.00 0.00 N ATOM 0 H LYS A 40 -6.263 7.427 2.017 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.905 6.293 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.105 7.449 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.340 8.957 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.995 8.918 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.757 7.409 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.357 9.937 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.724 9.567 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.503 7.601 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.183 8.905 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.007 6.879 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.990 8.071 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.332 6.807 -3.874 1.00 0.00 H new ATOM 709 N ILE A 41 -3.465 8.987 1.075 1.00 0.00 N ATOM 710 CA ILE A 41 -2.194 9.730 1.092 1.00 0.00 C ATOM 711 C ILE A 41 -1.040 8.839 1.568 1.00 0.00 C ATOM 712 O ILE A 41 0.022 8.897 0.964 1.00 0.00 O ATOM 713 CB ILE A 41 -2.296 11.011 1.943 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.379 11.972 1.395 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.954 11.766 2.009 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.882 12.978 2.437 1.00 0.00 C ATOM 0 H ILE A 41 -4.142 9.311 1.765 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.981 10.036 0.068 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.572 10.686 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.974 12.516 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.222 11.387 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.070 12.662 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.195 11.121 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.646 12.049 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.639 13.620 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.317 12.442 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.049 13.588 2.786 1.00 0.00 H new ATOM 728 N ILE A 42 -1.214 7.979 2.579 1.00 0.00 N ATOM 729 CA ILE A 42 -0.135 7.076 3.032 1.00 0.00 C ATOM 730 C ILE A 42 0.217 6.059 1.938 1.00 0.00 C ATOM 731 O ILE A 42 1.394 5.845 1.639 1.00 0.00 O ATOM 732 CB ILE A 42 -0.510 6.360 4.343 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.789 7.343 5.501 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.640 5.424 4.765 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.705 6.710 6.553 1.00 0.00 C ATOM 0 H ILE A 42 -2.086 7.885 3.100 1.00 0.00 H new ATOM 0 HA ILE A 42 0.745 7.687 3.231 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.425 5.801 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.152 7.640 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.251 8.249 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.375 4.917 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.812 4.684 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.547 6.008 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.884 7.424 7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.654 6.437 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.229 5.818 6.960 1.00 0.00 H new ATOM 747 N LEU A 43 -0.806 5.478 1.302 1.00 0.00 N ATOM 748 CA LEU A 43 -0.660 4.573 0.159 1.00 0.00 C ATOM 749 C LEU A 43 0.117 5.260 -0.978 1.00 0.00 C ATOM 750 O LEU A 43 1.094 4.716 -1.497 1.00 0.00 O ATOM 751 CB LEU A 43 -2.078 4.111 -0.249 1.00 0.00 C ATOM 752 CG LEU A 43 -2.240 3.150 -1.441 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.129 3.847 -2.796 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.304 1.943 -1.360 1.00 0.00 C ATOM 0 H LEU A 43 -1.778 5.627 1.574 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.071 3.692 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.531 3.635 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.665 5.004 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.260 2.774 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.252 3.114 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.906 4.607 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.150 4.318 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.463 1.301 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.269 2.285 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.512 1.382 -0.449 1.00 0.00 H new ATOM 766 N ALA A 44 -0.281 6.487 -1.318 1.00 0.00 N ATOM 767 CA ALA A 44 0.327 7.288 -2.371 1.00 0.00 C ATOM 768 C ALA A 44 1.763 7.717 -2.042 1.00 0.00 C ATOM 769 O ALA A 44 2.658 7.462 -2.843 1.00 0.00 O ATOM 770 CB ALA A 44 -0.567 8.504 -2.610 1.00 0.00 C ATOM 0 H ALA A 44 -1.056 6.960 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 44 0.404 6.681 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.135 9.124 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.560 8.172 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.644 9.085 -1.691 1.00 0.00 H new ATOM 776 N GLU A 45 2.014 8.319 -0.874 1.00 0.00 N ATOM 777 CA GLU A 45 3.356 8.764 -0.466 1.00 0.00 C ATOM 778 C GLU A 45 4.381 7.619 -0.411 1.00 0.00 C ATOM 779 O GLU A 45 5.568 7.857 -0.634 1.00 0.00 O ATOM 780 CB GLU A 45 3.306 9.466 0.902 1.00 0.00 C ATOM 781 CG GLU A 45 2.722 10.884 0.818 1.00 0.00 C ATOM 782 CD GLU A 45 2.921 11.666 2.135 1.00 0.00 C ATOM 783 OE1 GLU A 45 3.429 12.813 2.085 1.00 0.00 O ATOM 784 OE2 GLU A 45 2.577 11.152 3.227 1.00 0.00 O ATOM 0 H GLU A 45 1.291 8.513 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 45 3.685 9.464 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.706 8.870 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.312 9.516 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.197 11.425 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.658 10.826 0.587 1.00 0.00 H new ATOM 791 N TYR A 46 3.943 6.379 -0.172 1.00 0.00 N ATOM 792 CA TYR A 46 4.813 5.204 -0.171 1.00 0.00 C ATOM 793 C TYR A 46 5.281 4.854 -1.597 1.00 0.00 C ATOM 794 O TYR A 46 6.473 4.907 -1.897 1.00 0.00 O ATOM 795 CB TYR A 46 4.063 4.062 0.529 1.00 0.00 C ATOM 796 CG TYR A 46 4.778 2.734 0.687 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.004 1.597 0.983 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.180 2.622 0.600 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.619 0.347 1.182 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.801 1.373 0.789 1.00 0.00 C ATOM 801 CZ TYR A 46 6.021 0.236 1.084 1.00 0.00 C ATOM 802 OH TYR A 46 6.627 -0.962 1.276 1.00 0.00 O ATOM 0 H TYR A 46 2.966 6.163 0.028 1.00 0.00 H new ATOM 0 HA TYR A 46 5.731 5.401 0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.778 4.409 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.140 3.881 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.930 1.684 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.779 3.495 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.020 -0.523 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.874 1.286 0.708 1.00 0.00 H new ATOM 0 HH TYR A 46 7.596 -0.859 1.171 1.00 0.00 H new ATOM 812 N ILE A 47 4.346 4.590 -2.513 1.00 0.00 N ATOM 813 CA ILE A 47 4.579 4.308 -3.938 1.00 0.00 C ATOM 814 C ILE A 47 5.298 5.480 -4.630 1.00 0.00 C ATOM 815 O ILE A 47 6.146 5.260 -5.489 1.00 0.00 O ATOM 816 CB ILE A 47 3.204 4.034 -4.561 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.740 2.647 -4.056 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.213 4.079 -6.100 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.236 2.402 -4.204 1.00 0.00 C ATOM 0 H ILE A 47 3.355 4.565 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 47 5.233 3.445 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 47 2.515 4.822 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.279 1.874 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.013 2.544 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.210 3.877 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.533 5.066 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.902 3.326 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.990 1.409 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.687 3.152 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.958 2.471 -5.256 1.00 0.00 H new ATOM 831 N ALA A 48 5.019 6.721 -4.231 1.00 0.00 N ATOM 832 CA ALA A 48 5.685 7.919 -4.743 1.00 0.00 C ATOM 833 C ALA A 48 7.155 8.043 -4.284 1.00 0.00 C ATOM 834 O ALA A 48 7.951 8.718 -4.940 1.00 0.00 O ATOM 835 CB ALA A 48 4.861 9.130 -4.299 1.00 0.00 C ATOM 0 H ALA A 48 4.309 6.926 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 48 5.734 7.858 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.330 10.043 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.852 9.053 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.813 9.158 -3.210 1.00 0.00 H new ATOM 841 N GLU A 49 7.529 7.390 -3.179 1.00 0.00 N ATOM 842 CA GLU A 49 8.891 7.391 -2.631 1.00 0.00 C ATOM 843 C GLU A 49 9.719 6.168 -3.068 1.00 0.00 C ATOM 844 O GLU A 49 10.938 6.301 -3.209 1.00 0.00 O ATOM 845 CB GLU A 49 8.812 7.530 -1.100 1.00 0.00 C ATOM 846 CG GLU A 49 10.184 7.725 -0.441 1.00 0.00 C ATOM 847 CD GLU A 49 10.037 8.099 1.047 1.00 0.00 C ATOM 848 OE1 GLU A 49 9.957 7.186 1.905 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.023 9.312 1.375 1.00 0.00 O ATOM 0 H GLU A 49 6.878 6.832 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 49 9.427 8.247 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.172 8.377 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.339 6.640 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.768 6.810 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.734 8.508 -0.963 1.00 0.00 H new ATOM 856 N VAL A 50 9.101 5.001 -3.324 1.00 0.00 N ATOM 857 CA VAL A 50 9.837 3.761 -3.653 1.00 0.00 C ATOM 858 C VAL A 50 9.461 3.151 -5.003 1.00 0.00 C ATOM 859 O VAL A 50 10.238 2.368 -5.539 1.00 0.00 O ATOM 860 CB VAL A 50 9.743 2.704 -2.529 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.111 3.286 -1.158 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.377 2.018 -2.412 1.00 0.00 C ATOM 0 H VAL A 50 8.087 4.888 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 50 10.877 4.077 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 50 10.469 1.947 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.031 2.508 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.134 3.663 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.430 4.102 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.403 1.293 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.611 2.766 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.145 1.507 -3.346 1.00 0.00 H new ATOM 872 N GLY A 51 8.308 3.498 -5.576 1.00 0.00 N ATOM 873 CA GLY A 51 7.740 2.858 -6.768 1.00 0.00 C ATOM 874 C GLY A 51 6.981 1.571 -6.428 1.00 0.00 C ATOM 875 O GLY A 51 7.406 0.784 -5.581 1.00 0.00 O ATOM 0 H GLY A 51 7.725 4.253 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.066 3.555 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.540 2.631 -7.472 1.00 0.00 H new ATOM 879 N LEU A 52 5.859 1.313 -7.108 1.00 0.00 N ATOM 880 CA LEU A 52 4.927 0.213 -6.779 1.00 0.00 C ATOM 881 C LEU A 52 5.528 -1.198 -6.978 1.00 0.00 C ATOM 882 O LEU A 52 5.012 -2.210 -6.515 1.00 0.00 O ATOM 883 CB LEU A 52 3.640 0.424 -7.606 1.00 0.00 C ATOM 884 CG LEU A 52 2.323 0.025 -6.908 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.187 0.832 -7.529 1.00 0.00 C ATOM 886 CD2 LEU A 52 1.949 -1.450 -7.035 1.00 0.00 C ATOM 0 H LEU A 52 5.563 1.865 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 52 4.704 0.251 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.578 1.476 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.727 -0.146 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 52 2.476 0.226 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.246 0.564 -7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.377 1.896 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.126 0.613 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.010 -1.633 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.835 -1.707 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.735 -2.064 -6.595 1.00 0.00 H new ATOM 898 N GLN A 53 6.675 -1.245 -7.639 1.00 0.00 N ATOM 899 CA GLN A 53 7.497 -2.440 -7.868 1.00 0.00 C ATOM 900 C GLN A 53 8.322 -2.849 -6.631 1.00 0.00 C ATOM 901 O GLN A 53 8.805 -3.982 -6.570 1.00 0.00 O ATOM 902 CB GLN A 53 8.419 -2.168 -9.068 1.00 0.00 C ATOM 903 CG GLN A 53 7.638 -2.029 -10.386 1.00 0.00 C ATOM 904 CD GLN A 53 8.488 -1.389 -11.478 1.00 0.00 C ATOM 905 OE1 GLN A 53 9.053 -2.046 -12.345 1.00 0.00 O ATOM 906 NE2 GLN A 53 8.619 -0.078 -11.467 1.00 0.00 N ATOM 0 H GLN A 53 7.086 -0.409 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 53 6.832 -3.279 -8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.987 -1.255 -8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.141 -2.980 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.302 -3.012 -10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.745 -1.426 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.152 0.475 -10.749 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.188 0.384 -12.177 1.00 0.00 H new ATOM 915 N ASN A 54 8.490 -1.947 -5.650 1.00 0.00 N ATOM 916 CA ASN A 54 9.368 -2.138 -4.482 1.00 0.00 C ATOM 917 C ASN A 54 8.632 -2.219 -3.132 1.00 0.00 C ATOM 918 O ASN A 54 9.249 -2.530 -2.110 1.00 0.00 O ATOM 919 CB ASN A 54 10.452 -1.048 -4.489 1.00 0.00 C ATOM 920 CG ASN A 54 11.256 -1.051 -5.777 1.00 0.00 C ATOM 921 OD1 ASN A 54 11.965 -1.995 -6.101 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.150 -0.008 -6.565 1.00 0.00 N ATOM 0 H ASN A 54 8.010 -1.047 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 54 9.829 -3.121 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.985 -0.072 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.123 -1.199 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.659 0.017 -7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.559 0.778 -6.294 1.00 0.00 H new ATOM 929 N ILE A 55 7.320 -1.980 -3.127 1.00 0.00 N ATOM 930 CA ILE A 55 6.442 -2.220 -1.970 1.00 0.00 C ATOM 931 C ILE A 55 6.156 -3.717 -1.769 1.00 0.00 C ATOM 932 O ILE A 55 6.258 -4.519 -2.701 1.00 0.00 O ATOM 933 CB ILE A 55 5.133 -1.396 -2.046 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.141 -1.932 -3.096 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.441 0.093 -2.274 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.846 -1.123 -3.167 1.00 0.00 C ATOM 0 H ILE A 55 6.825 -1.608 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 55 6.985 -1.872 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 55 4.637 -1.505 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.620 -1.926 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.902 -2.970 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.508 0.654 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.047 0.470 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.987 0.212 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.190 -1.552 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.347 -1.150 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.076 -0.090 -3.428 1.00 0.00 H new ATOM 948 N THR A 56 5.743 -4.086 -0.556 1.00 0.00 N ATOM 949 CA THR A 56 5.322 -5.445 -0.179 1.00 0.00 C ATOM 950 C THR A 56 4.044 -5.388 0.645 1.00 0.00 C ATOM 951 O THR A 56 3.880 -4.479 1.452 1.00 0.00 O ATOM 952 CB THR A 56 6.426 -6.180 0.612 1.00 0.00 C ATOM 953 OG1 THR A 56 7.138 -5.321 1.474 1.00 0.00 O ATOM 954 CG2 THR A 56 7.444 -6.832 -0.322 1.00 0.00 C ATOM 0 H THR A 56 5.689 -3.428 0.221 1.00 0.00 H new ATOM 0 HA THR A 56 5.137 -6.003 -1.097 1.00 0.00 H new ATOM 0 HB THR A 56 5.903 -6.935 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.920 -5.791 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.206 -7.340 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.939 -7.555 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.914 -6.066 -0.939 1.00 0.00 H new ATOM 962 N ALA A 57 3.145 -6.367 0.500 1.00 0.00 N ATOM 963 CA ALA A 57 1.885 -6.442 1.247 1.00 0.00 C ATOM 964 C ALA A 57 2.114 -6.527 2.762 1.00 0.00 C ATOM 965 O ALA A 57 1.320 -6.006 3.535 1.00 0.00 O ATOM 966 CB ALA A 57 1.105 -7.671 0.769 1.00 0.00 C ATOM 0 H ALA A 57 3.274 -7.142 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 57 1.320 -5.529 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.165 -7.740 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.899 -7.579 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.696 -8.569 0.948 1.00 0.00 H new ATOM 972 N ILE A 58 3.235 -7.124 3.176 1.00 0.00 N ATOM 973 CA ILE A 58 3.684 -7.215 4.572 1.00 0.00 C ATOM 974 C ILE A 58 3.928 -5.813 5.144 1.00 0.00 C ATOM 975 O ILE A 58 3.572 -5.516 6.283 1.00 0.00 O ATOM 976 CB ILE A 58 4.992 -8.045 4.624 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.773 -9.567 4.440 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.703 -7.855 5.979 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.212 -10.022 3.087 1.00 0.00 C ATOM 0 H ILE A 58 3.880 -7.574 2.526 1.00 0.00 H new ATOM 0 HA ILE A 58 2.915 -7.701 5.172 1.00 0.00 H new ATOM 0 HB ILE A 58 5.592 -7.674 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.727 -10.070 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.096 -9.911 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.619 -8.446 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.948 -6.802 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.045 -8.183 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.105 -11.107 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.238 -9.561 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.894 -9.722 2.291 1.00 0.00 H new ATOM 991 N THR A 59 4.549 -4.950 4.346 1.00 0.00 N ATOM 992 CA THR A 59 5.017 -3.629 4.742 1.00 0.00 C ATOM 993 C THR A 59 3.904 -2.612 4.549 1.00 0.00 C ATOM 994 O THR A 59 3.645 -1.817 5.441 1.00 0.00 O ATOM 995 CB THR A 59 6.267 -3.305 3.916 1.00 0.00 C ATOM 996 OG1 THR A 59 7.254 -4.287 4.130 1.00 0.00 O ATOM 997 CG2 THR A 59 6.892 -1.971 4.283 1.00 0.00 C ATOM 0 H THR A 59 4.747 -5.161 3.368 1.00 0.00 H new ATOM 0 HA THR A 59 5.285 -3.599 5.798 1.00 0.00 H new ATOM 0 HB THR A 59 5.936 -3.272 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.379 -4.809 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.772 -1.799 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.169 -1.172 4.116 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.184 -1.982 5.333 1.00 0.00 H new ATOM 1005 N LEU A 60 3.148 -2.705 3.453 1.00 0.00 N ATOM 1006 CA LEU A 60 1.931 -1.933 3.208 1.00 0.00 C ATOM 1007 C LEU A 60 0.859 -2.211 4.280 1.00 0.00 C ATOM 1008 O LEU A 60 0.226 -1.275 4.768 1.00 0.00 O ATOM 1009 CB LEU A 60 1.456 -2.251 1.772 1.00 0.00 C ATOM 1010 CG LEU A 60 0.344 -1.340 1.228 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.856 0.079 1.024 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.136 -1.857 -0.125 1.00 0.00 C ATOM 0 H LEU A 60 3.374 -3.340 2.688 1.00 0.00 H new ATOM 0 HA LEU A 60 2.130 -0.864 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.313 -2.189 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.104 -3.282 1.744 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.468 -1.341 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.051 0.704 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.204 0.481 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.681 0.069 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.924 -1.206 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.697 -1.865 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.525 -2.869 -0.011 1.00 0.00 H new ATOM 1024 N SER A 61 0.753 -3.464 4.750 1.00 0.00 N ATOM 1025 CA SER A 61 -0.043 -3.858 5.925 1.00 0.00 C ATOM 1026 C SER A 61 0.302 -3.059 7.179 1.00 0.00 C ATOM 1027 O SER A 61 -0.566 -2.686 7.970 1.00 0.00 O ATOM 1028 CB SER A 61 0.082 -5.366 6.175 1.00 0.00 C ATOM 1029 OG SER A 61 -0.614 -5.775 7.336 1.00 0.00 O ATOM 0 H SER A 61 1.231 -4.252 4.313 1.00 0.00 H new ATOM 0 HA SER A 61 -1.082 -3.622 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.304 -5.909 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.135 -5.630 6.273 1.00 0.00 H new ATOM 0 HG SER A 61 -1.393 -5.196 7.471 1.00 0.00 H new ATOM 1035 N LYS A 62 1.576 -2.703 7.302 1.00 0.00 N ATOM 1036 CA LYS A 62 2.144 -2.042 8.478 1.00 0.00 C ATOM 1037 C LYS A 62 2.255 -0.521 8.337 1.00 0.00 C ATOM 1038 O LYS A 62 2.140 0.176 9.344 1.00 0.00 O ATOM 1039 CB LYS A 62 3.472 -2.707 8.866 1.00 0.00 C ATOM 1040 CG LYS A 62 3.229 -4.133 9.392 1.00 0.00 C ATOM 1041 CD LYS A 62 4.543 -4.805 9.794 1.00 0.00 C ATOM 1042 CE LYS A 62 4.275 -6.250 10.233 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.514 -6.920 10.708 1.00 0.00 N ATOM 0 H LYS A 62 2.264 -2.870 6.567 1.00 0.00 H new ATOM 0 HA LYS A 62 1.441 -2.180 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.135 -2.740 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.974 -2.112 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.558 -4.098 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.733 -4.727 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.239 -4.793 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.012 -4.250 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.530 -6.256 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.855 -6.812 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.293 -7.895 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.216 -6.936 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.901 -6.398 11.520 1.00 0.00 H new ATOM 1057 N LYS A 63 2.382 0.017 7.115 1.00 0.00 N ATOM 1058 CA LYS A 63 2.378 1.458 6.844 1.00 0.00 C ATOM 1059 C LYS A 63 1.003 2.092 7.072 1.00 0.00 C ATOM 1060 O LYS A 63 0.929 3.224 7.543 1.00 0.00 O ATOM 1061 CB LYS A 63 2.898 1.665 5.411 1.00 0.00 C ATOM 1062 CG LYS A 63 4.417 1.411 5.330 1.00 0.00 C ATOM 1063 CD LYS A 63 5.121 2.406 4.397 1.00 0.00 C ATOM 1064 CE LYS A 63 6.599 2.561 4.760 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.431 1.393 4.372 1.00 0.00 N ATOM 0 H LYS A 63 2.492 -0.549 6.274 1.00 0.00 H new ATOM 0 HA LYS A 63 3.034 1.969 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.377 0.992 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.678 2.681 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.850 1.482 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.596 0.395 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.032 2.065 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.626 3.376 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.992 3.454 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.686 2.718 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.438 1.646 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.230 0.596 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.209 1.118 3.394 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.072 1.346 6.800 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.462 1.805 6.934 1.00 0.00 C ATOM 1081 C LEU A 64 -2.225 1.185 8.120 1.00 0.00 C ATOM 1082 O LEU A 64 -3.388 1.532 8.333 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.196 1.570 5.603 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.688 2.477 4.470 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -0.659 1.788 3.578 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.838 2.908 3.570 1.00 0.00 C ATOM 0 H LEU A 64 -0.000 0.383 6.472 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.429 2.870 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.077 0.528 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.263 1.741 5.747 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.225 3.331 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.336 2.476 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.201 1.491 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.106 0.905 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.457 3.549 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.307 2.027 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.574 3.457 4.158 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.593 0.297 8.896 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.215 -0.482 9.979 1.00 0.00 C ATOM 1100 C ASN A 65 -3.449 -1.287 9.500 1.00 0.00 C ATOM 1101 O ASN A 65 -4.501 -1.299 10.148 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.479 0.409 11.213 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.250 1.165 11.686 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.402 0.640 12.395 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.109 2.418 11.309 1.00 0.00 N ATOM 0 H ASN A 65 -0.600 0.092 8.785 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.506 -1.245 10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.266 1.124 10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.850 -0.213 12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.293 2.952 11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.816 2.855 10.718 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.321 -1.932 8.336 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.359 -2.734 7.667 1.00 0.00 C ATOM 1114 C ILE A 66 -4.103 -4.242 7.849 1.00 0.00 C ATOM 1115 O ILE A 66 -3.235 -4.646 8.626 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.484 -2.310 6.181 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.155 -2.400 5.400 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.144 -0.932 6.091 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.137 -1.833 3.976 1.00 0.00 C ATOM 0 H ILE A 66 -2.450 -1.910 7.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.322 -2.538 8.137 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.131 -3.031 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.388 -1.884 5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.864 -3.449 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.230 -0.637 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.137 -0.974 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.536 -0.202 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.144 -1.962 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.869 -2.361 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.386 -0.772 4.004 1.00 0.00 H new ATOM 1131 N THR A 67 -4.870 -5.090 7.158 1.00 0.00 N ATOM 1132 CA THR A 67 -4.550 -6.517 6.995 1.00 0.00 C ATOM 1133 C THR A 67 -3.606 -6.737 5.811 1.00 0.00 C ATOM 1134 O THR A 67 -3.567 -5.930 4.879 1.00 0.00 O ATOM 1135 CB THR A 67 -5.812 -7.381 6.822 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.451 -7.085 5.598 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.825 -7.183 7.949 1.00 0.00 C ATOM 0 H THR A 67 -5.733 -4.809 6.693 1.00 0.00 H new ATOM 0 HA THR A 67 -4.052 -6.830 7.913 1.00 0.00 H new ATOM 0 HB THR A 67 -5.472 -8.417 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.250 -7.644 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.694 -7.818 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.367 -7.451 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.138 -6.139 7.978 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.899 -7.873 5.780 1.00 0.00 N ATOM 1146 CA VAL A 68 -2.126 -8.294 4.592 1.00 0.00 C ATOM 1147 C VAL A 68 -3.035 -8.483 3.371 1.00 0.00 C ATOM 1148 O VAL A 68 -2.594 -8.270 2.248 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.311 -9.574 4.890 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.659 -10.196 3.645 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.187 -9.261 5.889 1.00 0.00 C ATOM 0 H VAL A 68 -2.843 -8.523 6.564 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.422 -7.497 4.353 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.029 -10.289 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.105 -11.089 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.432 -10.465 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.023 -9.476 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.382 -10.168 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.475 -8.505 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.619 -8.887 6.817 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.317 -8.809 3.547 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.215 -9.134 2.441 1.00 0.00 C ATOM 1163 C GLU A 69 -5.726 -7.850 1.781 1.00 0.00 C ATOM 1164 O GLU A 69 -5.692 -7.750 0.554 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.341 -10.047 2.955 1.00 0.00 C ATOM 1166 CG GLU A 69 -6.906 -10.981 1.876 1.00 0.00 C ATOM 1167 CD GLU A 69 -7.777 -10.274 0.815 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -8.723 -9.538 1.189 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -7.555 -10.499 -0.400 1.00 0.00 O ATOM 0 H GLU A 69 -4.761 -8.855 4.464 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.684 -9.684 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.963 -10.647 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.148 -9.430 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.077 -11.480 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.500 -11.757 2.359 1.00 0.00 H new ATOM 1176 N LYS A 70 -6.063 -6.817 2.578 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.433 -5.498 2.071 1.00 0.00 C ATOM 1178 C LYS A 70 -5.225 -4.577 1.844 1.00 0.00 C ATOM 1179 O LYS A 70 -5.387 -3.414 1.507 1.00 0.00 O ATOM 1180 CB LYS A 70 -7.674 -4.929 2.792 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.490 -3.919 3.938 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.359 -2.460 3.449 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.239 -1.480 4.232 1.00 0.00 C ATOM 1184 NZ LYS A 70 -8.120 -0.100 3.686 1.00 0.00 N ATOM 0 H LYS A 70 -6.084 -6.883 3.596 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.795 -5.598 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.301 -4.455 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.237 -5.774 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.339 -3.992 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.600 -4.185 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.318 -2.148 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.624 -2.412 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.279 -1.804 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.949 -1.485 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.726 0.544 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.131 0.215 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.420 -0.094 2.690 1.00 0.00 H new ATOM 1198 N ALA A 71 -4.011 -5.116 1.972 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.792 -4.576 1.377 1.00 0.00 C ATOM 1200 C ALA A 71 -2.483 -5.238 0.019 1.00 0.00 C ATOM 1201 O ALA A 71 -2.160 -4.564 -0.961 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.646 -4.796 2.372 1.00 0.00 C ATOM 0 H ALA A 71 -3.847 -5.967 2.510 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.919 -3.512 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.720 -4.402 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.871 -4.280 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.531 -5.863 2.565 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.592 -6.569 -0.058 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.199 -7.374 -1.213 1.00 0.00 C ATOM 1210 C LYS A 72 -3.188 -7.240 -2.358 1.00 0.00 C ATOM 1211 O LYS A 72 -2.784 -7.329 -3.515 1.00 0.00 O ATOM 1212 CB LYS A 72 -2.067 -8.832 -0.735 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.608 -9.825 -1.808 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.439 -11.241 -1.231 1.00 0.00 C ATOM 1215 CE LYS A 72 -0.220 -11.359 -0.303 1.00 0.00 C ATOM 1216 NZ LYS A 72 -0.028 -12.756 0.171 1.00 0.00 N ATOM 0 H LYS A 72 -2.968 -7.130 0.707 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.246 -7.023 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.361 -8.864 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.031 -9.160 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.335 -9.846 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.663 -9.490 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.339 -11.514 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.338 -11.953 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.674 -11.027 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.348 -10.698 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.803 -12.800 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.872 -13.064 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.119 -13.383 -0.646 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.453 -6.956 -2.056 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.471 -6.716 -3.075 1.00 0.00 C ATOM 1232 C ASN A 73 -5.089 -5.581 -4.051 1.00 0.00 C ATOM 1233 O ASN A 73 -5.328 -5.721 -5.249 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.839 -6.454 -2.413 1.00 0.00 C ATOM 1235 CG ASN A 73 -6.893 -5.156 -1.621 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -5.907 -4.682 -1.085 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -8.039 -4.530 -1.526 1.00 0.00 N ATOM 0 H ASN A 73 -4.800 -6.886 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.541 -7.620 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.608 -6.431 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.077 -7.285 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.100 -3.654 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.871 -4.918 -1.971 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.451 -4.510 -3.561 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.943 -3.373 -4.320 1.00 0.00 C ATOM 1246 C TYR A 74 -2.816 -3.824 -5.235 1.00 0.00 C ATOM 1247 O TYR A 74 -2.863 -3.578 -6.431 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.438 -2.272 -3.372 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.455 -1.712 -2.393 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.712 -1.256 -2.844 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -4.121 -1.619 -1.027 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.659 -0.753 -1.928 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -5.042 -1.053 -0.122 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.330 -0.668 -0.557 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.254 -0.236 0.350 1.00 0.00 O ATOM 0 H TYR A 74 -4.267 -4.414 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.756 -2.967 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.597 -2.669 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.055 -1.449 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.950 -1.292 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.165 -1.979 -0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.631 -0.434 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.761 -0.913 0.911 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.859 -0.241 1.247 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.845 -4.566 -4.705 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.691 -5.066 -5.463 1.00 0.00 C ATOM 1267 C ILE A 75 -1.152 -6.049 -6.555 1.00 0.00 C ATOM 1268 O ILE A 75 -0.687 -5.977 -7.693 1.00 0.00 O ATOM 1269 CB ILE A 75 0.344 -5.665 -4.478 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.774 -4.596 -3.435 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.572 -6.197 -5.239 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.648 -5.129 -2.297 1.00 0.00 C ATOM 0 H ILE A 75 -1.834 -4.843 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.194 -4.251 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.121 -6.499 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.316 -3.803 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.121 -4.145 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.287 -6.614 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.259 -6.973 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.040 -5.381 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.899 -4.314 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.105 -5.901 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.564 -5.553 -2.709 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.145 -6.898 -6.268 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.743 -7.863 -7.200 1.00 0.00 C ATOM 1286 C LYS A 76 -3.440 -7.206 -8.392 1.00 0.00 C ATOM 1287 O LYS A 76 -3.412 -7.801 -9.466 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.722 -8.772 -6.433 1.00 0.00 C ATOM 1289 CG LYS A 76 -3.027 -9.884 -5.630 1.00 0.00 C ATOM 1290 CD LYS A 76 -2.712 -11.104 -6.514 1.00 0.00 C ATOM 1291 CE LYS A 76 -2.050 -12.249 -5.734 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.602 -12.006 -5.491 1.00 0.00 N ATOM 0 H LYS A 76 -2.572 -6.934 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.929 -8.454 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.316 -8.161 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.415 -9.226 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.104 -9.499 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.665 -10.189 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.634 -11.466 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.055 -10.797 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.560 -12.377 -4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.172 -13.180 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.200 -12.806 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.108 -11.910 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.484 -11.132 -4.940 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.019 -6.003 -8.247 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.603 -5.287 -9.384 1.00 0.00 C ATOM 1308 C ASN A 77 -3.628 -4.268 -10.001 1.00 0.00 C ATOM 1309 O ASN A 77 -3.617 -4.098 -11.222 1.00 0.00 O ATOM 1310 CB ASN A 77 -5.965 -4.662 -9.045 1.00 0.00 C ATOM 1311 CG ASN A 77 -5.979 -3.454 -8.126 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.900 -2.314 -8.549 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.168 -3.642 -6.846 1.00 0.00 N ATOM 0 H ASN A 77 -4.093 -5.511 -7.357 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.791 -6.036 -10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.445 -4.377 -9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.585 -5.435 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.247 -2.841 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.237 -4.589 -6.474 1.00 0.00 H new ATOM 1597 N GLU A 95 10.554 17.077 -30.199 1.00 0.00 N ATOM 1598 CA GLU A 95 11.842 17.805 -30.194 1.00 0.00 C ATOM 1599 C GLU A 95 12.592 17.755 -31.550 1.00 0.00 C ATOM 1600 O GLU A 95 13.735 18.204 -31.654 1.00 0.00 O ATOM 1601 CB GLU A 95 12.705 17.275 -29.030 1.00 0.00 C ATOM 1602 CG GLU A 95 12.154 17.626 -27.638 1.00 0.00 C ATOM 1603 CD GLU A 95 12.408 19.104 -27.276 1.00 0.00 C ATOM 1604 OE1 GLU A 95 11.554 19.973 -27.580 1.00 0.00 O ATOM 1605 OE2 GLU A 95 13.466 19.410 -26.674 1.00 0.00 O ATOM 0 HA GLU A 95 11.632 18.864 -30.043 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.787 16.191 -29.115 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.713 17.679 -29.124 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.083 17.424 -27.610 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.620 16.984 -26.890 1.00 0.00 H new ATOM 1612 N GLU A 96 11.966 17.208 -32.602 1.00 0.00 N ATOM 1613 CA GLU A 96 12.592 16.871 -33.896 1.00 0.00 C ATOM 1614 C GLU A 96 12.254 17.881 -35.013 1.00 0.00 C ATOM 1615 O GLU A 96 11.756 17.524 -36.085 1.00 0.00 O ATOM 1616 CB GLU A 96 12.290 15.390 -34.230 1.00 0.00 C ATOM 1617 CG GLU A 96 13.476 14.623 -34.833 1.00 0.00 C ATOM 1618 CD GLU A 96 13.916 15.141 -36.217 1.00 0.00 C ATOM 1619 OE1 GLU A 96 13.422 14.625 -37.251 1.00 0.00 O ATOM 1620 OE2 GLU A 96 14.803 16.029 -36.274 1.00 0.00 O ATOM 0 H GLU A 96 10.973 16.978 -32.578 1.00 0.00 H new ATOM 0 HA GLU A 96 13.675 16.967 -33.815 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.969 14.883 -33.320 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.454 15.350 -34.928 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.321 14.683 -34.148 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.209 13.570 -34.918 1.00 0.00 H new ATOM 1627 N VAL A 97 12.496 19.168 -34.736 1.00 0.00 N ATOM 1628 CA VAL A 97 12.248 20.303 -35.648 1.00 0.00 C ATOM 1629 C VAL A 97 13.401 21.316 -35.572 1.00 0.00 C ATOM 1630 O VAL A 97 13.901 21.599 -34.480 1.00 0.00 O ATOM 1631 CB VAL A 97 10.902 20.994 -35.318 1.00 0.00 C ATOM 1632 CG1 VAL A 97 10.578 22.158 -36.268 1.00 0.00 C ATOM 1633 CG2 VAL A 97 9.718 20.019 -35.389 1.00 0.00 C ATOM 0 H VAL A 97 12.884 19.463 -33.840 1.00 0.00 H new ATOM 0 HA VAL A 97 12.191 19.914 -36.665 1.00 0.00 H new ATOM 0 HB VAL A 97 11.032 21.369 -34.303 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.623 22.602 -35.987 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.363 22.912 -36.201 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.518 21.787 -37.291 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.796 20.549 -35.150 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.648 19.604 -36.395 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.868 19.211 -34.673 1.00 0.00 H new ATOM 1643 N SER A 98 13.803 21.889 -36.716 1.00 0.00 N ATOM 1644 CA SER A 98 14.866 22.906 -36.811 1.00 0.00 C ATOM 1645 C SER A 98 14.449 24.143 -37.626 1.00 0.00 C ATOM 1646 O SER A 98 14.340 25.235 -37.059 1.00 0.00 O ATOM 1647 CB SER A 98 16.144 22.261 -37.359 1.00 0.00 C ATOM 1648 OG SER A 98 17.232 23.169 -37.288 1.00 0.00 O ATOM 0 H SER A 98 13.392 21.655 -37.620 1.00 0.00 H new ATOM 0 HA SER A 98 15.059 23.281 -35.806 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.377 21.361 -36.790 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.988 21.953 -38.393 1.00 0.00 H new ATOM 0 HG SER A 98 18.040 22.740 -37.640 1.00 0.00 H new ATOM 1654 N SER A 99 14.148 23.981 -38.925 1.00 0.00 N ATOM 1655 CA SER A 99 13.799 25.082 -39.847 1.00 0.00 C ATOM 1656 C SER A 99 12.639 24.692 -40.772 1.00 0.00 C ATOM 1657 O SER A 99 12.831 23.953 -41.740 1.00 0.00 O ATOM 1658 CB SER A 99 15.019 25.486 -40.693 1.00 0.00 C ATOM 1659 OG SER A 99 16.048 26.036 -39.882 1.00 0.00 O ATOM 0 H SER A 99 14.139 23.066 -39.375 1.00 0.00 H new ATOM 0 HA SER A 99 13.485 25.930 -39.238 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.399 24.615 -41.226 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.718 26.214 -41.446 1.00 0.00 H new ATOM 0 HG SER A 99 16.812 26.282 -40.445 1.00 0.00 H new ATOM 1665 N MET A 100 11.429 25.181 -40.464 1.00 0.00 N ATOM 1666 CA MET A 100 10.167 24.892 -41.184 1.00 0.00 C ATOM 1667 C MET A 100 9.891 23.383 -41.386 1.00 0.00 C ATOM 1668 O MET A 100 9.294 22.961 -42.377 1.00 0.00 O ATOM 1669 CB MET A 100 10.073 25.702 -42.491 1.00 0.00 C ATOM 1670 CG MET A 100 10.217 27.215 -42.270 1.00 0.00 C ATOM 1671 SD MET A 100 9.920 28.240 -43.740 1.00 0.00 S ATOM 1672 CE MET A 100 11.346 27.787 -44.768 1.00 0.00 C ATOM 0 H MET A 100 11.291 25.814 -39.676 1.00 0.00 H new ATOM 0 HA MET A 100 9.359 25.228 -40.534 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.850 25.365 -43.178 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.115 25.500 -42.969 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.522 27.520 -41.487 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.222 27.419 -41.901 1.00 0.00 H new ATOM 0 HE1 MET A 100 11.334 28.375 -45.686 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.267 27.987 -44.221 1.00 0.00 H new ATOM 0 HE3 MET A 100 11.294 26.727 -45.016 1.00 0.00 H new ATOM 1682 N GLU A 101 10.355 22.560 -40.442 1.00 0.00 N ATOM 1683 CA GLU A 101 10.425 21.092 -40.553 1.00 0.00 C ATOM 1684 C GLU A 101 9.223 20.373 -39.900 1.00 0.00 C ATOM 1685 O GLU A 101 9.092 19.149 -39.970 1.00 0.00 O ATOM 1686 CB GLU A 101 11.796 20.676 -39.990 1.00 0.00 C ATOM 1687 CG GLU A 101 12.221 19.229 -40.262 1.00 0.00 C ATOM 1688 CD GLU A 101 13.723 19.028 -39.970 1.00 0.00 C ATOM 1689 OE1 GLU A 101 14.397 18.297 -40.738 1.00 0.00 O ATOM 1690 OE2 GLU A 101 14.243 19.607 -38.985 1.00 0.00 O ATOM 0 H GLU A 101 10.705 22.904 -39.548 1.00 0.00 H new ATOM 0 HA GLU A 101 10.346 20.778 -41.594 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.554 21.341 -40.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.788 20.835 -38.912 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.633 18.551 -39.643 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.012 18.974 -41.301 1.00 0.00 H new ATOM 1697 N ALA A 102 8.318 21.143 -39.290 1.00 0.00 N ATOM 1698 CA ALA A 102 7.101 20.660 -38.637 1.00 0.00 C ATOM 1699 C ALA A 102 6.000 20.252 -39.643 1.00 0.00 C ATOM 1700 O ALA A 102 5.988 20.694 -40.798 1.00 0.00 O ATOM 1701 CB ALA A 102 6.610 21.747 -37.671 1.00 0.00 C ATOM 0 H ALA A 102 8.417 22.157 -39.236 1.00 0.00 H new ATOM 0 HA ALA A 102 7.337 19.749 -38.087 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.702 21.408 -37.172 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.380 21.947 -36.926 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.399 22.660 -38.228 1.00 0.00 H new ATOM 1707 N LYS A 103 5.042 19.435 -39.182 1.00 0.00 N ATOM 1708 CA LYS A 103 3.832 19.039 -39.927 1.00 0.00 C ATOM 1709 C LYS A 103 2.608 19.798 -39.402 1.00 0.00 C ATOM 1710 O LYS A 103 2.291 19.728 -38.212 1.00 0.00 O ATOM 1711 CB LYS A 103 3.641 17.509 -39.850 1.00 0.00 C ATOM 1712 CG LYS A 103 4.733 16.704 -40.581 1.00 0.00 C ATOM 1713 CD LYS A 103 4.626 16.805 -42.113 1.00 0.00 C ATOM 1714 CE LYS A 103 5.706 15.982 -42.828 1.00 0.00 C ATOM 1715 NZ LYS A 103 7.051 16.611 -42.734 1.00 0.00 N ATOM 0 H LYS A 103 5.087 19.017 -38.252 1.00 0.00 H new ATOM 0 HA LYS A 103 3.951 19.305 -40.977 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.622 17.208 -38.803 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.670 17.253 -40.273 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.713 17.061 -40.266 1.00 0.00 H new ATOM 0 HG3 LYS A 103 4.665 15.657 -40.285 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.641 16.461 -42.430 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.710 17.850 -42.413 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.744 14.982 -42.395 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.435 15.865 -43.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.747 16.019 -43.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.024 17.555 -43.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.324 16.700 -41.734 1.00 0.00 H new