USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 922 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 20 ASN : amide:sc= 0.111 K(o=0.23,f=-1.5) USER MOD Set 1.2: A 30 THR OG1 : rot 176:sc= 0.117 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.075) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 71:sc= 1.16 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -4.7 X(o=-4.7,f=-5.2!) USER MOD Single : A 35 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.96) USER MOD Single : A 38 GLN : amide:sc= -0.0185 K(o=-0.018,f=-1) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 139:sc= -10.8! (180deg=-16!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 151:sc= -2.03 (180deg=-3.04!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= -0.0295 (180deg=-0.0295) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.808 K(o=-0.81,f=-6.6!) USER MOD Single : A 81 MET CE :methyl -178:sc= -13.1! (180deg=-13.4!) USER MOD Single : A 82 THR OG1 : rot 173:sc= 0.485 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -156:sc= -4.12 (180deg=-6.23!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -55:sc= -1.12 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -123:sc= -0.0636 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -5.8! C(o=-6.8!,f=-5.8!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.866 -8.890 11.479 1.00 0.00 N ATOM 50 CA GLU A 4 -4.653 -8.081 10.290 1.00 0.00 C ATOM 51 C GLU A 4 -3.375 -7.252 10.434 1.00 0.00 C ATOM 52 O GLU A 4 -2.926 -6.985 11.547 1.00 0.00 O ATOM 53 CB GLU A 4 -5.861 -7.182 10.016 1.00 0.00 C ATOM 54 CG GLU A 4 -6.453 -7.467 8.634 1.00 0.00 C ATOM 55 CD GLU A 4 -7.980 -7.378 8.662 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.481 -6.234 8.732 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.612 -8.455 8.614 1.00 0.00 O ATOM 0 HA GLU A 4 -4.536 -8.748 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.620 -7.343 10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.562 -6.136 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.057 -6.754 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.149 -8.460 8.302 1.00 0.00 H new ATOM 64 N LYS A 5 -2.825 -6.868 9.291 1.00 0.00 N ATOM 65 CA LYS A 5 -1.608 -6.076 9.275 1.00 0.00 C ATOM 66 C LYS A 5 -1.596 -5.191 8.027 1.00 0.00 C ATOM 67 O LYS A 5 -2.313 -5.460 7.064 1.00 0.00 O ATOM 68 CB LYS A 5 -0.379 -6.979 9.400 1.00 0.00 C ATOM 69 CG LYS A 5 -0.122 -7.356 10.860 1.00 0.00 C ATOM 70 CD LYS A 5 -0.387 -8.845 11.096 1.00 0.00 C ATOM 71 CE LYS A 5 0.924 -9.629 11.177 1.00 0.00 C ATOM 72 NZ LYS A 5 1.256 -9.940 12.586 1.00 0.00 N ATOM 0 H LYS A 5 -3.201 -7.091 8.369 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.576 -5.411 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.525 -7.882 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.494 -6.469 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.909 -7.120 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.762 -6.761 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.951 -8.976 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.002 -9.241 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.838 -10.553 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.730 -9.049 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.149 -10.472 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.358 -9.055 13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.494 -10.512 13.004 1.00 0.00 H new ATOM 86 N ILE A 6 -0.775 -4.153 8.084 1.00 0.00 N ATOM 87 CA ILE A 6 -0.661 -3.227 6.970 1.00 0.00 C ATOM 88 C ILE A 6 0.623 -2.409 7.122 1.00 0.00 C ATOM 89 O ILE A 6 0.998 -2.035 8.232 1.00 0.00 O ATOM 90 CB ILE A 6 -1.925 -2.372 6.853 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.850 -2.908 5.759 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.572 -0.899 6.634 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.237 -3.225 6.322 1.00 0.00 C ATOM 0 H ILE A 6 -0.182 -3.933 8.884 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.583 -3.771 6.029 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.469 -2.436 7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.937 -2.173 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.417 -3.807 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.488 -0.313 6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.982 -0.537 7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.994 -0.796 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.876 -3.604 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.148 -3.978 7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.677 -2.319 6.738 1.00 0.00 H new ATOM 105 N LEU A 7 1.262 -2.155 5.990 1.00 0.00 N ATOM 106 CA LEU A 7 2.496 -1.388 5.983 1.00 0.00 C ATOM 107 C LEU A 7 2.262 -0.059 5.262 1.00 0.00 C ATOM 108 O LEU A 7 1.502 0.003 4.297 1.00 0.00 O ATOM 109 CB LEU A 7 3.638 -2.216 5.389 1.00 0.00 C ATOM 110 CG LEU A 7 4.919 -2.286 6.223 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.787 -3.316 7.346 1.00 0.00 C ATOM 112 CD2 LEU A 7 6.136 -2.558 5.336 1.00 0.00 C ATOM 0 H LEU A 7 0.948 -2.467 5.071 1.00 0.00 H new ATOM 0 HA LEU A 7 2.801 -1.149 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.278 -3.232 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.887 -1.806 4.410 1.00 0.00 H new ATOM 0 HG LEU A 7 5.074 -1.315 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.711 -3.345 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.960 -3.038 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.596 -4.300 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.033 -2.603 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.004 -3.508 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.239 -1.757 4.604 1.00 0.00 H new ATOM 124 N ILE A 8 2.929 0.972 5.759 1.00 0.00 N ATOM 125 CA ILE A 8 2.803 2.297 5.175 1.00 0.00 C ATOM 126 C ILE A 8 4.189 2.808 4.776 1.00 0.00 C ATOM 127 O ILE A 8 4.992 3.169 5.635 1.00 0.00 O ATOM 128 CB ILE A 8 2.052 3.232 6.125 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.627 2.734 6.372 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.074 4.672 5.607 1.00 0.00 C ATOM 131 CD1 ILE A 8 0.023 3.393 7.614 1.00 0.00 C ATOM 0 H ILE A 8 3.559 0.917 6.560 1.00 0.00 H new ATOM 0 HA ILE A 8 2.204 2.257 4.265 1.00 0.00 H new ATOM 0 HB ILE A 8 2.566 3.227 7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.006 2.951 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.633 1.651 6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.533 5.316 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.106 5.013 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.598 4.714 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.990 3.021 7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.632 3.154 8.486 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.004 4.474 7.476 1.00 0.00 H new ATOM 143 N VAL A 9 4.427 2.823 3.473 1.00 0.00 N ATOM 144 CA VAL A 9 5.702 3.284 2.950 1.00 0.00 C ATOM 145 C VAL A 9 5.513 4.652 2.291 1.00 0.00 C ATOM 146 O VAL A 9 4.601 4.837 1.487 1.00 0.00 O ATOM 147 CB VAL A 9 6.287 2.238 2.000 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.704 2.621 1.568 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.265 0.846 2.635 1.00 0.00 C ATOM 0 H VAL A 9 3.758 2.523 2.763 1.00 0.00 H new ATOM 0 HA VAL A 9 6.424 3.409 3.757 1.00 0.00 H new ATOM 0 HB VAL A 9 5.661 2.209 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.097 1.861 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.681 3.583 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.345 2.692 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.687 0.122 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.856 0.855 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.237 0.569 2.869 1.00 0.00 H new ATOM 159 N ASP A 10 6.390 5.575 2.657 1.00 0.00 N ATOM 160 CA ASP A 10 6.332 6.920 2.111 1.00 0.00 C ATOM 161 C ASP A 10 4.877 7.394 2.089 1.00 0.00 C ATOM 162 O ASP A 10 4.007 6.766 2.689 1.00 0.00 O ATOM 163 CB ASP A 10 6.863 6.956 0.677 1.00 0.00 C ATOM 164 CG ASP A 10 7.757 8.154 0.348 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.704 8.386 1.129 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.472 8.810 -0.678 1.00 0.00 O ATOM 0 H ASP A 10 7.145 5.418 3.325 1.00 0.00 H new ATOM 0 HA ASP A 10 6.946 7.566 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.425 6.041 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.015 6.955 -0.008 1.00 0.00 H new ATOM 171 N ASP A 11 4.659 8.499 1.390 1.00 0.00 N ATOM 172 CA ASP A 11 3.325 9.064 1.282 1.00 0.00 C ATOM 173 C ASP A 11 2.823 9.447 2.676 1.00 0.00 C ATOM 174 O ASP A 11 1.638 9.720 2.859 1.00 0.00 O ATOM 175 CB ASP A 11 2.344 8.052 0.688 1.00 0.00 C ATOM 176 CG ASP A 11 1.186 8.661 -0.104 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.415 8.982 -1.290 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.096 8.793 0.495 1.00 0.00 O ATOM 0 H ASP A 11 5.384 9.017 0.893 1.00 0.00 H new ATOM 0 HA ASP A 11 3.381 9.937 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.895 7.375 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.933 7.449 1.498 1.00 0.00 H new ATOM 183 N GLN A 12 3.750 9.454 3.622 1.00 0.00 N ATOM 184 CA GLN A 12 3.417 9.798 4.994 1.00 0.00 C ATOM 185 C GLN A 12 3.328 11.318 5.153 1.00 0.00 C ATOM 186 O GLN A 12 4.330 12.019 5.017 1.00 0.00 O ATOM 187 CB GLN A 12 4.432 9.203 5.971 1.00 0.00 C ATOM 188 CG GLN A 12 5.861 9.390 5.459 1.00 0.00 C ATOM 189 CD GLN A 12 6.843 9.552 6.621 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.698 8.716 6.866 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.673 10.669 7.322 1.00 0.00 N ATOM 0 H GLN A 12 4.732 9.227 3.466 1.00 0.00 H new ATOM 0 HA GLN A 12 2.443 9.370 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.326 9.679 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.228 8.141 6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.149 8.532 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.908 10.267 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.938 11.327 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.278 10.868 8.119 1.00 0.00 H new ATOM 200 N TYR A 13 2.121 11.781 5.439 1.00 0.00 N ATOM 201 CA TYR A 13 1.889 13.204 5.619 1.00 0.00 C ATOM 202 C TYR A 13 0.616 13.455 6.430 1.00 0.00 C ATOM 203 O TYR A 13 -0.029 14.491 6.275 1.00 0.00 O ATOM 204 CB TYR A 13 1.706 13.782 4.214 1.00 0.00 C ATOM 205 CG TYR A 13 2.543 15.034 3.942 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.485 16.105 4.810 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.355 15.092 2.828 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.273 17.282 4.554 1.00 0.00 C ATOM 209 CE2 TYR A 13 4.143 16.270 2.572 1.00 0.00 C ATOM 210 CZ TYR A 13 4.063 17.307 3.448 1.00 0.00 C ATOM 211 OH TYR A 13 4.807 18.419 3.206 1.00 0.00 O ATOM 0 H TYR A 13 1.293 11.196 5.551 1.00 0.00 H new ATOM 0 HA TYR A 13 2.719 13.663 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.965 13.018 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.653 14.022 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.848 16.060 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.400 14.254 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.237 18.127 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.783 16.328 1.704 1.00 0.00 H new ATOM 0 HH TYR A 13 5.323 18.294 2.382 1.00 0.00 H new ATOM 221 N GLY A 14 0.292 12.488 7.277 1.00 0.00 N ATOM 222 CA GLY A 14 -0.892 12.591 8.112 1.00 0.00 C ATOM 223 C GLY A 14 -1.995 11.654 7.617 1.00 0.00 C ATOM 224 O GLY A 14 -3.022 11.495 8.275 1.00 0.00 O ATOM 0 H GLY A 14 0.829 11.630 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.637 12.345 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.255 13.619 8.110 1.00 0.00 H new ATOM 228 N ILE A 15 -1.746 11.057 6.460 1.00 0.00 N ATOM 229 CA ILE A 15 -2.705 10.140 5.869 1.00 0.00 C ATOM 230 C ILE A 15 -2.426 8.722 6.371 1.00 0.00 C ATOM 231 O ILE A 15 -3.353 7.946 6.597 1.00 0.00 O ATOM 232 CB ILE A 15 -2.696 10.265 4.344 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.303 11.598 3.900 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.396 9.071 3.692 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.271 12.450 3.158 1.00 0.00 C ATOM 0 H ILE A 15 -0.893 11.191 5.916 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.718 10.395 6.181 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.660 10.254 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.161 11.414 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.671 12.142 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.376 9.185 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.881 8.151 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.430 9.025 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.728 13.392 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.426 12.653 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.923 11.913 2.275 1.00 0.00 H new ATOM 247 N ARG A 16 -1.144 8.427 6.531 1.00 0.00 N ATOM 248 CA ARG A 16 -0.731 7.116 7.002 1.00 0.00 C ATOM 249 C ARG A 16 -1.427 6.784 8.323 1.00 0.00 C ATOM 250 O ARG A 16 -1.817 5.640 8.553 1.00 0.00 O ATOM 251 CB ARG A 16 0.785 7.056 7.202 1.00 0.00 C ATOM 252 CG ARG A 16 1.287 8.285 7.963 1.00 0.00 C ATOM 253 CD ARG A 16 2.696 8.051 8.513 1.00 0.00 C ATOM 254 NE ARG A 16 2.620 7.557 9.906 1.00 0.00 N ATOM 255 CZ ARG A 16 3.624 7.644 10.789 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.786 8.207 10.430 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.465 7.168 12.032 1.00 0.00 N ATOM 0 H ARG A 16 -0.378 9.073 6.343 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.015 6.386 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.047 6.152 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.281 6.996 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.290 9.151 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.606 8.513 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.223 7.328 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.268 8.978 8.478 1.00 0.00 H new ATOM 0 HE ARG A 16 1.749 7.123 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.906 8.570 9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.550 8.273 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.580 6.740 12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.229 7.234 12.705 1.00 0.00 H new ATOM 271 N ILE A 17 -1.561 7.804 9.158 1.00 0.00 N ATOM 272 CA ILE A 17 -2.203 7.634 10.450 1.00 0.00 C ATOM 273 C ILE A 17 -3.701 7.396 10.243 1.00 0.00 C ATOM 274 O ILE A 17 -4.288 6.526 10.883 1.00 0.00 O ATOM 275 CB ILE A 17 -1.890 8.821 11.364 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.381 8.980 11.557 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.628 8.695 12.698 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.005 10.457 11.666 1.00 0.00 C ATOM 0 H ILE A 17 -1.236 8.751 8.965 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.807 6.755 10.959 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.251 9.729 10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.068 8.451 12.457 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.147 8.523 10.720 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.388 9.551 13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.703 8.667 12.518 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.320 7.777 13.199 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.083 10.542 11.803 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.287 10.978 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.505 10.904 12.519 1.00 0.00 H new ATOM 290 N LEU A 18 -4.275 8.185 9.347 1.00 0.00 N ATOM 291 CA LEU A 18 -5.692 8.071 9.048 1.00 0.00 C ATOM 292 C LEU A 18 -6.068 6.591 8.939 1.00 0.00 C ATOM 293 O LEU A 18 -6.917 6.107 9.686 1.00 0.00 O ATOM 294 CB LEU A 18 -6.045 8.888 7.803 1.00 0.00 C ATOM 295 CG LEU A 18 -7.511 9.304 7.667 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.640 10.602 6.868 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.348 8.174 7.065 1.00 0.00 C ATOM 0 H LEU A 18 -3.784 8.906 8.818 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.287 8.494 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.431 9.788 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.769 8.308 6.922 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.905 9.499 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.692 10.876 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.097 11.398 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.224 10.458 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.386 8.496 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.963 7.923 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.292 7.297 7.710 1.00 0.00 H new ATOM 309 N LEU A 19 -5.419 5.916 8.003 1.00 0.00 N ATOM 310 CA LEU A 19 -5.674 4.502 7.787 1.00 0.00 C ATOM 311 C LEU A 19 -5.130 3.703 8.973 1.00 0.00 C ATOM 312 O LEU A 19 -5.577 2.586 9.231 1.00 0.00 O ATOM 313 CB LEU A 19 -5.113 4.056 6.435 1.00 0.00 C ATOM 314 CG LEU A 19 -3.595 4.153 6.275 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.973 2.766 6.095 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.223 5.100 5.132 1.00 0.00 C ATOM 0 H LEU A 19 -4.716 6.322 7.385 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.746 4.311 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.411 3.022 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.580 4.656 5.654 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.182 4.576 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.893 2.863 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.194 2.152 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.389 2.294 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.138 5.151 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.649 4.730 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.616 6.095 5.341 1.00 0.00 H new ATOM 328 N ASN A 20 -4.172 4.306 9.662 1.00 0.00 N ATOM 329 CA ASN A 20 -3.562 3.664 10.814 1.00 0.00 C ATOM 330 C ASN A 20 -4.603 3.527 11.927 1.00 0.00 C ATOM 331 O ASN A 20 -4.919 2.417 12.353 1.00 0.00 O ATOM 332 CB ASN A 20 -2.398 4.496 11.356 1.00 0.00 C ATOM 333 CG ASN A 20 -1.556 3.685 12.342 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.752 2.496 12.534 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.610 4.391 12.954 1.00 0.00 N ATOM 0 H ASN A 20 -3.803 5.232 9.445 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.192 2.688 10.499 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.772 4.834 10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.783 5.388 11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.006 3.940 13.631 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.500 5.384 12.747 1.00 0.00 H new ATOM 342 N GLU A 21 -5.108 4.671 12.366 1.00 0.00 N ATOM 343 CA GLU A 21 -6.107 4.692 13.421 1.00 0.00 C ATOM 344 C GLU A 21 -7.246 3.725 13.093 1.00 0.00 C ATOM 345 O GLU A 21 -7.976 3.294 13.984 1.00 0.00 O ATOM 346 CB GLU A 21 -6.638 6.109 13.644 1.00 0.00 C ATOM 347 CG GLU A 21 -7.725 6.124 14.721 1.00 0.00 C ATOM 348 CD GLU A 21 -7.912 7.531 15.292 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.108 8.455 14.473 1.00 0.00 O ATOM 350 OE2 GLU A 21 -7.854 7.651 16.535 1.00 0.00 O ATOM 0 H GLU A 21 -4.844 5.590 12.010 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.635 4.366 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.820 6.766 13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.041 6.501 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.666 5.771 14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.458 5.435 15.522 1.00 0.00 H new ATOM 357 N VAL A 22 -7.363 3.412 11.810 1.00 0.00 N ATOM 358 CA VAL A 22 -8.401 2.504 11.354 1.00 0.00 C ATOM 359 C VAL A 22 -7.984 1.064 11.659 1.00 0.00 C ATOM 360 O VAL A 22 -8.663 0.363 12.408 1.00 0.00 O ATOM 361 CB VAL A 22 -8.688 2.740 9.869 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.370 1.523 9.242 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.527 4.004 9.668 1.00 0.00 C ATOM 0 H VAL A 22 -6.756 3.771 11.073 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.333 2.693 11.886 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.734 2.887 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.563 1.717 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.721 0.653 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.313 1.331 9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.717 4.149 8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.475 3.899 10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.987 4.865 10.061 1.00 0.00 H new ATOM 373 N PHE A 23 -6.869 0.665 11.064 1.00 0.00 N ATOM 374 CA PHE A 23 -6.353 -0.678 11.264 1.00 0.00 C ATOM 375 C PHE A 23 -5.902 -0.883 12.711 1.00 0.00 C ATOM 376 O PHE A 23 -6.043 -1.974 13.261 1.00 0.00 O ATOM 377 CB PHE A 23 -5.146 -0.836 10.338 1.00 0.00 C ATOM 378 CG PHE A 23 -5.493 -0.790 8.849 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.652 -1.345 8.403 1.00 0.00 C ATOM 380 CD2 PHE A 23 -4.642 -0.194 7.970 1.00 0.00 C ATOM 381 CE1 PHE A 23 -6.974 -1.302 7.021 1.00 0.00 C ATOM 382 CE2 PHE A 23 -4.965 -0.152 6.588 1.00 0.00 C ATOM 383 CZ PHE A 23 -6.124 -0.706 6.142 1.00 0.00 C ATOM 0 H PHE A 23 -6.309 1.249 10.443 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.130 -1.411 11.048 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.427 -0.047 10.557 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.655 -1.784 10.557 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.327 -1.818 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.722 0.247 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.894 -1.743 6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.289 0.320 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.369 -0.673 5.091 1.00 0.00 H new ATOM 393 N ASN A 24 -5.367 0.184 13.287 1.00 0.00 N ATOM 394 CA ASN A 24 -4.894 0.135 14.660 1.00 0.00 C ATOM 395 C ASN A 24 -6.088 -0.044 15.600 1.00 0.00 C ATOM 396 O ASN A 24 -5.986 -0.734 16.614 1.00 0.00 O ATOM 397 CB ASN A 24 -4.181 1.433 15.043 1.00 0.00 C ATOM 398 CG ASN A 24 -3.034 1.161 16.019 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.098 0.435 15.730 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.159 1.784 17.187 1.00 0.00 N ATOM 0 H ASN A 24 -5.251 1.087 12.828 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.197 -0.699 14.747 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.793 1.917 14.147 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.893 2.123 15.496 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.445 1.668 17.906 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.969 2.378 17.364 1.00 0.00 H new ATOM 407 N LYS A 25 -7.191 0.589 15.231 1.00 0.00 N ATOM 408 CA LYS A 25 -8.403 0.508 16.029 1.00 0.00 C ATOM 409 C LYS A 25 -8.752 -0.962 16.271 1.00 0.00 C ATOM 410 O LYS A 25 -9.481 -1.285 17.207 1.00 0.00 O ATOM 411 CB LYS A 25 -9.531 1.308 15.374 1.00 0.00 C ATOM 412 CG LYS A 25 -9.819 2.591 16.156 1.00 0.00 C ATOM 413 CD LYS A 25 -11.233 3.100 15.872 1.00 0.00 C ATOM 414 CE LYS A 25 -11.340 3.657 14.451 1.00 0.00 C ATOM 415 NZ LYS A 25 -12.759 3.840 14.071 1.00 0.00 N ATOM 0 H LYS A 25 -7.271 1.160 14.390 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.246 0.964 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.257 1.557 14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.433 0.698 15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.703 2.404 17.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.092 3.357 15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.949 2.288 16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.495 3.876 16.591 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.815 4.610 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.855 2.978 13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.813 4.219 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.250 2.924 14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.212 4.506 14.729 1.00 0.00 H new ATOM 429 N GLU A 26 -8.215 -1.814 15.410 1.00 0.00 N ATOM 430 CA GLU A 26 -8.461 -3.242 15.518 1.00 0.00 C ATOM 431 C GLU A 26 -7.334 -3.916 16.304 1.00 0.00 C ATOM 432 O GLU A 26 -7.514 -5.009 16.839 1.00 0.00 O ATOM 433 CB GLU A 26 -8.620 -3.877 14.135 1.00 0.00 C ATOM 434 CG GLU A 26 -9.855 -3.327 13.419 1.00 0.00 C ATOM 435 CD GLU A 26 -11.113 -4.097 13.826 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.265 -5.237 13.335 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.895 -3.528 14.618 1.00 0.00 O ATOM 0 H GLU A 26 -7.610 -1.543 14.635 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.395 -3.390 16.059 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.731 -3.681 13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.705 -4.959 14.235 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.978 -2.271 13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.715 -3.396 12.340 1.00 0.00 H new ATOM 444 N GLY A 27 -6.198 -3.236 16.350 1.00 0.00 N ATOM 445 CA GLY A 27 -5.043 -3.756 17.062 1.00 0.00 C ATOM 446 C GLY A 27 -4.046 -4.397 16.095 1.00 0.00 C ATOM 447 O GLY A 27 -3.146 -5.122 16.516 1.00 0.00 O ATOM 0 H GLY A 27 -6.053 -2.329 15.906 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.556 -2.950 17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.366 -4.492 17.798 1.00 0.00 H new ATOM 451 N TYR A 28 -4.239 -4.106 14.817 1.00 0.00 N ATOM 452 CA TYR A 28 -3.368 -4.645 13.787 1.00 0.00 C ATOM 453 C TYR A 28 -1.962 -4.052 13.892 1.00 0.00 C ATOM 454 O TYR A 28 -1.796 -2.913 14.326 1.00 0.00 O ATOM 455 CB TYR A 28 -3.986 -4.228 12.451 1.00 0.00 C ATOM 456 CG TYR A 28 -5.412 -4.739 12.238 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.914 -5.740 13.044 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.198 -4.198 11.241 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.256 -6.221 12.845 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.540 -4.679 11.041 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.003 -5.667 11.852 1.00 0.00 C ATOM 462 OH TYR A 28 -9.271 -6.121 11.664 1.00 0.00 O ATOM 0 H TYR A 28 -4.986 -3.504 14.471 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.280 -5.727 13.887 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.988 -3.140 12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.355 -4.594 11.641 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.299 -6.163 13.825 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.806 -3.413 10.611 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.661 -7.004 13.470 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.165 -4.264 10.264 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.838 -5.823 12.405 1.00 0.00 H new ATOM 472 N GLN A 29 -0.985 -4.851 13.488 1.00 0.00 N ATOM 473 CA GLN A 29 0.402 -4.419 13.531 1.00 0.00 C ATOM 474 C GLN A 29 0.790 -3.748 12.212 1.00 0.00 C ATOM 475 O GLN A 29 0.862 -4.405 11.175 1.00 0.00 O ATOM 476 CB GLN A 29 1.332 -5.592 13.845 1.00 0.00 C ATOM 477 CG GLN A 29 2.217 -5.283 15.054 1.00 0.00 C ATOM 478 CD GLN A 29 2.956 -6.536 15.527 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.982 -6.923 14.992 1.00 0.00 O ATOM 480 NE2 GLN A 29 2.380 -7.147 16.559 1.00 0.00 N ATOM 0 H GLN A 29 -1.127 -5.795 13.129 1.00 0.00 H new ATOM 0 HA GLN A 29 0.510 -3.688 14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.741 -6.486 14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.957 -5.807 12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.938 -4.508 14.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.605 -4.889 15.866 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.521 -6.770 16.960 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.797 -7.992 16.949 1.00 0.00 H new ATOM 489 N THR A 30 1.030 -2.448 12.295 1.00 0.00 N ATOM 490 CA THR A 30 1.410 -1.681 11.121 1.00 0.00 C ATOM 491 C THR A 30 2.795 -1.061 11.314 1.00 0.00 C ATOM 492 O THR A 30 3.184 -0.737 12.435 1.00 0.00 O ATOM 493 CB THR A 30 0.313 -0.647 10.856 1.00 0.00 C ATOM 494 OG1 THR A 30 0.182 0.044 12.095 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.058 -1.291 10.641 1.00 0.00 C ATOM 0 H THR A 30 0.969 -1.906 13.157 1.00 0.00 H new ATOM 0 HA THR A 30 1.494 -2.320 10.242 1.00 0.00 H new ATOM 0 HB THR A 30 0.576 -0.054 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.459 0.778 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.800 -0.514 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.014 -1.962 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.338 -1.857 11.530 1.00 0.00 H new ATOM 503 N PHE A 31 3.502 -0.914 10.203 1.00 0.00 N ATOM 504 CA PHE A 31 4.836 -0.338 10.235 1.00 0.00 C ATOM 505 C PHE A 31 5.032 0.658 9.090 1.00 0.00 C ATOM 506 O PHE A 31 4.253 0.676 8.139 1.00 0.00 O ATOM 507 CB PHE A 31 5.826 -1.493 10.066 1.00 0.00 C ATOM 508 CG PHE A 31 6.940 -1.516 11.114 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.038 -0.730 10.957 1.00 0.00 C ATOM 510 CD2 PHE A 31 6.832 -2.324 12.203 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.072 -0.752 11.929 1.00 0.00 C ATOM 512 CE2 PHE A 31 7.867 -2.346 13.176 1.00 0.00 C ATOM 513 CZ PHE A 31 8.965 -1.559 13.018 1.00 0.00 C ATOM 0 H PHE A 31 3.176 -1.184 9.275 1.00 0.00 H new ATOM 0 HA PHE A 31 4.988 0.195 11.174 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.280 -2.435 10.110 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.275 -1.431 9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.124 -0.089 10.092 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.960 -2.949 12.328 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.944 -0.127 11.804 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.782 -2.987 14.041 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.752 -1.575 13.758 1.00 0.00 H new ATOM 523 N GLN A 32 6.076 1.462 9.221 1.00 0.00 N ATOM 524 CA GLN A 32 6.384 2.459 8.209 1.00 0.00 C ATOM 525 C GLN A 32 7.768 2.199 7.612 1.00 0.00 C ATOM 526 O GLN A 32 8.640 1.641 8.276 1.00 0.00 O ATOM 527 CB GLN A 32 6.293 3.873 8.786 1.00 0.00 C ATOM 528 CG GLN A 32 4.887 4.158 9.317 1.00 0.00 C ATOM 529 CD GLN A 32 4.946 4.920 10.643 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.789 5.775 10.861 1.00 0.00 O ATOM 531 NE2 GLN A 32 4.006 4.563 11.514 1.00 0.00 N ATOM 0 H GLN A 32 6.720 1.444 10.012 1.00 0.00 H new ATOM 0 HA GLN A 32 5.645 2.379 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.020 3.989 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.550 4.601 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.328 4.740 8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.350 3.220 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.331 3.840 11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.961 5.013 12.428 1.00 0.00 H new ATOM 540 N ALA A 33 7.927 2.615 6.364 1.00 0.00 N ATOM 541 CA ALA A 33 9.191 2.434 5.670 1.00 0.00 C ATOM 542 C ALA A 33 9.544 3.720 4.919 1.00 0.00 C ATOM 543 O ALA A 33 8.706 4.609 4.775 1.00 0.00 O ATOM 544 CB ALA A 33 9.094 1.224 4.739 1.00 0.00 C ATOM 0 H ALA A 33 7.202 3.077 5.815 1.00 0.00 H new ATOM 0 HA ALA A 33 9.994 2.235 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.042 1.088 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.870 0.332 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.300 1.388 4.010 1.00 0.00 H new ATOM 550 N ALA A 34 10.785 3.777 4.460 1.00 0.00 N ATOM 551 CA ALA A 34 11.260 4.939 3.727 1.00 0.00 C ATOM 552 C ALA A 34 11.965 4.479 2.450 1.00 0.00 C ATOM 553 O ALA A 34 13.053 4.956 2.131 1.00 0.00 O ATOM 554 CB ALA A 34 12.172 5.774 4.629 1.00 0.00 C ATOM 0 H ALA A 34 11.477 3.037 4.581 1.00 0.00 H new ATOM 0 HA ALA A 34 10.425 5.574 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.528 6.645 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.615 6.101 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.023 5.171 4.944 1.00 0.00 H new ATOM 560 N ASN A 35 11.317 3.556 1.754 1.00 0.00 N ATOM 561 CA ASN A 35 11.869 3.026 0.519 1.00 0.00 C ATOM 562 C ASN A 35 11.209 1.681 0.207 1.00 0.00 C ATOM 563 O ASN A 35 10.280 1.266 0.898 1.00 0.00 O ATOM 564 CB ASN A 35 13.376 2.796 0.643 1.00 0.00 C ATOM 565 CG ASN A 35 14.156 3.796 -0.214 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.795 4.102 -1.338 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.241 4.285 0.379 1.00 0.00 N ATOM 0 H ASN A 35 10.415 3.162 2.022 1.00 0.00 H new ATOM 0 HA ASN A 35 11.679 3.750 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.678 2.893 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.619 1.779 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.829 4.960 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.485 3.985 1.323 1.00 0.00 H new ATOM 574 N GLY A 36 11.717 1.037 -0.833 1.00 0.00 N ATOM 575 CA GLY A 36 11.189 -0.253 -1.245 1.00 0.00 C ATOM 576 C GLY A 36 11.810 -1.386 -0.426 1.00 0.00 C ATOM 577 O GLY A 36 11.095 -2.171 0.196 1.00 0.00 O ATOM 0 H GLY A 36 12.489 1.384 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.106 -0.263 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.392 -0.412 -2.304 1.00 0.00 H new ATOM 581 N LEU A 37 13.133 -1.436 -0.452 1.00 0.00 N ATOM 582 CA LEU A 37 13.859 -2.460 0.280 1.00 0.00 C ATOM 583 C LEU A 37 13.367 -2.491 1.728 1.00 0.00 C ATOM 584 O LEU A 37 12.933 -3.532 2.219 1.00 0.00 O ATOM 585 CB LEU A 37 15.368 -2.247 0.147 1.00 0.00 C ATOM 586 CG LEU A 37 16.184 -3.470 -0.278 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.455 -3.050 -1.018 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.489 -4.369 0.922 1.00 0.00 C ATOM 0 H LEU A 37 13.722 -0.783 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 37 13.662 -3.444 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.540 -1.451 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.751 -1.895 1.105 1.00 0.00 H new ATOM 0 HG LEU A 37 15.585 -4.056 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.017 -3.938 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.187 -2.482 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.069 -2.430 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.070 -5.231 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.060 -3.808 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.555 -4.710 1.368 1.00 0.00 H new ATOM 600 N GLN A 38 13.451 -1.336 2.372 1.00 0.00 N ATOM 601 CA GLN A 38 13.020 -1.217 3.755 1.00 0.00 C ATOM 602 C GLN A 38 11.636 -1.845 3.935 1.00 0.00 C ATOM 603 O GLN A 38 11.315 -2.349 5.010 1.00 0.00 O ATOM 604 CB GLN A 38 13.021 0.245 4.205 1.00 0.00 C ATOM 605 CG GLN A 38 14.256 0.557 5.052 1.00 0.00 C ATOM 606 CD GLN A 38 14.321 2.046 5.400 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.324 2.911 4.540 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.373 2.295 6.705 1.00 0.00 N ATOM 0 H GLN A 38 13.811 -0.474 1.962 1.00 0.00 H new ATOM 0 HA GLN A 38 13.728 -1.757 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.000 0.898 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.119 0.453 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.232 -0.033 5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.156 0.267 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.367 1.523 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.419 3.258 7.039 1.00 0.00 H new ATOM 617 N ALA A 39 10.855 -1.794 2.867 1.00 0.00 N ATOM 618 CA ALA A 39 9.513 -2.352 2.894 1.00 0.00 C ATOM 619 C ALA A 39 9.581 -3.848 2.578 1.00 0.00 C ATOM 620 O ALA A 39 8.742 -4.621 3.037 1.00 0.00 O ATOM 621 CB ALA A 39 8.623 -1.589 1.911 1.00 0.00 C ATOM 0 H ALA A 39 11.125 -1.375 1.977 1.00 0.00 H new ATOM 0 HA ALA A 39 9.072 -2.244 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.617 -2.007 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.585 -0.538 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.033 -1.678 0.905 1.00 0.00 H new ATOM 627 N LEU A 40 10.589 -4.210 1.798 1.00 0.00 N ATOM 628 CA LEU A 40 10.777 -5.599 1.416 1.00 0.00 C ATOM 629 C LEU A 40 11.047 -6.436 2.668 1.00 0.00 C ATOM 630 O LEU A 40 10.525 -7.541 2.805 1.00 0.00 O ATOM 631 CB LEU A 40 11.868 -5.719 0.350 1.00 0.00 C ATOM 632 CG LEU A 40 11.427 -5.459 -1.092 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.584 -5.684 -2.068 1.00 0.00 C ATOM 634 CD2 LEU A 40 10.202 -6.302 -1.452 1.00 0.00 C ATOM 0 H LEU A 40 11.284 -3.566 1.420 1.00 0.00 H new ATOM 0 HA LEU A 40 9.870 -5.993 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.668 -5.020 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.293 -6.721 0.404 1.00 0.00 H new ATOM 0 HG LEU A 40 11.133 -4.413 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.244 -5.493 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.402 -5.006 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.931 -6.714 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.910 -6.098 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.444 -7.359 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.378 -6.050 -0.784 1.00 0.00 H new ATOM 646 N ASP A 41 11.862 -5.877 3.550 1.00 0.00 N ATOM 647 CA ASP A 41 12.208 -6.557 4.787 1.00 0.00 C ATOM 648 C ASP A 41 11.032 -6.464 5.761 1.00 0.00 C ATOM 649 O ASP A 41 10.580 -7.477 6.293 1.00 0.00 O ATOM 650 CB ASP A 41 13.425 -5.910 5.450 1.00 0.00 C ATOM 651 CG ASP A 41 13.979 -6.664 6.661 1.00 0.00 C ATOM 652 OD1 ASP A 41 13.810 -7.902 6.683 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.559 -5.985 7.535 1.00 0.00 O ATOM 0 H ASP A 41 12.293 -4.960 3.433 1.00 0.00 H new ATOM 0 HA ASP A 41 12.438 -7.595 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.217 -5.815 4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.157 -4.900 5.761 1.00 0.00 H new ATOM 658 N ILE A 42 10.570 -5.239 5.966 1.00 0.00 N ATOM 659 CA ILE A 42 9.456 -5.000 6.867 1.00 0.00 C ATOM 660 C ILE A 42 8.213 -5.716 6.335 1.00 0.00 C ATOM 661 O ILE A 42 7.270 -5.970 7.083 1.00 0.00 O ATOM 662 CB ILE A 42 9.255 -3.499 7.084 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.507 -2.860 7.687 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.009 -3.230 7.931 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.305 -2.550 9.171 1.00 0.00 C ATOM 0 H ILE A 42 10.947 -4.401 5.523 1.00 0.00 H new ATOM 0 HA ILE A 42 9.667 -5.416 7.852 1.00 0.00 H new ATOM 0 HB ILE A 42 9.091 -3.032 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.357 -3.531 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.746 -1.942 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.889 -2.156 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.131 -3.631 7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.118 -3.712 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.210 -2.096 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.470 -1.859 9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.091 -3.473 9.710 1.00 0.00 H new ATOM 677 N VAL A 43 8.251 -6.022 5.046 1.00 0.00 N ATOM 678 CA VAL A 43 7.139 -6.704 4.405 1.00 0.00 C ATOM 679 C VAL A 43 6.868 -8.022 5.133 1.00 0.00 C ATOM 680 O VAL A 43 5.763 -8.247 5.625 1.00 0.00 O ATOM 681 CB VAL A 43 7.430 -6.892 2.915 1.00 0.00 C ATOM 682 CG1 VAL A 43 7.073 -8.309 2.462 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.694 -5.846 2.076 1.00 0.00 C ATOM 0 H VAL A 43 9.034 -5.810 4.428 1.00 0.00 H new ATOM 0 HA VAL A 43 6.232 -6.103 4.472 1.00 0.00 H new ATOM 0 HB VAL A 43 8.500 -6.751 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.289 -8.417 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.662 -9.031 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.012 -8.490 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.918 -6.002 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.620 -5.941 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.018 -4.848 2.372 1.00 0.00 H new ATOM 693 N THR A 44 7.894 -8.859 5.178 1.00 0.00 N ATOM 694 CA THR A 44 7.780 -10.148 5.837 1.00 0.00 C ATOM 695 C THR A 44 7.839 -9.978 7.357 1.00 0.00 C ATOM 696 O THR A 44 7.173 -10.704 8.093 1.00 0.00 O ATOM 697 CB THR A 44 8.877 -11.060 5.285 1.00 0.00 C ATOM 698 OG1 THR A 44 8.688 -11.016 3.873 1.00 0.00 O ATOM 699 CG2 THR A 44 8.653 -12.530 5.645 1.00 0.00 C ATOM 0 H THR A 44 8.809 -8.669 4.768 1.00 0.00 H new ATOM 0 HA THR A 44 6.816 -10.613 5.631 1.00 0.00 H new ATOM 0 HB THR A 44 9.845 -10.736 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.360 -11.580 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.460 -13.133 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.639 -12.641 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.701 -12.864 5.234 1.00 0.00 H new ATOM 707 N LYS A 45 8.643 -9.014 7.781 1.00 0.00 N ATOM 708 CA LYS A 45 8.798 -8.739 9.199 1.00 0.00 C ATOM 709 C LYS A 45 7.430 -8.417 9.804 1.00 0.00 C ATOM 710 O LYS A 45 7.109 -8.873 10.901 1.00 0.00 O ATOM 711 CB LYS A 45 9.842 -7.643 9.422 1.00 0.00 C ATOM 712 CG LYS A 45 10.925 -8.107 10.397 1.00 0.00 C ATOM 713 CD LYS A 45 11.188 -7.048 11.469 1.00 0.00 C ATOM 714 CE LYS A 45 12.267 -7.515 12.448 1.00 0.00 C ATOM 715 NZ LYS A 45 13.615 -7.300 11.876 1.00 0.00 N ATOM 0 H LYS A 45 9.194 -8.414 7.167 1.00 0.00 H new ATOM 0 HA LYS A 45 9.178 -9.619 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.297 -7.371 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.357 -6.748 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.618 -9.040 10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.846 -8.314 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.499 -6.116 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.266 -6.838 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.173 -6.971 13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.127 -8.572 12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.335 -7.622 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.707 -7.839 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.752 -6.288 11.681 1.00 0.00 H new ATOM 729 N GLU A 46 6.660 -7.634 9.063 1.00 0.00 N ATOM 730 CA GLU A 46 5.334 -7.246 9.512 1.00 0.00 C ATOM 731 C GLU A 46 4.265 -8.056 8.775 1.00 0.00 C ATOM 732 O GLU A 46 3.079 -7.950 9.082 1.00 0.00 O ATOM 733 CB GLU A 46 5.109 -5.744 9.326 1.00 0.00 C ATOM 734 CG GLU A 46 5.324 -4.990 10.640 1.00 0.00 C ATOM 735 CD GLU A 46 4.050 -4.259 11.067 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.349 -3.763 10.159 1.00 0.00 O ATOM 737 OE2 GLU A 46 3.806 -4.212 12.292 1.00 0.00 O ATOM 0 H GLU A 46 6.929 -7.258 8.154 1.00 0.00 H new ATOM 0 HA GLU A 46 5.256 -7.462 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.792 -5.362 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.097 -5.567 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.625 -5.690 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.137 -4.273 10.523 1.00 0.00 H new ATOM 744 N ARG A 47 4.724 -8.846 7.816 1.00 0.00 N ATOM 745 CA ARG A 47 3.822 -9.673 7.032 1.00 0.00 C ATOM 746 C ARG A 47 2.423 -9.055 7.005 1.00 0.00 C ATOM 747 O ARG A 47 1.459 -9.672 7.456 1.00 0.00 O ATOM 748 CB ARG A 47 3.736 -11.089 7.605 1.00 0.00 C ATOM 749 CG ARG A 47 3.498 -11.056 9.116 1.00 0.00 C ATOM 750 CD ARG A 47 2.509 -12.143 9.540 1.00 0.00 C ATOM 751 NE ARG A 47 2.919 -13.449 8.976 1.00 0.00 N ATOM 752 CZ ARG A 47 2.402 -14.626 9.353 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.451 -14.668 10.296 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.835 -15.760 8.786 1.00 0.00 N ATOM 0 H ARG A 47 5.709 -8.931 7.564 1.00 0.00 H new ATOM 0 HA ARG A 47 4.218 -9.727 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.927 -11.634 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.658 -11.629 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.444 -11.196 9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.115 -10.078 9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.468 -12.204 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.506 -11.888 9.197 1.00 0.00 H new ATOM 0 HE ARG A 47 3.641 -13.453 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.121 -13.804 10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.057 -15.564 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.558 -15.727 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.442 -16.656 9.073 1.00 0.00 H new ATOM 768 N PRO A 48 2.354 -7.812 6.458 1.00 0.00 N ATOM 769 CA PRO A 48 1.089 -7.103 6.366 1.00 0.00 C ATOM 770 C PRO A 48 0.217 -7.681 5.250 1.00 0.00 C ATOM 771 O PRO A 48 0.726 -8.294 4.313 1.00 0.00 O ATOM 772 CB PRO A 48 1.468 -5.650 6.132 1.00 0.00 C ATOM 773 CG PRO A 48 2.906 -5.668 5.639 1.00 0.00 C ATOM 774 CD PRO A 48 3.475 -7.051 5.913 1.00 0.00 C ATOM 0 HA PRO A 48 0.485 -7.202 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.809 -5.188 5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.377 -5.070 7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.947 -5.442 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.494 -4.905 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.859 -7.509 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.304 -7.005 6.620 1.00 0.00 H new ATOM 782 N ASP A 49 -1.083 -7.465 5.386 1.00 0.00 N ATOM 783 CA ASP A 49 -2.031 -7.956 4.401 1.00 0.00 C ATOM 784 C ASP A 49 -2.175 -6.925 3.280 1.00 0.00 C ATOM 785 O ASP A 49 -2.812 -7.194 2.262 1.00 0.00 O ATOM 786 CB ASP A 49 -3.411 -8.172 5.024 1.00 0.00 C ATOM 787 CG ASP A 49 -3.662 -9.580 5.569 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.665 -10.323 5.702 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.844 -9.882 5.840 1.00 0.00 O ATOM 0 H ASP A 49 -1.502 -6.956 6.164 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.656 -8.905 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.543 -7.456 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.170 -7.948 4.275 1.00 0.00 H new ATOM 794 N LEU A 50 -1.573 -5.766 3.504 1.00 0.00 N ATOM 795 CA LEU A 50 -1.627 -4.694 2.525 1.00 0.00 C ATOM 796 C LEU A 50 -0.589 -3.629 2.885 1.00 0.00 C ATOM 797 O LEU A 50 -0.433 -3.278 4.054 1.00 0.00 O ATOM 798 CB LEU A 50 -3.051 -4.148 2.405 1.00 0.00 C ATOM 799 CG LEU A 50 -3.490 -3.723 1.002 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.868 -4.940 0.154 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.623 -2.697 1.070 1.00 0.00 C ATOM 0 H LEU A 50 -1.046 -5.546 4.349 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.370 -5.070 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.743 -4.910 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.147 -3.290 3.070 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.646 -3.238 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.176 -4.611 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.007 -5.603 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.690 -5.474 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.916 -2.411 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.478 -3.133 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.283 -1.815 1.612 1.00 0.00 H new ATOM 813 N VAL A 51 0.095 -3.144 1.859 1.00 0.00 N ATOM 814 CA VAL A 51 1.114 -2.126 2.052 1.00 0.00 C ATOM 815 C VAL A 51 0.928 -1.020 1.011 1.00 0.00 C ATOM 816 O VAL A 51 0.791 -1.300 -0.179 1.00 0.00 O ATOM 817 CB VAL A 51 2.505 -2.763 2.006 1.00 0.00 C ATOM 818 CG1 VAL A 51 2.539 -3.935 1.024 1.00 0.00 C ATOM 819 CG2 VAL A 51 3.572 -1.723 1.657 1.00 0.00 C ATOM 0 H VAL A 51 -0.037 -3.437 0.891 1.00 0.00 H new ATOM 0 HA VAL A 51 1.014 -1.667 3.035 1.00 0.00 H new ATOM 0 HB VAL A 51 2.729 -3.152 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.539 -4.370 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.819 -4.691 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.284 -3.580 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.551 -2.201 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.353 -1.291 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.573 -0.936 2.411 1.00 0.00 H new ATOM 829 N LEU A 52 0.929 0.212 1.497 1.00 0.00 N ATOM 830 CA LEU A 52 0.763 1.361 0.624 1.00 0.00 C ATOM 831 C LEU A 52 2.131 1.985 0.343 1.00 0.00 C ATOM 832 O LEU A 52 2.841 2.376 1.268 1.00 0.00 O ATOM 833 CB LEU A 52 -0.251 2.342 1.217 1.00 0.00 C ATOM 834 CG LEU A 52 0.290 3.727 1.581 1.00 0.00 C ATOM 835 CD1 LEU A 52 -0.799 4.793 1.446 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.917 3.721 2.976 1.00 0.00 C ATOM 0 H LEU A 52 1.042 0.440 2.485 1.00 0.00 H new ATOM 0 HA LEU A 52 0.350 1.053 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.065 2.468 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.679 1.894 2.114 1.00 0.00 H new ATOM 0 HG LEU A 52 1.080 3.982 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.389 5.768 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.159 4.817 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.627 4.554 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.294 4.717 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.165 3.435 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.740 3.007 3.002 1.00 0.00 H new ATOM 848 N LEU A 53 2.460 2.060 -0.939 1.00 0.00 N ATOM 849 CA LEU A 53 3.730 2.630 -1.353 1.00 0.00 C ATOM 850 C LEU A 53 3.480 3.713 -2.404 1.00 0.00 C ATOM 851 O LEU A 53 2.690 3.518 -3.327 1.00 0.00 O ATOM 852 CB LEU A 53 4.684 1.529 -1.821 1.00 0.00 C ATOM 853 CG LEU A 53 6.138 1.951 -2.045 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.983 0.772 -2.530 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.221 3.146 -2.997 1.00 0.00 C ATOM 0 H LEU A 53 1.869 1.735 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 53 4.224 3.112 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.669 0.726 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.299 1.114 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 53 6.552 2.271 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.012 1.099 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.961 -0.023 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.579 0.398 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.265 3.426 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.783 2.877 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.674 3.988 -2.573 1.00 0.00 H new ATOM 867 N ASP A 54 4.167 4.832 -2.229 1.00 0.00 N ATOM 868 CA ASP A 54 4.029 5.947 -3.151 1.00 0.00 C ATOM 869 C ASP A 54 5.130 5.868 -4.210 1.00 0.00 C ATOM 870 O ASP A 54 6.304 5.705 -3.879 1.00 0.00 O ATOM 871 CB ASP A 54 4.169 7.285 -2.422 1.00 0.00 C ATOM 872 CG ASP A 54 4.923 8.368 -3.197 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.738 8.414 -4.432 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.667 9.124 -2.537 1.00 0.00 O ATOM 0 H ASP A 54 4.821 4.991 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 54 3.041 5.886 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.173 7.657 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.681 7.114 -1.475 1.00 0.00 H new ATOM 879 N MET A 55 4.713 5.986 -5.462 1.00 0.00 N ATOM 880 CA MET A 55 5.650 5.930 -6.571 1.00 0.00 C ATOM 881 C MET A 55 6.767 6.961 -6.399 1.00 0.00 C ATOM 882 O MET A 55 7.919 6.600 -6.163 1.00 0.00 O ATOM 883 CB MET A 55 4.906 6.196 -7.881 1.00 0.00 C ATOM 884 CG MET A 55 3.650 5.329 -7.985 1.00 0.00 C ATOM 885 SD MET A 55 4.019 3.657 -7.479 1.00 0.00 S ATOM 886 CE MET A 55 3.377 3.690 -5.813 1.00 0.00 C ATOM 0 H MET A 55 3.739 6.120 -5.733 1.00 0.00 H new ATOM 0 HA MET A 55 6.099 4.937 -6.593 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.631 7.249 -7.940 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.564 5.991 -8.725 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.860 5.742 -7.357 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.278 5.334 -9.010 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.856 2.755 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.200 3.812 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.683 4.523 -5.707 1.00 0.00 H new ATOM 896 N LYS A 56 6.386 8.224 -6.523 1.00 0.00 N ATOM 897 CA LYS A 56 7.341 9.310 -6.384 1.00 0.00 C ATOM 898 C LYS A 56 8.081 9.166 -5.053 1.00 0.00 C ATOM 899 O LYS A 56 7.522 9.449 -3.994 1.00 0.00 O ATOM 900 CB LYS A 56 6.645 10.662 -6.557 1.00 0.00 C ATOM 901 CG LYS A 56 7.181 11.402 -7.784 1.00 0.00 C ATOM 902 CD LYS A 56 8.212 12.457 -7.381 1.00 0.00 C ATOM 903 CE LYS A 56 9.569 12.174 -8.030 1.00 0.00 C ATOM 904 NZ LYS A 56 10.516 11.626 -7.034 1.00 0.00 N ATOM 0 H LYS A 56 5.429 8.519 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 56 8.091 9.260 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.570 10.511 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.798 11.270 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.635 10.690 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.357 11.878 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.862 13.445 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.319 12.470 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.446 11.467 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.973 13.092 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.431 11.440 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.647 12.313 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.136 10.739 -6.645 1.00 0.00 H new ATOM 918 N ILE A 57 9.327 8.726 -5.149 1.00 0.00 N ATOM 919 CA ILE A 57 10.149 8.541 -3.965 1.00 0.00 C ATOM 920 C ILE A 57 11.563 9.054 -4.246 1.00 0.00 C ATOM 921 O ILE A 57 11.995 9.094 -5.397 1.00 0.00 O ATOM 922 CB ILE A 57 10.104 7.083 -3.504 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.356 6.950 -2.176 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.511 6.487 -3.432 1.00 0.00 C ATOM 925 CD1 ILE A 57 9.177 5.480 -1.792 1.00 0.00 C ATOM 0 H ILE A 57 9.787 8.492 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 57 9.756 9.126 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 57 9.548 6.508 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.906 7.470 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.381 7.430 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.450 5.450 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.974 6.527 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.112 7.058 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.643 5.414 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.606 4.968 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.155 5.009 -1.691 1.00 0.00 H new ATOM 937 N PRO A 58 12.262 9.443 -3.147 1.00 0.00 N ATOM 938 CA PRO A 58 13.618 9.952 -3.263 1.00 0.00 C ATOM 939 C PRO A 58 14.608 8.816 -3.533 1.00 0.00 C ATOM 940 O PRO A 58 14.655 7.839 -2.788 1.00 0.00 O ATOM 941 CB PRO A 58 13.883 10.671 -1.951 1.00 0.00 C ATOM 942 CG PRO A 58 12.847 10.145 -0.971 1.00 0.00 C ATOM 943 CD PRO A 58 11.782 9.410 -1.768 1.00 0.00 C ATOM 0 HA PRO A 58 13.741 10.632 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.894 10.473 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.793 11.751 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.312 9.476 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.403 10.966 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.660 8.386 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.811 9.897 -1.675 1.00 0.00 H new ATOM 951 N GLY A 59 15.374 8.984 -4.601 1.00 0.00 N ATOM 952 CA GLY A 59 16.360 7.986 -4.979 1.00 0.00 C ATOM 953 C GLY A 59 15.688 6.758 -5.596 1.00 0.00 C ATOM 954 O GLY A 59 14.987 6.017 -4.908 1.00 0.00 O ATOM 0 H GLY A 59 15.332 9.796 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.064 8.416 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.936 7.688 -4.103 1.00 0.00 H new ATOM 958 N MET A 60 15.926 6.579 -6.887 1.00 0.00 N ATOM 959 CA MET A 60 15.352 5.453 -7.605 1.00 0.00 C ATOM 960 C MET A 60 13.850 5.341 -7.339 1.00 0.00 C ATOM 961 O MET A 60 13.435 4.751 -6.342 1.00 0.00 O ATOM 962 CB MET A 60 16.047 4.162 -7.168 1.00 0.00 C ATOM 963 CG MET A 60 16.649 3.430 -8.369 1.00 0.00 C ATOM 964 SD MET A 60 16.793 1.687 -8.012 1.00 0.00 S ATOM 965 CE MET A 60 15.068 1.227 -8.011 1.00 0.00 C ATOM 0 H MET A 60 16.508 7.195 -7.455 1.00 0.00 H new ATOM 0 HA MET A 60 15.501 5.613 -8.673 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.832 4.393 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.332 3.513 -6.663 1.00 0.00 H new ATOM 0 HG2 MET A 60 16.022 3.579 -9.248 1.00 0.00 H new ATOM 0 HG3 MET A 60 17.630 3.844 -8.603 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.969 0.185 -8.316 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.659 1.352 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.522 1.863 -8.708 1.00 0.00 H new ATOM 975 N ASP A 61 13.076 5.916 -8.247 1.00 0.00 N ATOM 976 CA ASP A 61 11.628 5.888 -8.122 1.00 0.00 C ATOM 977 C ASP A 61 11.173 4.455 -7.841 1.00 0.00 C ATOM 978 O ASP A 61 11.980 3.528 -7.863 1.00 0.00 O ATOM 979 CB ASP A 61 10.955 6.353 -9.415 1.00 0.00 C ATOM 980 CG ASP A 61 11.806 6.202 -10.677 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.818 5.077 -11.222 1.00 0.00 O ATOM 982 OD2 ASP A 61 12.424 7.215 -11.070 1.00 0.00 O ATOM 0 H ASP A 61 13.424 6.404 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 61 11.346 6.556 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.031 5.790 -9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.677 7.401 -9.306 1.00 0.00 H new ATOM 987 N GLY A 62 9.880 4.319 -7.582 1.00 0.00 N ATOM 988 CA GLY A 62 9.308 3.014 -7.296 1.00 0.00 C ATOM 989 C GLY A 62 8.940 2.282 -8.589 1.00 0.00 C ATOM 990 O GLY A 62 8.520 1.127 -8.554 1.00 0.00 O ATOM 0 H GLY A 62 9.213 5.091 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.020 2.418 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.420 3.130 -6.674 1.00 0.00 H new ATOM 994 N ILE A 63 9.111 2.985 -9.698 1.00 0.00 N ATOM 995 CA ILE A 63 8.803 2.417 -11.000 1.00 0.00 C ATOM 996 C ILE A 63 9.468 1.044 -11.122 1.00 0.00 C ATOM 997 O ILE A 63 8.847 0.089 -11.585 1.00 0.00 O ATOM 998 CB ILE A 63 9.190 3.390 -12.115 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.331 4.654 -12.062 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.125 2.709 -13.484 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.156 5.893 -12.416 1.00 0.00 C ATOM 0 H ILE A 63 9.459 3.943 -9.723 1.00 0.00 H new ATOM 0 HA ILE A 63 7.729 2.262 -11.104 1.00 0.00 H new ATOM 0 HB ILE A 63 10.224 3.697 -11.957 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.495 4.559 -12.755 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.907 4.768 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.405 3.423 -14.259 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.813 1.864 -13.503 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.110 2.355 -13.666 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.521 6.778 -12.371 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.977 5.999 -11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.559 5.786 -13.423 1.00 0.00 H new ATOM 1013 N GLU A 64 10.722 0.990 -10.699 1.00 0.00 N ATOM 1014 CA GLU A 64 11.478 -0.249 -10.756 1.00 0.00 C ATOM 1015 C GLU A 64 11.230 -1.081 -9.496 1.00 0.00 C ATOM 1016 O GLU A 64 10.988 -2.284 -9.580 1.00 0.00 O ATOM 1017 CB GLU A 64 12.971 0.027 -10.945 1.00 0.00 C ATOM 1018 CG GLU A 64 13.243 0.664 -12.310 1.00 0.00 C ATOM 1019 CD GLU A 64 13.049 -0.352 -13.437 1.00 0.00 C ATOM 1020 OE1 GLU A 64 11.901 -0.450 -13.922 1.00 0.00 O ATOM 1021 OE2 GLU A 64 14.053 -1.007 -13.789 1.00 0.00 O ATOM 0 H GLU A 64 11.234 1.785 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 64 11.136 -0.820 -11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.325 0.688 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.531 -0.904 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.574 1.511 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.261 1.053 -12.337 1.00 0.00 H new ATOM 1028 N ILE A 65 11.299 -0.406 -8.358 1.00 0.00 N ATOM 1029 CA ILE A 65 11.084 -1.068 -7.082 1.00 0.00 C ATOM 1030 C ILE A 65 9.805 -1.904 -7.154 1.00 0.00 C ATOM 1031 O ILE A 65 9.848 -3.125 -7.012 1.00 0.00 O ATOM 1032 CB ILE A 65 11.088 -0.047 -5.942 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.309 0.871 -6.032 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.994 -0.743 -4.583 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.575 1.563 -4.694 1.00 0.00 C ATOM 0 H ILE A 65 11.501 0.592 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 65 11.902 -1.755 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 65 10.204 0.582 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.184 0.291 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.149 1.620 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.999 0.005 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.070 -1.319 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.846 -1.411 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.448 2.209 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.708 2.162 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.759 0.812 -3.926 1.00 0.00 H new ATOM 1047 N LEU A 66 8.696 -1.213 -7.376 1.00 0.00 N ATOM 1048 CA LEU A 66 7.407 -1.876 -7.469 1.00 0.00 C ATOM 1049 C LEU A 66 7.472 -2.958 -8.549 1.00 0.00 C ATOM 1050 O LEU A 66 6.780 -3.971 -8.460 1.00 0.00 O ATOM 1051 CB LEU A 66 6.292 -0.852 -7.691 1.00 0.00 C ATOM 1052 CG LEU A 66 5.910 -0.003 -6.476 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.852 -0.856 -5.208 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.855 1.190 -6.322 1.00 0.00 C ATOM 0 H LEU A 66 8.664 -0.200 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 66 7.167 -2.375 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.595 -0.183 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.403 -1.381 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 66 4.910 0.398 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.579 -0.229 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.108 -1.643 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.828 -1.306 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.561 1.777 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.876 0.831 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.802 1.814 -7.214 1.00 0.00 H new ATOM 1066 N LYS A 67 8.309 -2.706 -9.545 1.00 0.00 N ATOM 1067 CA LYS A 67 8.473 -3.646 -10.641 1.00 0.00 C ATOM 1068 C LYS A 67 9.157 -4.912 -10.123 1.00 0.00 C ATOM 1069 O LYS A 67 8.575 -5.995 -10.156 1.00 0.00 O ATOM 1070 CB LYS A 67 9.207 -2.984 -11.808 1.00 0.00 C ATOM 1071 CG LYS A 67 8.307 -2.894 -13.042 1.00 0.00 C ATOM 1072 CD LYS A 67 9.094 -3.192 -14.319 1.00 0.00 C ATOM 1073 CE LYS A 67 8.189 -3.799 -15.393 1.00 0.00 C ATOM 1074 NZ LYS A 67 8.999 -4.371 -16.491 1.00 0.00 N ATOM 0 H LYS A 67 8.881 -1.864 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 67 7.502 -3.946 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.533 -1.985 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.104 -3.555 -12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.482 -3.600 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.869 -1.898 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.545 -2.274 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.910 -3.879 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.563 -4.575 -14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.520 -3.035 -15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.369 -4.779 -17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.578 -3.622 -16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.620 -5.115 -16.113 1.00 0.00 H new ATOM 1088 N ARG A 68 10.384 -4.735 -9.655 1.00 0.00 N ATOM 1089 CA ARG A 68 11.154 -5.850 -9.131 1.00 0.00 C ATOM 1090 C ARG A 68 10.369 -6.566 -8.030 1.00 0.00 C ATOM 1091 O ARG A 68 10.450 -7.786 -7.897 1.00 0.00 O ATOM 1092 CB ARG A 68 12.495 -5.376 -8.566 1.00 0.00 C ATOM 1093 CG ARG A 68 13.600 -5.479 -9.619 1.00 0.00 C ATOM 1094 CD ARG A 68 14.882 -4.797 -9.136 1.00 0.00 C ATOM 1095 NE ARG A 68 15.631 -5.703 -8.238 1.00 0.00 N ATOM 1096 CZ ARG A 68 15.406 -5.812 -6.922 1.00 0.00 C ATOM 1097 NH1 ARG A 68 14.451 -5.071 -6.342 1.00 0.00 N ATOM 1098 NH2 ARG A 68 16.135 -6.661 -6.185 1.00 0.00 N ATOM 0 H ARG A 68 10.864 -3.835 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 68 11.343 -6.539 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.406 -4.344 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.760 -5.976 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.802 -6.527 -9.838 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.266 -5.018 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.502 -4.524 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.637 -3.873 -8.612 1.00 0.00 H new ATOM 0 HE ARG A 68 16.365 -6.281 -8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.896 -4.425 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.279 -5.154 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.862 -7.225 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.963 -6.744 -5.183 1.00 0.00 H new ATOM 1112 N MET A 69 9.626 -5.776 -7.268 1.00 0.00 N ATOM 1113 CA MET A 69 8.827 -6.319 -6.183 1.00 0.00 C ATOM 1114 C MET A 69 7.861 -7.389 -6.695 1.00 0.00 C ATOM 1115 O MET A 69 7.825 -8.501 -6.170 1.00 0.00 O ATOM 1116 CB MET A 69 8.035 -5.191 -5.518 1.00 0.00 C ATOM 1117 CG MET A 69 8.390 -5.072 -4.035 1.00 0.00 C ATOM 1118 SD MET A 69 8.381 -3.357 -3.541 1.00 0.00 S ATOM 1119 CE MET A 69 6.704 -3.214 -2.947 1.00 0.00 C ATOM 0 H MET A 69 9.561 -4.764 -7.381 1.00 0.00 H new ATOM 0 HA MET A 69 9.498 -6.780 -5.458 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.245 -4.248 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.967 -5.379 -5.626 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.675 -5.636 -3.435 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.373 -5.507 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.527 -2.197 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.011 -3.445 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.548 -3.912 -2.125 1.00 0.00 H new ATOM 1129 N LYS A 70 7.101 -7.015 -7.714 1.00 0.00 N ATOM 1130 CA LYS A 70 6.137 -7.929 -8.304 1.00 0.00 C ATOM 1131 C LYS A 70 6.880 -8.994 -9.113 1.00 0.00 C ATOM 1132 O LYS A 70 6.556 -10.178 -9.032 1.00 0.00 O ATOM 1133 CB LYS A 70 5.094 -7.157 -9.114 1.00 0.00 C ATOM 1134 CG LYS A 70 5.520 -7.031 -10.578 1.00 0.00 C ATOM 1135 CD LYS A 70 5.414 -8.376 -11.299 1.00 0.00 C ATOM 1136 CE LYS A 70 4.486 -8.277 -12.511 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.062 -9.001 -13.666 1.00 0.00 N ATOM 0 H LYS A 70 7.133 -6.092 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 70 5.580 -8.451 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.132 -7.666 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.957 -6.165 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.893 -6.295 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.546 -6.666 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.404 -8.699 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.039 -9.133 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.510 -8.693 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.329 -7.230 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.419 -8.924 -14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.983 -8.586 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.189 -10.003 -13.419 1.00 0.00 H new ATOM 1151 N VAL A 71 7.861 -8.535 -9.876 1.00 0.00 N ATOM 1152 CA VAL A 71 8.652 -9.434 -10.699 1.00 0.00 C ATOM 1153 C VAL A 71 9.320 -10.482 -9.807 1.00 0.00 C ATOM 1154 O VAL A 71 9.518 -11.622 -10.223 1.00 0.00 O ATOM 1155 CB VAL A 71 9.654 -8.634 -11.534 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.382 -9.537 -12.531 1.00 0.00 C ATOM 1157 CG2 VAL A 71 8.965 -7.470 -12.250 1.00 0.00 C ATOM 0 H VAL A 71 8.126 -7.552 -9.942 1.00 0.00 H new ATOM 0 HA VAL A 71 8.013 -9.967 -11.404 1.00 0.00 H new ATOM 0 HB VAL A 71 10.398 -8.217 -10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.088 -8.943 -13.111 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.921 -10.315 -11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.657 -9.997 -13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.699 -6.918 -12.836 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.190 -7.857 -12.911 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.515 -6.805 -11.513 1.00 0.00 H new ATOM 1167 N ILE A 72 9.649 -10.057 -8.595 1.00 0.00 N ATOM 1168 CA ILE A 72 10.290 -10.945 -7.640 1.00 0.00 C ATOM 1169 C ILE A 72 9.262 -11.947 -7.111 1.00 0.00 C ATOM 1170 O ILE A 72 9.514 -13.150 -7.095 1.00 0.00 O ATOM 1171 CB ILE A 72 10.984 -10.137 -6.541 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.261 -9.480 -7.067 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.251 -11.005 -5.309 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.460 -10.420 -6.926 1.00 0.00 C ATOM 0 H ILE A 72 9.484 -9.110 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 72 11.077 -11.523 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 72 10.314 -9.335 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.129 -9.208 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.452 -8.557 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.745 -10.407 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.306 -11.385 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.892 -11.842 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.355 -9.928 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.604 -10.671 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.277 -11.331 -7.495 1.00 0.00 H new ATOM 1186 N ASP A 73 8.124 -11.413 -6.691 1.00 0.00 N ATOM 1187 CA ASP A 73 7.057 -12.245 -6.163 1.00 0.00 C ATOM 1188 C ASP A 73 5.717 -11.766 -6.725 1.00 0.00 C ATOM 1189 O ASP A 73 5.447 -10.567 -6.760 1.00 0.00 O ATOM 1190 CB ASP A 73 6.990 -12.152 -4.637 1.00 0.00 C ATOM 1191 CG ASP A 73 8.037 -11.238 -3.998 1.00 0.00 C ATOM 1192 OD1 ASP A 73 8.044 -10.042 -4.362 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.807 -11.755 -3.160 1.00 0.00 O ATOM 0 H ASP A 73 7.918 -10.414 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 73 7.258 -13.276 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.999 -11.798 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.102 -13.154 -4.222 1.00 0.00 H new ATOM 1198 N GLU A 74 4.913 -12.729 -7.152 1.00 0.00 N ATOM 1199 CA GLU A 74 3.607 -12.421 -7.711 1.00 0.00 C ATOM 1200 C GLU A 74 2.539 -12.458 -6.616 1.00 0.00 C ATOM 1201 O GLU A 74 1.465 -11.878 -6.772 1.00 0.00 O ATOM 1202 CB GLU A 74 3.259 -13.380 -8.850 1.00 0.00 C ATOM 1203 CG GLU A 74 4.463 -13.603 -9.767 1.00 0.00 C ATOM 1204 CD GLU A 74 4.044 -13.573 -11.239 1.00 0.00 C ATOM 1205 OE1 GLU A 74 3.999 -12.453 -11.793 1.00 0.00 O ATOM 1206 OE2 GLU A 74 3.779 -14.670 -11.776 1.00 0.00 O ATOM 0 H GLU A 74 5.141 -13.723 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 74 3.639 -11.413 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.929 -14.334 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.427 -12.977 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.213 -12.833 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.927 -14.562 -9.537 1.00 0.00 H new ATOM 1213 N ASN A 75 2.871 -13.146 -5.533 1.00 0.00 N ATOM 1214 CA ASN A 75 1.953 -13.266 -4.413 1.00 0.00 C ATOM 1215 C ASN A 75 1.978 -11.972 -3.598 1.00 0.00 C ATOM 1216 O ASN A 75 1.088 -11.730 -2.783 1.00 0.00 O ATOM 1217 CB ASN A 75 2.360 -14.415 -3.489 1.00 0.00 C ATOM 1218 CG ASN A 75 3.875 -14.441 -3.280 1.00 0.00 C ATOM 1219 OD1 ASN A 75 4.526 -13.418 -3.139 1.00 0.00 O ATOM 1220 ND2 ASN A 75 4.399 -15.663 -3.267 1.00 0.00 N ATOM 0 H ASN A 75 3.762 -13.626 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 75 0.957 -13.459 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.859 -14.308 -2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.032 -15.363 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.403 -15.786 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.797 -16.477 -3.391 1.00 0.00 H new ATOM 1227 N ILE A 76 3.006 -11.174 -3.845 1.00 0.00 N ATOM 1228 CA ILE A 76 3.159 -9.910 -3.144 1.00 0.00 C ATOM 1229 C ILE A 76 1.951 -9.019 -3.440 1.00 0.00 C ATOM 1230 O ILE A 76 1.545 -8.880 -4.593 1.00 0.00 O ATOM 1231 CB ILE A 76 4.501 -9.263 -3.491 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.831 -8.130 -2.518 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.522 -8.794 -4.947 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.880 -7.187 -3.110 1.00 0.00 C ATOM 0 H ILE A 76 3.742 -11.378 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 76 3.180 -10.072 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 76 5.282 -10.016 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.925 -7.571 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.199 -8.547 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.487 -8.338 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.364 -9.647 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.730 -8.062 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.096 -6.391 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.793 -7.744 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.499 -6.753 -4.035 1.00 0.00 H new ATOM 1246 N ARG A 77 1.411 -8.437 -2.379 1.00 0.00 N ATOM 1247 CA ARG A 77 0.258 -7.563 -2.511 1.00 0.00 C ATOM 1248 C ARG A 77 0.615 -6.143 -2.068 1.00 0.00 C ATOM 1249 O ARG A 77 0.883 -5.905 -0.891 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.918 -8.071 -1.674 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.916 -6.946 -1.392 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.345 -7.488 -1.319 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.578 -8.127 -0.004 1.00 0.00 N ATOM 1254 CZ ARG A 77 -4.503 -9.070 0.220 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -5.288 -9.489 -0.782 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -4.643 -9.593 1.446 1.00 0.00 N ATOM 0 H ARG A 77 1.751 -8.554 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.035 -7.557 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.419 -8.883 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.550 -8.480 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.661 -6.455 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.849 -6.191 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.058 -6.678 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.510 -8.211 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.998 -7.831 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.181 -9.090 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.992 -10.207 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.045 -9.273 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.347 -10.311 1.617 1.00 0.00 H new ATOM 1270 N VAL A 78 0.608 -5.236 -3.034 1.00 0.00 N ATOM 1271 CA VAL A 78 0.928 -3.846 -2.757 1.00 0.00 C ATOM 1272 C VAL A 78 0.018 -2.942 -3.591 1.00 0.00 C ATOM 1273 O VAL A 78 -0.398 -3.315 -4.687 1.00 0.00 O ATOM 1274 CB VAL A 78 2.415 -3.591 -3.008 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.650 -3.067 -4.427 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.991 -2.630 -1.966 1.00 0.00 C ATOM 0 H VAL A 78 0.386 -5.437 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 78 0.745 -3.614 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 78 2.938 -4.542 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.715 -2.894 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.295 -3.802 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.107 -2.132 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.050 -2.466 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.461 -1.679 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.874 -3.059 -0.971 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.266 -1.771 -3.040 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.119 -0.811 -3.719 1.00 0.00 C ATOM 1288 C ILE A 79 -0.299 0.429 -4.079 1.00 0.00 C ATOM 1289 O ILE A 79 0.560 0.855 -3.308 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.359 -0.505 -2.876 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.528 -1.408 -3.272 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.726 0.978 -2.959 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.861 -0.809 -2.820 1.00 0.00 C ATOM 0 H ILE A 79 0.080 -1.465 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.493 -1.229 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.125 -0.721 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.535 -1.546 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.398 -2.394 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.610 1.169 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.895 1.580 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.934 1.244 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.676 -1.471 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.860 -0.695 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.999 0.166 -3.287 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.592 0.974 -5.251 1.00 0.00 N ATOM 1306 CA ILE A 80 0.108 2.156 -5.723 1.00 0.00 C ATOM 1307 C ILE A 80 -0.812 3.372 -5.599 1.00 0.00 C ATOM 1308 O ILE A 80 -2.034 3.236 -5.632 1.00 0.00 O ATOM 1309 CB ILE A 80 0.644 1.933 -7.138 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.470 2.084 -8.176 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.353 0.582 -7.250 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.865 3.552 -8.348 1.00 0.00 C ATOM 0 H ILE A 80 -1.305 0.618 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 80 0.983 2.353 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 80 1.386 2.703 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.138 1.679 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.340 1.504 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.724 0.449 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.189 0.551 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.652 -0.218 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.658 3.631 -9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.219 3.947 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.001 4.125 -8.679 1.00 0.00 H new ATOM 1324 N MET A 81 -0.190 4.534 -5.458 1.00 0.00 N ATOM 1325 CA MET A 81 -0.939 5.772 -5.328 1.00 0.00 C ATOM 1326 C MET A 81 -0.251 6.910 -6.086 1.00 0.00 C ATOM 1327 O MET A 81 0.938 7.159 -5.894 1.00 0.00 O ATOM 1328 CB MET A 81 -1.059 6.144 -3.849 1.00 0.00 C ATOM 1329 CG MET A 81 -0.182 5.237 -2.983 1.00 0.00 C ATOM 1330 SD MET A 81 -0.189 5.814 -1.294 1.00 0.00 S ATOM 1331 CE MET A 81 1.516 5.513 -0.856 1.00 0.00 C ATOM 0 H MET A 81 0.824 4.644 -5.431 1.00 0.00 H new ATOM 0 HA MET A 81 -1.930 5.622 -5.755 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.765 7.184 -3.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.099 6.061 -3.532 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.549 4.212 -3.027 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.838 5.227 -3.368 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.677 5.786 0.187 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.746 4.457 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.167 6.112 -1.493 1.00 0.00 H new ATOM 1341 N THR A 82 -1.029 7.569 -6.932 1.00 0.00 N ATOM 1342 CA THR A 82 -0.510 8.674 -7.720 1.00 0.00 C ATOM 1343 C THR A 82 -1.635 9.331 -8.522 1.00 0.00 C ATOM 1344 O THR A 82 -2.540 8.650 -9.002 1.00 0.00 O ATOM 1345 CB THR A 82 0.627 8.140 -8.593 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.675 9.044 -9.693 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.289 6.792 -9.233 1.00 0.00 C ATOM 0 H THR A 82 -2.015 7.359 -7.089 1.00 0.00 H new ATOM 0 HA THR A 82 -0.106 9.460 -7.081 1.00 0.00 H new ATOM 0 HB THR A 82 1.530 8.040 -7.991 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.458 8.844 -10.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.129 6.458 -9.842 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.092 6.058 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.595 6.899 -9.862 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.541 10.647 -8.643 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.539 11.404 -9.379 1.00 0.00 C ATOM 1357 C ALA A 83 -2.633 10.863 -10.807 1.00 0.00 C ATOM 1358 O ALA A 83 -1.694 10.241 -11.302 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.183 12.892 -9.342 1.00 0.00 C ATOM 0 H ALA A 83 -0.789 11.208 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.521 11.292 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.932 13.459 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.158 13.235 -8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.204 13.043 -9.798 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.775 11.118 -11.429 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.004 10.664 -12.790 1.00 0.00 C ATOM 1367 C TYR A 84 -3.288 11.567 -13.797 1.00 0.00 C ATOM 1368 O TYR A 84 -3.890 12.014 -14.772 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.514 10.761 -13.019 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.111 12.124 -12.662 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.177 13.119 -13.616 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.583 12.358 -11.387 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.738 14.402 -13.281 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -7.145 13.640 -11.052 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.195 14.599 -12.015 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.726 15.811 -11.698 1.00 0.00 O ATOM 0 H TYR A 84 -4.552 11.633 -11.015 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.625 9.651 -12.925 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.727 10.545 -14.066 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.011 9.992 -12.428 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.808 12.935 -14.614 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.531 11.579 -10.640 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.795 15.190 -14.018 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.519 13.836 -10.058 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.012 15.808 -10.761 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.014 11.808 -13.526 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.210 12.649 -14.396 1.00 0.00 C ATOM 1388 C GLY A 85 -0.152 11.824 -15.131 1.00 0.00 C ATOM 1389 O GLY A 85 0.304 12.210 -16.206 1.00 0.00 O ATOM 0 H GLY A 85 -1.518 11.435 -12.716 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.853 13.150 -15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.725 13.428 -13.808 1.00 0.00 H new ATOM 1393 N GLU A 86 0.208 10.704 -14.522 1.00 0.00 N ATOM 1394 CA GLU A 86 1.205 9.822 -15.105 1.00 0.00 C ATOM 1395 C GLU A 86 0.630 8.415 -15.279 1.00 0.00 C ATOM 1396 O GLU A 86 1.249 7.433 -14.871 1.00 0.00 O ATOM 1397 CB GLU A 86 2.477 9.794 -14.255 1.00 0.00 C ATOM 1398 CG GLU A 86 2.140 9.814 -12.763 1.00 0.00 C ATOM 1399 CD GLU A 86 3.359 9.434 -11.921 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.394 10.117 -12.078 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.229 8.468 -11.138 1.00 0.00 O ATOM 0 H GLU A 86 -0.173 10.387 -13.631 1.00 0.00 H new ATOM 0 HA GLU A 86 1.474 10.208 -16.088 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.055 8.900 -14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.102 10.652 -14.502 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.792 10.807 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.324 9.120 -12.561 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.546 8.361 -15.886 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.211 7.090 -16.119 1.00 0.00 C ATOM 1410 C LEU A 87 -0.197 6.081 -16.661 1.00 0.00 C ATOM 1411 O LEU A 87 -0.239 4.903 -16.310 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.431 7.281 -17.022 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.503 8.245 -16.507 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.226 8.931 -17.667 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.475 7.530 -15.567 1.00 0.00 C ATOM 0 H LEU A 87 -1.056 9.177 -16.224 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.596 6.685 -15.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.087 7.637 -17.993 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.894 6.308 -17.185 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.011 9.027 -15.928 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.982 9.610 -17.274 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.507 9.494 -18.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.705 8.178 -18.293 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.227 8.236 -15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.964 6.715 -16.101 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.927 7.128 -14.715 1.00 0.00 H new ATOM 1427 N ASP A 88 0.692 6.580 -17.509 1.00 0.00 N ATOM 1428 CA ASP A 88 1.715 5.737 -18.103 1.00 0.00 C ATOM 1429 C ASP A 88 2.355 4.875 -17.013 1.00 0.00 C ATOM 1430 O ASP A 88 2.659 3.704 -17.241 1.00 0.00 O ATOM 1431 CB ASP A 88 2.817 6.579 -18.748 1.00 0.00 C ATOM 1432 CG ASP A 88 3.211 6.155 -20.164 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.708 5.096 -20.599 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.006 6.898 -20.779 1.00 0.00 O ATOM 0 H ASP A 88 0.724 7.558 -17.798 1.00 0.00 H new ATOM 0 HA ASP A 88 1.241 5.119 -18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.491 7.619 -18.774 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.702 6.539 -18.113 1.00 0.00 H new ATOM 1439 N MET A 89 2.542 5.486 -15.853 1.00 0.00 N ATOM 1440 CA MET A 89 3.141 4.789 -14.727 1.00 0.00 C ATOM 1441 C MET A 89 2.120 3.879 -14.040 1.00 0.00 C ATOM 1442 O MET A 89 2.417 2.724 -13.740 1.00 0.00 O ATOM 1443 CB MET A 89 3.675 5.810 -13.720 1.00 0.00 C ATOM 1444 CG MET A 89 4.790 5.205 -12.866 1.00 0.00 C ATOM 1445 SD MET A 89 4.114 4.564 -11.343 1.00 0.00 S ATOM 1446 CE MET A 89 5.573 3.802 -10.653 1.00 0.00 C ATOM 0 H MET A 89 2.289 6.457 -15.668 1.00 0.00 H new ATOM 0 HA MET A 89 3.958 4.171 -15.099 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.051 6.685 -14.249 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.864 6.151 -13.077 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.288 4.407 -13.416 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.544 5.962 -12.649 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.279 3.017 -9.956 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.172 3.370 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.161 4.553 -10.126 1.00 0.00 H new ATOM 1456 N ILE A 90 0.940 4.435 -13.811 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.126 3.688 -13.164 1.00 0.00 C ATOM 1458 C ILE A 90 -0.394 2.404 -13.953 1.00 0.00 C ATOM 1459 O ILE A 90 -0.486 1.323 -13.373 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.364 4.568 -12.984 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.072 5.739 -12.043 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.562 3.740 -12.514 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.235 7.077 -12.766 1.00 0.00 C ATOM 0 H ILE A 90 0.698 5.394 -14.062 1.00 0.00 H new ATOM 0 HA ILE A 90 0.173 3.390 -12.159 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.626 4.991 -13.954 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.746 5.699 -11.187 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.058 5.653 -11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.429 4.390 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.785 2.971 -13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.327 3.269 -11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.022 7.892 -12.075 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.542 7.123 -13.606 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.257 7.170 -13.133 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.511 2.566 -15.263 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.766 1.434 -16.137 1.00 0.00 C ATOM 1477 C GLN A 91 0.228 0.307 -15.849 1.00 0.00 C ATOM 1478 O GLN A 91 -0.171 -0.833 -15.614 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.711 1.852 -17.607 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.098 2.251 -18.116 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.585 1.282 -19.195 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.000 0.167 -18.923 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -2.512 1.767 -20.431 1.00 0.00 N ATOM 0 H GLN A 91 -0.434 3.464 -15.740 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.772 1.065 -15.937 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.022 2.688 -17.725 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.322 1.030 -18.208 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.805 2.262 -17.286 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.064 3.263 -18.519 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.154 2.709 -20.589 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.814 1.197 -21.221 1.00 0.00 H new ATOM 1492 N GLU A 92 1.503 0.664 -15.879 1.00 0.00 N ATOM 1493 CA GLU A 92 2.558 -0.303 -15.625 1.00 0.00 C ATOM 1494 C GLU A 92 2.366 -0.948 -14.251 1.00 0.00 C ATOM 1495 O GLU A 92 2.450 -2.168 -14.117 1.00 0.00 O ATOM 1496 CB GLU A 92 3.938 0.349 -15.736 1.00 0.00 C ATOM 1497 CG GLU A 92 4.806 -0.379 -16.764 1.00 0.00 C ATOM 1498 CD GLU A 92 5.811 0.578 -17.409 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.344 1.567 -18.015 1.00 0.00 O ATOM 1500 OE2 GLU A 92 7.022 0.299 -17.283 1.00 0.00 O ATOM 0 H GLU A 92 1.830 1.610 -16.075 1.00 0.00 H new ATOM 0 HA GLU A 92 2.499 -1.084 -16.383 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.828 1.395 -16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.430 0.335 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.338 -1.199 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.172 -0.819 -17.534 1.00 0.00 H new ATOM 1507 N SER A 93 2.112 -0.101 -13.264 1.00 0.00 N ATOM 1508 CA SER A 93 1.908 -0.574 -11.906 1.00 0.00 C ATOM 1509 C SER A 93 0.734 -1.555 -11.864 1.00 0.00 C ATOM 1510 O SER A 93 0.793 -2.570 -11.171 1.00 0.00 O ATOM 1511 CB SER A 93 1.658 0.593 -10.948 1.00 0.00 C ATOM 1512 OG SER A 93 1.663 1.848 -11.623 1.00 0.00 O ATOM 0 H SER A 93 2.043 0.910 -13.378 1.00 0.00 H new ATOM 0 HA SER A 93 2.814 -1.087 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.699 0.453 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.424 0.596 -10.172 1.00 0.00 H new ATOM 0 HG SER A 93 2.504 1.951 -12.116 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.304 -1.219 -12.615 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.489 -2.057 -12.673 1.00 0.00 C ATOM 1520 C LYS A 94 -1.117 -3.418 -13.265 1.00 0.00 C ATOM 1521 O LYS A 94 -1.390 -4.456 -12.664 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.614 -1.345 -13.427 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.918 -1.381 -12.628 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.063 -1.944 -13.473 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.353 -2.037 -12.657 1.00 0.00 C ATOM 1526 NZ LYS A 94 -6.703 -3.452 -12.399 1.00 0.00 N ATOM 0 H LYS A 94 -0.349 -0.377 -13.189 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.875 -2.239 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.330 -0.310 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.764 -1.820 -14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.785 -1.992 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.170 -0.376 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.224 -1.308 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.793 -2.932 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.231 -1.508 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.166 -1.547 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.581 -3.497 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.840 -3.946 -13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.934 -3.908 -11.868 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.501 -3.369 -14.437 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.089 -4.585 -15.117 1.00 0.00 C ATOM 1542 C GLU A 95 1.014 -5.289 -14.324 1.00 0.00 C ATOM 1543 O GLU A 95 1.332 -6.448 -14.589 1.00 0.00 O ATOM 1544 CB GLU A 95 0.369 -4.286 -16.546 1.00 0.00 C ATOM 1545 CG GLU A 95 -0.657 -3.421 -17.280 1.00 0.00 C ATOM 1546 CD GLU A 95 -1.553 -4.276 -18.179 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -2.574 -4.772 -17.655 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -1.196 -4.415 -19.369 1.00 0.00 O ATOM 0 H GLU A 95 -0.277 -2.506 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.948 -5.253 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.332 -3.775 -16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.516 -5.220 -17.088 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.269 -2.884 -16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.142 -2.671 -17.881 1.00 0.00 H new ATOM 1555 N LEU A 96 1.568 -4.560 -13.366 1.00 0.00 N ATOM 1556 CA LEU A 96 2.629 -5.100 -12.533 1.00 0.00 C ATOM 1557 C LEU A 96 2.047 -6.167 -11.602 1.00 0.00 C ATOM 1558 O LEU A 96 2.783 -6.987 -11.056 1.00 0.00 O ATOM 1559 CB LEU A 96 3.359 -3.975 -11.798 1.00 0.00 C ATOM 1560 CG LEU A 96 4.806 -3.722 -12.226 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.891 -3.433 -13.726 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.438 -2.607 -11.390 1.00 0.00 C ATOM 0 H LEU A 96 1.302 -3.600 -13.148 1.00 0.00 H new ATOM 0 HA LEU A 96 3.384 -5.590 -13.148 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.794 -3.053 -11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.351 -4.199 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 96 5.381 -4.629 -12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.930 -3.257 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.506 -4.287 -14.283 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.298 -2.549 -13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.466 -2.447 -11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.869 -1.687 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.430 -2.892 -10.338 1.00 0.00 H new ATOM 1574 N GLY A 97 0.732 -6.121 -11.451 1.00 0.00 N ATOM 1575 CA GLY A 97 0.043 -7.073 -10.596 1.00 0.00 C ATOM 1576 C GLY A 97 -0.444 -6.402 -9.310 1.00 0.00 C ATOM 1577 O GLY A 97 -0.655 -7.071 -8.299 1.00 0.00 O ATOM 0 H GLY A 97 0.125 -5.439 -11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.805 -7.501 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.713 -7.897 -10.350 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.608 -5.090 -9.390 1.00 0.00 N ATOM 1582 CA ALA A 98 -1.065 -4.322 -8.245 1.00 0.00 C ATOM 1583 C ALA A 98 -2.576 -4.506 -8.084 1.00 0.00 C ATOM 1584 O ALA A 98 -3.304 -4.581 -9.072 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.673 -2.854 -8.424 1.00 0.00 C ATOM 0 H ALA A 98 -0.432 -4.539 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.589 -4.677 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.016 -2.278 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.411 -2.774 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.134 -2.462 -9.331 1.00 0.00 H new ATOM 1591 N LEU A 99 -3.001 -4.573 -6.831 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.412 -4.746 -6.528 1.00 0.00 C ATOM 1593 C LEU A 99 -5.220 -3.665 -7.247 1.00 0.00 C ATOM 1594 O LEU A 99 -6.177 -3.969 -7.958 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.635 -4.777 -5.015 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.564 -5.498 -4.193 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -2.944 -6.647 -4.989 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.506 -4.514 -3.688 1.00 0.00 C ATOM 0 H LEU A 99 -2.394 -4.511 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.766 -5.708 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.709 -3.750 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.596 -5.252 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.042 -5.935 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.186 -7.143 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.720 -7.364 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.483 -6.255 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.757 -5.052 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.026 -4.028 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.981 -3.760 -3.059 1.00 0.00 H new ATOM 1610 N THR A 100 -4.807 -2.424 -7.037 1.00 0.00 N ATOM 1611 CA THR A 100 -5.481 -1.295 -7.656 1.00 0.00 C ATOM 1612 C THR A 100 -4.565 -0.070 -7.670 1.00 0.00 C ATOM 1613 O THR A 100 -3.460 -0.110 -7.131 1.00 0.00 O ATOM 1614 CB THR A 100 -6.796 -1.063 -6.910 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.321 0.126 -7.494 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.579 -0.692 -5.441 1.00 0.00 C ATOM 0 H THR A 100 -4.013 -2.175 -6.446 1.00 0.00 H new ATOM 0 HA THR A 100 -5.715 -1.498 -8.701 1.00 0.00 H new ATOM 0 HB THR A 100 -7.411 -1.961 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.461 0.799 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.544 -0.538 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.045 -1.498 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.993 0.225 -5.380 1.00 0.00 H new ATOM 1624 N HIS A 101 -5.059 0.991 -8.292 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.299 2.226 -8.383 1.00 0.00 C ATOM 1626 C HIS A 101 -5.169 3.399 -7.926 1.00 0.00 C ATOM 1627 O HIS A 101 -6.216 3.666 -8.513 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.740 2.417 -9.795 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.798 2.647 -10.848 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.247 3.799 -11.423 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -5.520 1.616 -11.422 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -6.192 3.489 -12.302 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -6.363 2.136 -12.302 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.976 1.021 -8.738 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.437 2.177 -7.717 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.055 3.265 -9.792 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.157 1.537 -10.066 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.414 0.566 -11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.736 4.192 -12.916 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.024 1.616 -12.879 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.703 4.068 -6.881 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.425 5.205 -6.338 1.00 0.00 C ATOM 1643 C PHE A 102 -4.732 6.520 -6.703 1.00 0.00 C ATOM 1644 O PHE A 102 -3.532 6.538 -6.975 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.427 5.049 -4.816 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.048 3.740 -4.326 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.019 3.131 -5.059 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.629 3.184 -3.157 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.595 1.916 -4.604 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.205 1.969 -2.702 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.176 1.360 -3.435 1.00 0.00 C ATOM 0 H PHE A 102 -3.834 3.844 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.436 5.232 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.401 5.111 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.971 5.885 -4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.352 3.572 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.858 3.667 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.366 1.433 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.872 1.528 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.614 0.435 -3.089 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.517 7.587 -6.698 1.00 0.00 N ATOM 1662 CA ALA A 103 -4.993 8.903 -7.025 1.00 0.00 C ATOM 1663 C ALA A 103 -5.025 9.784 -5.775 1.00 0.00 C ATOM 1664 O ALA A 103 -5.903 9.635 -4.927 1.00 0.00 O ATOM 1665 CB ALA A 103 -5.799 9.500 -8.180 1.00 0.00 C ATOM 0 H ALA A 103 -6.512 7.568 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.956 8.833 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.407 10.487 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.721 8.851 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.845 9.588 -7.886 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.055 10.684 -5.700 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.960 11.590 -4.568 1.00 0.00 C ATOM 1673 C LYS A 104 -5.346 11.766 -3.944 1.00 0.00 C ATOM 1674 O LYS A 104 -5.545 11.460 -2.769 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.304 12.907 -4.989 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.912 13.047 -4.370 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.940 13.706 -5.351 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.085 14.763 -4.649 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.385 15.777 -5.620 1.00 0.00 N ATOM 0 H LYS A 104 -3.328 10.805 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.313 11.170 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.229 12.949 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.930 13.744 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.973 13.642 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.536 12.064 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.295 12.947 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.497 14.167 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.665 15.245 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.770 14.287 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.964 16.487 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.956 15.315 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.434 16.243 -6.060 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.293 12.270 -4.779 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.654 12.490 -4.321 1.00 0.00 C ATOM 1695 C PRO A 105 -8.414 11.167 -4.204 1.00 0.00 C ATOM 1696 O PRO A 105 -8.989 10.688 -5.180 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.265 13.436 -5.342 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.382 13.344 -6.576 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.094 12.643 -6.176 1.00 0.00 C ATOM 0 HA PRO A 105 -7.696 12.922 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.291 13.151 -5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.297 14.456 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.888 12.791 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.169 14.338 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.911 11.767 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.233 13.301 -6.291 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.391 10.613 -3.000 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.070 9.355 -2.742 1.00 0.00 C ATOM 1709 C PHE A 106 -9.960 9.456 -1.502 1.00 0.00 C ATOM 1710 O PHE A 106 -9.714 10.281 -0.623 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.986 8.305 -2.493 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.668 8.882 -1.973 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -6.659 9.660 -0.857 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.505 8.618 -2.627 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.435 10.196 -0.375 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.281 9.154 -2.145 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.273 9.932 -1.029 1.00 0.00 C ATOM 0 H PHE A 106 -7.913 11.013 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.703 9.093 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.360 7.575 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.794 7.768 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.582 9.870 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.512 8.001 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.428 10.813 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.357 8.944 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.343 10.340 -0.662 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.976 8.607 -1.471 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.904 8.590 -0.353 1.00 0.00 C ATOM 1729 C ASP A 107 -11.677 7.324 0.475 1.00 0.00 C ATOM 1730 O ASP A 107 -11.406 6.258 -0.076 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.354 8.582 -0.841 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.289 9.547 -0.109 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -14.034 10.767 -0.207 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.236 9.044 0.532 1.00 0.00 O ATOM 0 H ASP A 107 -11.177 7.925 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.729 9.485 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.365 8.825 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.749 7.571 -0.741 1.00 0.00 H new ATOM 1739 N ILE A 108 -11.795 7.482 1.785 1.00 0.00 N ATOM 1740 CA ILE A 108 -11.606 6.365 2.694 1.00 0.00 C ATOM 1741 C ILE A 108 -12.805 5.421 2.592 1.00 0.00 C ATOM 1742 O ILE A 108 -12.647 4.202 2.645 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.339 6.869 4.114 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -9.948 6.448 4.593 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -12.439 6.410 5.074 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.786 4.928 4.540 1.00 0.00 C ATOM 0 H ILE A 108 -12.019 8.368 2.239 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.723 5.791 2.413 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.358 7.959 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.187 6.920 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.789 6.799 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.225 6.781 6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.400 6.800 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.476 5.321 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.789 4.656 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.533 4.460 5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.921 4.583 3.515 1.00 0.00 H new ATOM 1758 N ASP A 109 -13.978 6.019 2.446 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.204 5.247 2.335 1.00 0.00 C ATOM 1760 C ASP A 109 -15.157 4.405 1.059 1.00 0.00 C ATOM 1761 O ASP A 109 -15.553 3.240 1.065 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.426 6.163 2.253 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.131 6.422 3.587 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -16.430 6.864 4.522 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.354 6.172 3.640 1.00 0.00 O ATOM 0 H ASP A 109 -14.106 7.030 2.402 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.286 4.615 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.117 7.119 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -17.144 5.725 1.559 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.671 5.027 -0.005 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.567 4.349 -1.286 1.00 0.00 C ATOM 1772 C GLU A 110 -13.511 3.244 -1.218 1.00 0.00 C ATOM 1773 O GLU A 110 -13.652 2.206 -1.863 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.252 5.341 -2.407 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.657 4.625 -3.622 1.00 0.00 C ATOM 1776 CD GLU A 110 -14.227 5.189 -4.925 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.710 6.240 -5.362 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -15.167 4.557 -5.453 1.00 0.00 O ATOM 0 H GLU A 110 -14.345 5.993 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.530 3.890 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.162 5.866 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.552 6.094 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.573 4.735 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.870 3.558 -3.560 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.477 3.505 -0.432 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.398 2.545 -0.272 1.00 0.00 C ATOM 1787 C ILE A 111 -11.919 1.318 0.479 1.00 0.00 C ATOM 1788 O ILE A 111 -11.379 0.223 0.337 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.189 3.205 0.393 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.336 3.950 -0.636 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.370 2.182 1.182 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.210 4.730 0.046 1.00 0.00 C ATOM 0 H ILE A 111 -12.363 4.367 0.101 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.049 2.199 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.554 3.944 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.913 3.239 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.964 4.635 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.517 2.678 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.994 1.736 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.015 1.402 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.619 5.250 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.637 5.457 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.570 4.040 0.596 1.00 0.00 H new ATOM 1804 N ARG A 112 -12.964 1.544 1.263 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.564 0.470 2.036 1.00 0.00 C ATOM 1806 C ARG A 112 -14.198 -0.565 1.105 1.00 0.00 C ATOM 1807 O ARG A 112 -14.407 -1.712 1.497 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.632 1.009 2.990 1.00 0.00 C ATOM 1809 CG ARG A 112 -14.022 1.977 4.006 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.646 1.785 5.390 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.584 1.618 6.406 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.783 1.728 7.726 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -15.005 2.007 8.199 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.759 1.561 8.575 1.00 0.00 N ATOM 0 H ARG A 112 -13.410 2.454 1.379 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.773 0.001 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.410 1.517 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.109 0.180 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.945 1.818 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.176 3.004 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.268 2.645 5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.297 0.911 5.386 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.641 1.406 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.784 2.136 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.156 2.091 9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.828 1.350 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.911 1.645 9.580 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.485 -0.123 -0.110 1.00 0.00 N ATOM 1829 CA ASP A 113 -15.090 -0.998 -1.101 1.00 0.00 C ATOM 1830 C ASP A 113 -14.025 -1.943 -1.660 1.00 0.00 C ATOM 1831 O ASP A 113 -14.187 -3.161 -1.617 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.667 -0.193 -2.267 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.154 -0.427 -2.542 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.588 -1.586 -2.365 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.823 0.557 -2.922 1.00 0.00 O ATOM 0 H ASP A 113 -14.310 0.829 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.891 -1.554 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.512 0.868 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.104 -0.434 -3.169 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.959 -1.345 -2.172 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.867 -2.118 -2.739 1.00 0.00 C ATOM 1842 C ALA A 114 -11.303 -3.056 -1.670 1.00 0.00 C ATOM 1843 O ALA A 114 -10.888 -4.173 -1.975 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.807 -1.168 -3.300 1.00 0.00 C ATOM 0 H ALA A 114 -12.828 -0.334 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.221 -2.735 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.988 -1.747 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.251 -0.544 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.426 -0.534 -2.499 1.00 0.00 H new ATOM 1850 N VAL A 115 -11.306 -2.567 -0.438 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.799 -3.348 0.678 1.00 0.00 C ATOM 1852 C VAL A 115 -11.596 -4.650 0.787 1.00 0.00 C ATOM 1853 O VAL A 115 -11.031 -5.705 1.072 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.839 -2.514 1.960 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.692 -3.403 3.197 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.766 -1.424 1.939 1.00 0.00 C ATOM 0 H VAL A 115 -11.651 -1.640 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.756 -3.618 0.513 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.812 -2.026 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.724 -2.786 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.508 -4.126 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.740 -3.932 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.816 -0.846 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.782 -1.884 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.934 -0.764 1.088 1.00 0.00 H new