USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 23 MET CE :methyl 147:sc= -0.0943 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc=-0.00225 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 21 ASN : amide:sc=-0.00251 X(o=-0.0025,f=-0.28) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.383 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -3.49! C(o=-5.1!,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -1.44 F(o=-2.3,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= -0.717 USER MOD Single : A 59 ASN : amide:sc= -4.34! C(o=-4.3!,f=-5.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.6!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -3.59! C(o=-7!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.692) USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= 0.198 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.4!) USER MOD Single : A 81 SER OG : rot 50:sc= 0.351 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.570 -2.952 -9.795 1.00 0.00 N ATOM 60 CA GLY A 7 -5.271 -1.871 -9.128 1.00 0.00 C ATOM 61 C GLY A 7 -4.326 -0.899 -8.450 1.00 0.00 C ATOM 62 O GLY A 7 -4.327 -0.771 -7.226 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.880 -1.334 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.953 -2.287 -8.386 1.00 0.00 H new ATOM 66 N VAL A 8 -3.515 -0.211 -9.248 1.00 0.00 N ATOM 67 CA VAL A 8 -2.559 0.755 -8.718 1.00 0.00 C ATOM 68 C VAL A 8 -3.272 1.970 -8.137 1.00 0.00 C ATOM 69 O VAL A 8 -4.182 2.524 -8.754 1.00 0.00 O ATOM 70 CB VAL A 8 -1.573 1.222 -9.805 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.324 1.789 -11.000 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.604 2.249 -9.238 1.00 0.00 C ATOM 0 H VAL A 8 -3.501 -0.305 -10.264 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.004 0.251 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.998 0.360 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.611 2.114 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.974 1.021 -11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.927 2.639 -10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.086 2.568 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.161 3.111 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.042 1.804 -8.417 1.00 0.00 H new ATOM 82 N VAL A 9 -2.851 2.382 -6.945 1.00 0.00 N ATOM 83 CA VAL A 9 -3.448 3.534 -6.279 1.00 0.00 C ATOM 84 C VAL A 9 -2.416 4.632 -6.051 1.00 0.00 C ATOM 85 O VAL A 9 -1.602 4.551 -5.132 1.00 0.00 O ATOM 86 CB VAL A 9 -4.070 3.140 -4.926 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.664 4.359 -4.237 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.125 2.061 -5.119 1.00 0.00 C ATOM 0 H VAL A 9 -2.099 1.935 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.233 3.908 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.284 2.738 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.099 4.062 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.881 5.097 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.439 4.793 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.554 1.795 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.912 2.434 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.666 1.180 -5.568 1.00 0.00 H new ATOM 98 N GLU A 10 -2.457 5.659 -6.895 1.00 0.00 N ATOM 99 CA GLU A 10 -1.524 6.774 -6.785 1.00 0.00 C ATOM 100 C GLU A 10 -2.040 7.820 -5.801 1.00 0.00 C ATOM 101 O GLU A 10 -3.059 8.468 -6.042 1.00 0.00 O ATOM 102 CB GLU A 10 -1.297 7.416 -8.155 1.00 0.00 C ATOM 103 CG GLU A 10 -0.015 8.227 -8.244 1.00 0.00 C ATOM 104 CD GLU A 10 -0.215 9.678 -7.852 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.034 9.940 -6.946 1.00 0.00 O ATOM 106 OE2 GLU A 10 0.447 10.551 -8.450 1.00 0.00 O ATOM 0 H GLU A 10 -3.125 5.741 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.576 6.385 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.275 6.634 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.143 8.063 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.739 7.780 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.371 8.179 -9.262 1.00 0.00 H new ATOM 113 N LEU A 11 -1.329 7.979 -4.690 1.00 0.00 N ATOM 114 CA LEU A 11 -1.714 8.946 -3.667 1.00 0.00 C ATOM 115 C LEU A 11 -0.663 10.043 -3.532 1.00 0.00 C ATOM 116 O LEU A 11 0.518 9.844 -3.814 1.00 0.00 O ATOM 117 CB LEU A 11 -1.911 8.244 -2.322 1.00 0.00 C ATOM 118 CG LEU A 11 -3.000 7.171 -2.278 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.872 6.332 -1.016 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.379 7.808 -2.360 1.00 0.00 C ATOM 0 H LEU A 11 -0.483 7.451 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.655 9.405 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.965 7.786 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.143 8.999 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.873 6.515 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.655 5.574 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.896 5.846 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.973 6.974 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.142 7.030 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.517 8.487 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.468 8.364 -3.293 1.00 0.00 H new ATOM 132 N PRO A 12 -1.101 11.231 -3.087 1.00 0.00 N ATOM 133 CA PRO A 12 -0.214 12.383 -2.901 1.00 0.00 C ATOM 134 C PRO A 12 0.749 12.190 -1.734 1.00 0.00 C ATOM 135 O PRO A 12 0.333 11.892 -0.615 1.00 0.00 O ATOM 136 CB PRO A 12 -1.181 13.533 -2.612 1.00 0.00 C ATOM 137 CG PRO A 12 -2.393 12.875 -2.048 1.00 0.00 C ATOM 138 CD PRO A 12 -2.496 11.540 -2.731 1.00 0.00 C ATOM 0 HA PRO A 12 0.422 12.552 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.751 14.244 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.418 14.089 -3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.305 12.755 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.284 13.476 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.920 10.783 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.135 11.588 -3.613 1.00 0.00 H new ATOM 146 N LYS A 13 2.039 12.363 -2.003 1.00 0.00 N ATOM 147 CA LYS A 13 3.062 12.211 -0.975 1.00 0.00 C ATOM 148 C LYS A 13 3.384 13.552 -0.325 1.00 0.00 C ATOM 149 O LYS A 13 3.972 14.434 -0.952 1.00 0.00 O ATOM 150 CB LYS A 13 4.332 11.606 -1.577 1.00 0.00 C ATOM 151 CG LYS A 13 5.523 11.630 -0.635 1.00 0.00 C ATOM 152 CD LYS A 13 5.552 10.402 0.259 1.00 0.00 C ATOM 153 CE LYS A 13 4.803 10.642 1.561 1.00 0.00 C ATOM 154 NZ LYS A 13 4.647 9.389 2.351 1.00 0.00 N ATOM 0 H LYS A 13 2.401 12.609 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 13 2.675 11.540 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.131 10.575 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.588 12.150 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.445 11.681 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.483 12.529 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.108 9.557 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.586 10.134 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.338 11.382 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.820 11.058 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.132 9.595 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.115 8.691 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.586 9.005 2.582 1.00 0.00 H new ATOM 168 N THR A 14 2.996 13.701 0.938 1.00 0.00 N ATOM 169 CA THR A 14 3.243 14.934 1.674 1.00 0.00 C ATOM 170 C THR A 14 3.068 14.725 3.174 1.00 0.00 C ATOM 171 O THR A 14 2.346 13.825 3.604 1.00 0.00 O ATOM 172 CB THR A 14 2.301 16.062 1.212 1.00 0.00 C ATOM 173 OG1 THR A 14 2.583 17.264 1.938 1.00 0.00 O ATOM 174 CG2 THR A 14 0.846 15.670 1.415 1.00 0.00 C ATOM 0 H THR A 14 2.509 12.982 1.473 1.00 0.00 H new ATOM 0 HA THR A 14 4.274 15.223 1.468 1.00 0.00 H new ATOM 0 HB THR A 14 2.469 16.233 0.149 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.981 17.977 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.200 16.482 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.627 14.772 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.666 15.474 2.472 1.00 0.00 H new ATOM 182 N ASP A 15 3.733 15.560 3.964 1.00 0.00 N ATOM 183 CA ASP A 15 3.650 15.467 5.417 1.00 0.00 C ATOM 184 C ASP A 15 2.257 15.022 5.854 1.00 0.00 C ATOM 185 O ASP A 15 2.111 14.251 6.802 1.00 0.00 O ATOM 186 CB ASP A 15 3.993 16.813 6.056 1.00 0.00 C ATOM 187 CG ASP A 15 4.526 16.665 7.468 1.00 0.00 C ATOM 188 OD1 ASP A 15 5.319 15.732 7.707 1.00 0.00 O ATOM 189 OD2 ASP A 15 4.148 17.483 8.334 1.00 0.00 O ATOM 0 H ASP A 15 4.336 16.309 3.623 1.00 0.00 H new ATOM 0 HA ASP A 15 4.372 14.721 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.735 17.325 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.103 17.442 6.071 1.00 0.00 H new ATOM 194 N GLU A 16 1.238 15.515 5.157 1.00 0.00 N ATOM 195 CA GLU A 16 -0.142 15.169 5.476 1.00 0.00 C ATOM 196 C GLU A 16 -0.267 13.686 5.814 1.00 0.00 C ATOM 197 O GLU A 16 -0.836 13.319 6.841 1.00 0.00 O ATOM 198 CB GLU A 16 -1.061 15.515 4.302 1.00 0.00 C ATOM 199 CG GLU A 16 -2.537 15.510 4.664 1.00 0.00 C ATOM 200 CD GLU A 16 -2.993 16.820 5.274 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.766 17.022 6.486 1.00 0.00 O ATOM 202 OE2 GLU A 16 -3.577 17.645 4.540 1.00 0.00 O ATOM 0 H GLU A 16 1.342 16.154 4.369 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.443 15.749 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.793 16.500 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.891 14.802 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.126 15.306 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.732 14.699 5.366 1.00 0.00 H new ATOM 209 N GLY A 17 0.268 12.838 4.941 1.00 0.00 N ATOM 210 CA GLY A 17 0.205 11.406 5.163 1.00 0.00 C ATOM 211 C GLY A 17 -0.798 10.721 4.256 1.00 0.00 C ATOM 212 O GLY A 17 -1.546 11.382 3.534 1.00 0.00 O ATOM 0 H GLY A 17 0.744 13.118 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.192 10.973 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.060 11.214 6.203 1.00 0.00 H new ATOM 216 N LEU A 18 -0.814 9.393 4.290 1.00 0.00 N ATOM 217 CA LEU A 18 -1.731 8.618 3.463 1.00 0.00 C ATOM 218 C LEU A 18 -2.913 8.115 4.285 1.00 0.00 C ATOM 219 O LEU A 18 -4.045 8.072 3.804 1.00 0.00 O ATOM 220 CB LEU A 18 -1.000 7.435 2.825 1.00 0.00 C ATOM 221 CG LEU A 18 0.095 7.788 1.817 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.509 8.427 0.576 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.124 8.714 2.449 1.00 0.00 C ATOM 0 H LEU A 18 -0.202 8.831 4.882 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.110 9.270 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.555 6.837 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.736 6.805 2.326 1.00 0.00 H new ATOM 0 HG LEU A 18 0.599 6.868 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.284 8.672 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.207 7.730 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.038 9.338 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.895 8.954 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.635 9.632 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.580 8.220 3.307 1.00 0.00 H new ATOM 235 N GLY A 19 -2.643 7.737 5.531 1.00 0.00 N ATOM 236 CA GLY A 19 -3.694 7.244 6.402 1.00 0.00 C ATOM 237 C GLY A 19 -3.900 5.748 6.273 1.00 0.00 C ATOM 238 O GLY A 19 -5.034 5.274 6.197 1.00 0.00 O ATOM 0 H GLY A 19 -1.715 7.763 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.448 7.486 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.626 7.758 6.168 1.00 0.00 H new ATOM 242 N PHE A 20 -2.801 5.002 6.247 1.00 0.00 N ATOM 243 CA PHE A 20 -2.866 3.550 6.124 1.00 0.00 C ATOM 244 C PHE A 20 -1.720 2.888 6.883 1.00 0.00 C ATOM 245 O PHE A 20 -0.674 3.496 7.103 1.00 0.00 O ATOM 246 CB PHE A 20 -2.821 3.140 4.650 1.00 0.00 C ATOM 247 CG PHE A 20 -1.433 3.123 4.075 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.644 1.988 4.168 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.918 4.242 3.441 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.633 1.970 3.641 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.358 4.230 2.910 1.00 0.00 C ATOM 252 CZ PHE A 20 1.135 3.092 3.010 1.00 0.00 C ATOM 0 H PHE A 20 -1.855 5.378 6.309 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.808 3.215 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.262 2.149 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.437 3.828 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.032 1.107 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.521 5.134 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.239 1.079 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.747 5.109 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.132 3.079 2.596 1.00 0.00 H new ATOM 262 N ASN A 21 -1.927 1.637 7.282 1.00 0.00 N ATOM 263 CA ASN A 21 -0.912 0.892 8.018 1.00 0.00 C ATOM 264 C ASN A 21 -0.638 -0.455 7.354 1.00 0.00 C ATOM 265 O ASN A 21 -1.502 -1.011 6.676 1.00 0.00 O ATOM 266 CB ASN A 21 -1.357 0.678 9.466 1.00 0.00 C ATOM 267 CG ASN A 21 -1.679 1.982 10.170 1.00 0.00 C ATOM 268 OD1 ASN A 21 -2.724 2.587 9.931 1.00 0.00 O ATOM 269 ND2 ASN A 21 -0.781 2.420 11.044 1.00 0.00 N ATOM 0 H ASN A 21 -2.788 1.118 7.108 1.00 0.00 H new ATOM 0 HA ASN A 21 0.009 1.475 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.236 0.033 9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.570 0.158 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.944 3.291 11.549 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.072 1.885 11.210 1.00 0.00 H new ATOM 276 N ILE A 22 0.569 -0.972 7.556 1.00 0.00 N ATOM 277 CA ILE A 22 0.956 -2.254 6.979 1.00 0.00 C ATOM 278 C ILE A 22 1.788 -3.070 7.962 1.00 0.00 C ATOM 279 O ILE A 22 2.629 -2.528 8.679 1.00 0.00 O ATOM 280 CB ILE A 22 1.758 -2.066 5.677 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.003 -1.216 5.938 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.887 -1.426 4.607 1.00 0.00 C ATOM 283 CD1 ILE A 22 3.931 -1.124 4.747 1.00 0.00 C ATOM 0 H ILE A 22 1.295 -0.524 8.114 1.00 0.00 H new ATOM 0 HA ILE A 22 0.034 -2.790 6.754 1.00 0.00 H new ATOM 0 HB ILE A 22 2.078 -3.045 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.694 -0.211 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.549 -1.636 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.467 -1.300 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.028 -2.066 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.540 -0.453 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.792 -0.507 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.270 -2.123 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.401 -0.676 3.906 1.00 0.00 H new ATOM 295 N MET A 23 1.549 -4.377 7.988 1.00 0.00 N ATOM 296 CA MET A 23 2.280 -5.269 8.881 1.00 0.00 C ATOM 297 C MET A 23 2.877 -6.442 8.109 1.00 0.00 C ATOM 298 O MET A 23 2.465 -6.733 6.987 1.00 0.00 O ATOM 299 CB MET A 23 1.356 -5.788 9.985 1.00 0.00 C ATOM 300 CG MET A 23 0.164 -6.573 9.462 1.00 0.00 C ATOM 301 SD MET A 23 -1.245 -6.526 10.585 1.00 0.00 S ATOM 302 CE MET A 23 -1.363 -8.251 11.053 1.00 0.00 C ATOM 0 H MET A 23 0.856 -4.842 7.402 1.00 0.00 H new ATOM 0 HA MET A 23 3.094 -4.703 9.334 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.931 -6.423 10.660 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.995 -4.943 10.572 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.134 -6.171 8.494 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.460 -7.609 9.299 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.716 -8.326 12.081 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.063 -8.761 10.391 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.381 -8.718 10.972 1.00 0.00 H new ATOM 312 N GLY A 24 3.852 -7.111 8.718 1.00 0.00 N ATOM 313 CA GLY A 24 4.490 -8.243 8.073 1.00 0.00 C ATOM 314 C GLY A 24 5.823 -7.879 7.450 1.00 0.00 C ATOM 315 O GLY A 24 6.394 -6.833 7.756 1.00 0.00 O ATOM 0 H GLY A 24 4.211 -6.889 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.639 -9.037 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.828 -8.639 7.303 1.00 0.00 H new ATOM 394 N SER A 30 5.510 -13.363 6.349 1.00 0.00 N ATOM 395 CA SER A 30 4.128 -13.272 5.893 1.00 0.00 C ATOM 396 C SER A 30 3.994 -12.254 4.765 1.00 0.00 C ATOM 397 O SER A 30 4.852 -11.394 4.565 1.00 0.00 O ATOM 398 CB SER A 30 3.210 -12.887 7.054 1.00 0.00 C ATOM 399 OG SER A 30 2.726 -14.038 7.726 1.00 0.00 O ATOM 0 HA SER A 30 3.832 -14.250 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.753 -12.254 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.371 -12.301 6.679 1.00 0.00 H new ATOM 0 HG SER A 30 2.143 -13.765 8.465 1.00 0.00 H new ATOM 405 N PRO A 31 2.890 -12.351 4.009 1.00 0.00 N ATOM 406 CA PRO A 31 2.616 -11.447 2.888 1.00 0.00 C ATOM 407 C PRO A 31 2.292 -10.031 3.351 1.00 0.00 C ATOM 408 O PRO A 31 1.520 -9.837 4.290 1.00 0.00 O ATOM 409 CB PRO A 31 1.398 -12.081 2.211 1.00 0.00 C ATOM 410 CG PRO A 31 0.726 -12.857 3.290 1.00 0.00 C ATOM 411 CD PRO A 31 1.825 -13.352 4.190 1.00 0.00 C ATOM 0 HA PRO A 31 3.479 -11.340 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.735 -11.321 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.696 -12.727 1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.023 -12.232 3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.156 -13.689 2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.499 -13.409 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.159 -14.350 3.906 1.00 0.00 H new ATOM 419 N ILE A 32 2.886 -9.046 2.686 1.00 0.00 N ATOM 420 CA ILE A 32 2.658 -7.648 3.030 1.00 0.00 C ATOM 421 C ILE A 32 1.261 -7.200 2.614 1.00 0.00 C ATOM 422 O ILE A 32 0.872 -7.340 1.454 1.00 0.00 O ATOM 423 CB ILE A 32 3.699 -6.728 2.365 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.115 -7.159 2.753 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.453 -5.279 2.758 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.171 -6.728 1.760 1.00 0.00 C ATOM 0 H ILE A 32 3.528 -9.190 1.907 1.00 0.00 H new ATOM 0 HA ILE A 32 2.755 -7.570 4.113 1.00 0.00 H new ATOM 0 HB ILE A 32 3.598 -6.812 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.357 -6.744 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.142 -8.244 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.197 -4.641 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.456 -4.979 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.530 -5.178 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.150 -7.068 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.953 -7.164 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.172 -5.641 1.679 1.00 0.00 H new ATOM 438 N TYR A 33 0.511 -6.659 3.568 1.00 0.00 N ATOM 439 CA TYR A 33 -0.844 -6.191 3.301 1.00 0.00 C ATOM 440 C TYR A 33 -1.233 -5.072 4.263 1.00 0.00 C ATOM 441 O TYR A 33 -0.533 -4.810 5.242 1.00 0.00 O ATOM 442 CB TYR A 33 -1.838 -7.348 3.418 1.00 0.00 C ATOM 443 CG TYR A 33 -1.745 -8.097 4.728 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.301 -7.577 5.890 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.100 -9.326 4.803 1.00 0.00 C ATOM 446 CE1 TYR A 33 -2.217 -8.258 7.089 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.012 -10.014 5.998 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.572 -9.476 7.137 1.00 0.00 C ATOM 449 OH TYR A 33 -1.487 -10.158 8.330 1.00 0.00 O ATOM 0 H TYR A 33 0.818 -6.534 4.533 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.872 -5.798 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.850 -6.960 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.669 -8.046 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.808 -6.624 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.660 -9.750 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.654 -7.839 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.507 -10.968 6.039 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.003 -10.999 8.192 1.00 0.00 H new ATOM 459 N ILE A 34 -2.353 -4.418 3.977 1.00 0.00 N ATOM 460 CA ILE A 34 -2.837 -3.329 4.816 1.00 0.00 C ATOM 461 C ILE A 34 -3.378 -3.855 6.141 1.00 0.00 C ATOM 462 O ILE A 34 -4.341 -4.621 6.170 1.00 0.00 O ATOM 463 CB ILE A 34 -3.940 -2.520 4.109 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.427 -1.974 2.775 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.421 -1.386 5.002 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.341 -0.933 2.926 1.00 0.00 C ATOM 0 H ILE A 34 -2.943 -4.623 3.170 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.985 -2.676 5.007 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.783 -3.181 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.046 -2.801 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.261 -1.540 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.200 -0.824 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.821 -1.797 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.586 -0.723 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.025 -0.591 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.724 -0.088 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.489 -1.369 3.449 1.00 0.00 H new ATOM 478 N SER A 35 -2.753 -3.437 7.237 1.00 0.00 N ATOM 479 CA SER A 35 -3.170 -3.867 8.567 1.00 0.00 C ATOM 480 C SER A 35 -4.394 -3.084 9.032 1.00 0.00 C ATOM 481 O SER A 35 -5.366 -3.662 9.519 1.00 0.00 O ATOM 482 CB SER A 35 -2.026 -3.689 9.566 1.00 0.00 C ATOM 483 OG SER A 35 -1.751 -2.317 9.788 1.00 0.00 O ATOM 0 H SER A 35 -1.956 -2.801 7.230 1.00 0.00 H new ATOM 0 HA SER A 35 -3.435 -4.923 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.286 -4.168 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.131 -4.186 9.191 1.00 0.00 H new ATOM 0 HG SER A 35 -1.017 -2.230 10.431 1.00 0.00 H new ATOM 489 N ARG A 36 -4.338 -1.765 8.878 1.00 0.00 N ATOM 490 CA ARG A 36 -5.440 -0.901 9.283 1.00 0.00 C ATOM 491 C ARG A 36 -5.580 0.284 8.333 1.00 0.00 C ATOM 492 O ARG A 36 -4.643 0.629 7.613 1.00 0.00 O ATOM 493 CB ARG A 36 -5.225 -0.401 10.713 1.00 0.00 C ATOM 494 CG ARG A 36 -6.515 -0.055 11.438 1.00 0.00 C ATOM 495 CD ARG A 36 -6.242 0.502 12.827 1.00 0.00 C ATOM 496 NE ARG A 36 -5.870 -0.547 13.773 1.00 0.00 N ATOM 497 CZ ARG A 36 -4.628 -0.994 13.923 1.00 0.00 C ATOM 498 NH1 ARG A 36 -3.644 -0.487 13.193 1.00 0.00 N ATOM 499 NH2 ARG A 36 -4.368 -1.950 14.805 1.00 0.00 N ATOM 0 H ARG A 36 -3.541 -1.272 8.476 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.360 -1.485 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.693 -1.165 11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.585 0.481 10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.076 0.676 10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.139 -0.945 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.442 1.240 12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.129 1.020 13.191 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.604 -0.959 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.840 0.248 12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.692 -0.832 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.122 -2.343 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.414 -2.293 14.919 1.00 0.00 H new ATOM 513 N VAL A 37 -6.756 0.904 8.337 1.00 0.00 N ATOM 514 CA VAL A 37 -7.018 2.051 7.476 1.00 0.00 C ATOM 515 C VAL A 37 -7.705 3.172 8.248 1.00 0.00 C ATOM 516 O VAL A 37 -8.694 2.944 8.945 1.00 0.00 O ATOM 517 CB VAL A 37 -7.895 1.660 6.271 1.00 0.00 C ATOM 518 CG1 VAL A 37 -8.144 2.866 5.379 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.247 0.530 5.486 1.00 0.00 C ATOM 0 H VAL A 37 -7.542 0.631 8.927 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.052 2.402 7.114 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.858 1.308 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.765 2.571 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.654 3.642 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.192 3.251 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.880 0.266 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.271 0.852 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.126 -0.339 6.132 1.00 0.00 H new ATOM 529 N ILE A 38 -7.174 4.383 8.119 1.00 0.00 N ATOM 530 CA ILE A 38 -7.737 5.540 8.803 1.00 0.00 C ATOM 531 C ILE A 38 -9.080 5.936 8.200 1.00 0.00 C ATOM 532 O ILE A 38 -9.190 6.237 7.011 1.00 0.00 O ATOM 533 CB ILE A 38 -6.784 6.749 8.744 1.00 0.00 C ATOM 534 CG1 ILE A 38 -5.360 6.321 9.104 1.00 0.00 C ATOM 535 CG2 ILE A 38 -7.265 7.849 9.678 1.00 0.00 C ATOM 536 CD1 ILE A 38 -5.214 5.850 10.535 1.00 0.00 C ATOM 0 H ILE A 38 -6.355 4.588 7.547 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.880 5.251 9.844 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.779 7.140 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.049 5.520 8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.684 7.159 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.581 8.696 9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.263 8.169 9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.296 7.471 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.179 5.562 10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.493 6.656 11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.865 4.992 10.704 1.00 0.00 H new ATOM 548 N PRO A 39 -10.128 5.938 9.037 1.00 0.00 N ATOM 549 CA PRO A 39 -11.483 6.298 8.609 1.00 0.00 C ATOM 550 C PRO A 39 -11.614 7.782 8.285 1.00 0.00 C ATOM 551 O PRO A 39 -12.701 8.266 7.975 1.00 0.00 O ATOM 552 CB PRO A 39 -12.345 5.937 9.821 1.00 0.00 C ATOM 553 CG PRO A 39 -11.417 6.015 10.983 1.00 0.00 C ATOM 554 CD PRO A 39 -10.070 5.591 10.467 1.00 0.00 C ATOM 0 HA PRO A 39 -11.772 5.781 7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.179 6.629 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.771 4.939 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.380 7.027 11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.748 5.363 11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.261 6.116 10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.900 4.525 10.615 1.00 0.00 H new ATOM 562 N GLY A 40 -10.497 8.500 8.359 1.00 0.00 N ATOM 563 CA GLY A 40 -10.509 9.923 8.070 1.00 0.00 C ATOM 564 C GLY A 40 -9.178 10.418 7.540 1.00 0.00 C ATOM 565 O GLY A 40 -8.632 11.402 8.037 1.00 0.00 O ATOM 0 H GLY A 40 -9.584 8.122 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.289 10.136 7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.763 10.473 8.976 1.00 0.00 H new ATOM 569 N GLY A 41 -8.654 9.733 6.528 1.00 0.00 N ATOM 570 CA GLY A 41 -7.382 10.123 5.949 1.00 0.00 C ATOM 571 C GLY A 41 -7.443 10.232 4.438 1.00 0.00 C ATOM 572 O GLY A 41 -8.512 10.447 3.866 1.00 0.00 O ATOM 0 H GLY A 41 -9.088 8.915 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.074 11.081 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.621 9.394 6.227 1.00 0.00 H new ATOM 576 N VAL A 42 -6.292 10.086 3.789 1.00 0.00 N ATOM 577 CA VAL A 42 -6.218 10.171 2.335 1.00 0.00 C ATOM 578 C VAL A 42 -6.636 8.856 1.686 1.00 0.00 C ATOM 579 O VAL A 42 -7.309 8.846 0.656 1.00 0.00 O ATOM 580 CB VAL A 42 -4.797 10.534 1.865 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.695 10.439 0.351 1.00 0.00 C ATOM 582 CG2 VAL A 42 -4.416 11.926 2.348 1.00 0.00 C ATOM 0 H VAL A 42 -5.398 9.908 4.247 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.906 10.959 2.029 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.096 9.820 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.684 10.699 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.923 9.421 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.405 11.129 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.409 12.166 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.119 12.656 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.447 11.954 3.437 1.00 0.00 H new ATOM 592 N ALA A 43 -6.231 7.747 2.297 1.00 0.00 N ATOM 593 CA ALA A 43 -6.566 6.425 1.781 1.00 0.00 C ATOM 594 C ALA A 43 -8.076 6.218 1.738 1.00 0.00 C ATOM 595 O ALA A 43 -8.623 5.779 0.726 1.00 0.00 O ATOM 596 CB ALA A 43 -5.907 5.346 2.627 1.00 0.00 C ATOM 0 H ALA A 43 -5.671 7.738 3.149 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.187 6.354 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.166 4.364 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.825 5.474 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.258 5.426 3.656 1.00 0.00 H new ATOM 602 N ASP A 44 -8.743 6.536 2.841 1.00 0.00 N ATOM 603 CA ASP A 44 -10.191 6.385 2.930 1.00 0.00 C ATOM 604 C ASP A 44 -10.892 7.246 1.884 1.00 0.00 C ATOM 605 O ASP A 44 -11.652 6.741 1.057 1.00 0.00 O ATOM 606 CB ASP A 44 -10.680 6.761 4.329 1.00 0.00 C ATOM 607 CG ASP A 44 -12.179 6.598 4.482 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.660 5.447 4.415 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.872 7.620 4.667 1.00 0.00 O ATOM 0 H ASP A 44 -8.304 6.900 3.687 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.435 5.340 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.173 6.140 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.406 7.795 4.541 1.00 0.00 H new ATOM 614 N ARG A 45 -10.632 8.549 1.927 1.00 0.00 N ATOM 615 CA ARG A 45 -11.240 9.481 0.985 1.00 0.00 C ATOM 616 C ARG A 45 -10.979 9.046 -0.455 1.00 0.00 C ATOM 617 O ARG A 45 -11.912 8.816 -1.224 1.00 0.00 O ATOM 618 CB ARG A 45 -10.696 10.893 1.209 1.00 0.00 C ATOM 619 CG ARG A 45 -11.197 11.542 2.489 1.00 0.00 C ATOM 620 CD ARG A 45 -11.212 13.059 2.376 1.00 0.00 C ATOM 621 NE ARG A 45 -12.184 13.524 1.389 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.100 14.697 0.772 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.094 15.519 1.037 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.023 15.050 -0.113 1.00 0.00 N ATOM 0 H ARG A 45 -10.004 8.983 2.604 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.316 9.482 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.607 10.854 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.974 11.519 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.202 11.183 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.561 11.244 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.446 13.493 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.218 13.412 2.101 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.970 12.915 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.382 15.251 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.032 16.419 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.798 14.420 -0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.958 15.951 -0.586 1.00 0.00 H new ATOM 638 N HIS A 46 -9.703 8.937 -0.812 1.00 0.00 N ATOM 639 CA HIS A 46 -9.319 8.530 -2.159 1.00 0.00 C ATOM 640 C HIS A 46 -10.199 7.385 -2.653 1.00 0.00 C ATOM 641 O HIS A 46 -10.828 7.482 -3.705 1.00 0.00 O ATOM 642 CB HIS A 46 -7.849 8.108 -2.187 1.00 0.00 C ATOM 643 CG HIS A 46 -7.364 7.718 -3.550 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.872 8.469 -4.563 1.00 0.00 N flip ATOM 645 CD2 HIS A 46 -7.355 6.415 -4.001 1.00 0.00 C flip ATOM 646 CE1 HIS A 46 -6.576 7.615 -5.596 1.00 0.00 C flip ATOM 647 NE2 HIS A 46 -6.876 6.382 -5.232 1.00 0.00 N flip ATOM 0 H HIS A 46 -8.918 9.125 -0.188 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.457 9.383 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.237 8.929 -1.813 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.707 7.269 -1.506 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.745 9.481 -4.559 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.687 5.556 -3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.164 7.905 -6.552 1.00 0.00 H new ATOM 655 N GLY A 47 -10.237 6.301 -1.884 1.00 0.00 N ATOM 656 CA GLY A 47 -11.042 5.153 -2.261 1.00 0.00 C ATOM 657 C GLY A 47 -10.283 4.175 -3.136 1.00 0.00 C ATOM 658 O GLY A 47 -10.556 4.059 -4.330 1.00 0.00 O ATOM 0 H GLY A 47 -9.725 6.197 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.384 4.641 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.931 5.495 -2.790 1.00 0.00 H new ATOM 662 N GLY A 48 -9.326 3.470 -2.540 1.00 0.00 N ATOM 663 CA GLY A 48 -8.539 2.508 -3.289 1.00 0.00 C ATOM 664 C GLY A 48 -7.809 1.530 -2.389 1.00 0.00 C ATOM 665 O GLY A 48 -7.685 0.349 -2.715 1.00 0.00 O ATOM 0 H GLY A 48 -9.082 3.548 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.192 1.957 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.815 3.038 -3.907 1.00 0.00 H new ATOM 669 N LEU A 49 -7.324 2.022 -1.254 1.00 0.00 N ATOM 670 CA LEU A 49 -6.601 1.183 -0.305 1.00 0.00 C ATOM 671 C LEU A 49 -7.479 0.837 0.894 1.00 0.00 C ATOM 672 O LEU A 49 -8.223 1.679 1.397 1.00 0.00 O ATOM 673 CB LEU A 49 -5.330 1.892 0.167 1.00 0.00 C ATOM 674 CG LEU A 49 -4.121 1.793 -0.764 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.079 2.838 -0.398 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.520 0.396 -0.711 1.00 0.00 C ATOM 0 H LEU A 49 -7.418 2.997 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.327 0.257 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.561 2.946 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.050 1.484 1.138 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.455 1.984 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.226 2.752 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.514 3.833 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.749 2.679 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.661 0.344 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.201 0.176 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.267 -0.334 -1.023 1.00 0.00 H new ATOM 688 N LYS A 50 -7.384 -0.408 1.350 1.00 0.00 N ATOM 689 CA LYS A 50 -8.166 -0.866 2.492 1.00 0.00 C ATOM 690 C LYS A 50 -7.491 -2.052 3.173 1.00 0.00 C ATOM 691 O LYS A 50 -6.545 -2.631 2.638 1.00 0.00 O ATOM 692 CB LYS A 50 -9.578 -1.256 2.046 1.00 0.00 C ATOM 693 CG LYS A 50 -10.526 -0.075 1.926 1.00 0.00 C ATOM 694 CD LYS A 50 -11.974 -0.528 1.854 1.00 0.00 C ATOM 695 CE LYS A 50 -12.925 0.571 2.302 1.00 0.00 C ATOM 696 NZ LYS A 50 -14.344 0.118 2.286 1.00 0.00 N ATOM 0 H LYS A 50 -6.773 -1.118 0.946 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.231 -0.047 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.519 -1.763 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.990 -1.971 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.393 0.588 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.279 0.502 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.213 -0.824 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.112 -1.408 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.658 0.894 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.813 1.437 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.960 0.896 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.607 -0.166 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.457 -0.692 2.928 1.00 0.00 H new ATOM 710 N ARG A 51 -7.983 -2.409 4.355 1.00 0.00 N ATOM 711 CA ARG A 51 -7.427 -3.526 5.108 1.00 0.00 C ATOM 712 C ARG A 51 -7.615 -4.839 4.353 1.00 0.00 C ATOM 713 O ARG A 51 -8.739 -5.237 4.051 1.00 0.00 O ATOM 714 CB ARG A 51 -8.086 -3.619 6.485 1.00 0.00 C ATOM 715 CG ARG A 51 -7.720 -4.879 7.252 1.00 0.00 C ATOM 716 CD ARG A 51 -8.743 -5.190 8.333 1.00 0.00 C ATOM 717 NE ARG A 51 -8.778 -6.614 8.659 1.00 0.00 N ATOM 718 CZ ARG A 51 -9.737 -7.177 9.386 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.734 -6.442 9.860 1.00 0.00 N ATOM 720 NH2 ARG A 51 -9.700 -8.479 9.640 1.00 0.00 N ATOM 0 H ARG A 51 -8.766 -1.941 4.812 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.359 -3.349 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.799 -2.749 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.169 -3.579 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.652 -5.720 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.736 -4.758 7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.507 -4.618 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.730 -4.870 8.001 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.026 -7.208 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.766 -5.441 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.468 -6.878 10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.935 -9.048 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.436 -8.911 10.198 1.00 0.00 H new ATOM 734 N GLY A 52 -6.505 -5.506 4.050 1.00 0.00 N ATOM 735 CA GLY A 52 -6.570 -6.766 3.332 1.00 0.00 C ATOM 736 C GLY A 52 -5.755 -6.747 2.054 1.00 0.00 C ATOM 737 O GLY A 52 -5.084 -7.724 1.723 1.00 0.00 O ATOM 0 H GLY A 52 -5.563 -5.197 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.210 -7.567 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.609 -6.992 3.093 1.00 0.00 H new ATOM 741 N ASP A 53 -5.815 -5.633 1.333 1.00 0.00 N ATOM 742 CA ASP A 53 -5.078 -5.490 0.083 1.00 0.00 C ATOM 743 C ASP A 53 -3.602 -5.822 0.281 1.00 0.00 C ATOM 744 O ASP A 53 -2.911 -5.171 1.064 1.00 0.00 O ATOM 745 CB ASP A 53 -5.225 -4.069 -0.462 1.00 0.00 C ATOM 746 CG ASP A 53 -6.667 -3.710 -0.762 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.569 -4.327 -0.159 1.00 0.00 O ATOM 748 OD2 ASP A 53 -6.893 -2.813 -1.601 1.00 0.00 O ATOM 0 H ASP A 53 -6.367 -4.815 1.593 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.496 -6.192 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.821 -3.362 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.632 -3.969 -1.371 1.00 0.00 H new ATOM 753 N GLN A 54 -3.128 -6.839 -0.431 1.00 0.00 N ATOM 754 CA GLN A 54 -1.735 -7.258 -0.331 1.00 0.00 C ATOM 755 C GLN A 54 -0.841 -6.389 -1.209 1.00 0.00 C ATOM 756 O GLN A 54 -1.082 -6.244 -2.408 1.00 0.00 O ATOM 757 CB GLN A 54 -1.592 -8.727 -0.733 1.00 0.00 C ATOM 758 CG GLN A 54 -0.391 -9.415 -0.106 1.00 0.00 C ATOM 759 CD GLN A 54 -0.083 -10.753 -0.748 1.00 0.00 C ATOM 760 OE1 GLN A 54 1.138 -11.237 -0.553 1.00 0.00 O flip ATOM 761 NE2 GLN A 54 -0.934 -11.346 -1.413 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.688 -7.388 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.420 -7.140 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.497 -9.263 -0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.512 -8.792 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.480 -8.766 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.576 -9.561 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.860 -10.937 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.712 -12.246 -1.839 1.00 0.00 H new ATOM 770 N LEU A 55 0.192 -5.812 -0.605 1.00 0.00 N ATOM 771 CA LEU A 55 1.123 -4.955 -1.332 1.00 0.00 C ATOM 772 C LEU A 55 1.893 -5.754 -2.379 1.00 0.00 C ATOM 773 O LEU A 55 2.671 -6.648 -2.044 1.00 0.00 O ATOM 774 CB LEU A 55 2.100 -4.291 -0.360 1.00 0.00 C ATOM 775 CG LEU A 55 2.900 -3.112 -0.915 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.976 -1.952 -1.255 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.964 -2.674 0.081 1.00 0.00 C ATOM 0 H LEU A 55 0.406 -5.922 0.386 1.00 0.00 H new ATOM 0 HA LEU A 55 0.547 -4.183 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.539 -3.947 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.802 -5.047 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 55 3.397 -3.434 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.563 -1.122 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.252 -2.271 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.450 -1.630 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.524 -1.834 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.487 -2.371 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.644 -3.503 0.275 1.00 0.00 H new ATOM 789 N LEU A 56 1.672 -5.424 -3.647 1.00 0.00 N ATOM 790 CA LEU A 56 2.347 -6.109 -4.744 1.00 0.00 C ATOM 791 C LEU A 56 3.652 -5.406 -5.104 1.00 0.00 C ATOM 792 O LEU A 56 4.728 -6.001 -5.038 1.00 0.00 O ATOM 793 CB LEU A 56 1.434 -6.174 -5.969 1.00 0.00 C ATOM 794 CG LEU A 56 0.186 -7.046 -5.831 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.690 -6.923 -7.068 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.574 -8.498 -5.592 1.00 0.00 C ATOM 0 H LEU A 56 1.031 -4.687 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 56 2.580 -7.123 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.119 -5.160 -6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.018 -6.541 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.385 -6.697 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.574 -7.551 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.996 -5.885 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.129 -7.245 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.327 -9.104 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.167 -8.859 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.160 -8.572 -4.676 1.00 0.00 H new ATOM 808 N SER A 57 3.549 -4.136 -5.483 1.00 0.00 N ATOM 809 CA SER A 57 4.721 -3.352 -5.855 1.00 0.00 C ATOM 810 C SER A 57 4.517 -1.878 -5.518 1.00 0.00 C ATOM 811 O SER A 57 3.419 -1.341 -5.665 1.00 0.00 O ATOM 812 CB SER A 57 5.013 -3.510 -7.348 1.00 0.00 C ATOM 813 OG SER A 57 3.888 -3.147 -8.129 1.00 0.00 O ATOM 0 H SER A 57 2.666 -3.628 -5.541 1.00 0.00 H new ATOM 0 HA SER A 57 5.572 -3.723 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.866 -2.889 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.289 -4.543 -7.560 1.00 0.00 H new ATOM 0 HG SER A 57 4.101 -3.255 -9.079 1.00 0.00 H new ATOM 819 N VAL A 58 5.585 -1.228 -5.065 1.00 0.00 N ATOM 820 CA VAL A 58 5.525 0.185 -4.708 1.00 0.00 C ATOM 821 C VAL A 58 6.519 1.001 -5.528 1.00 0.00 C ATOM 822 O VAL A 58 7.654 0.579 -5.746 1.00 0.00 O ATOM 823 CB VAL A 58 5.814 0.398 -3.211 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.768 1.878 -2.863 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.828 -0.389 -2.361 1.00 0.00 C ATOM 0 H VAL A 58 6.501 -1.657 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 58 4.513 0.525 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 58 6.818 0.030 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.975 2.009 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.517 2.413 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.779 2.275 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.047 -0.227 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.813 -0.054 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.916 -1.451 -2.591 1.00 0.00 H new ATOM 835 N ASN A 59 6.084 2.173 -5.979 1.00 0.00 N ATOM 836 CA ASN A 59 6.935 3.049 -6.775 1.00 0.00 C ATOM 837 C ASN A 59 7.510 2.305 -7.976 1.00 0.00 C ATOM 838 O ASN A 59 8.640 2.557 -8.393 1.00 0.00 O ATOM 839 CB ASN A 59 8.071 3.609 -5.916 1.00 0.00 C ATOM 840 CG ASN A 59 7.596 4.684 -4.958 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.882 4.636 -3.762 1.00 0.00 O ATOM 842 ND2 ASN A 59 6.866 5.662 -5.482 1.00 0.00 N ATOM 0 H ASN A 59 5.147 2.538 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 59 6.324 3.874 -7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.528 2.798 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.844 4.020 -6.565 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.518 6.414 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.653 5.661 -6.480 1.00 0.00 H new ATOM 849 N GLY A 60 6.723 1.387 -8.529 1.00 0.00 N ATOM 850 CA GLY A 60 7.170 0.621 -9.677 1.00 0.00 C ATOM 851 C GLY A 60 8.252 -0.380 -9.321 1.00 0.00 C ATOM 852 O GLY A 60 9.109 -0.699 -10.145 1.00 0.00 O ATOM 0 H GLY A 60 5.784 1.160 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.320 0.094 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.546 1.302 -10.440 1.00 0.00 H new ATOM 856 N VAL A 61 8.214 -0.876 -8.088 1.00 0.00 N ATOM 857 CA VAL A 61 9.198 -1.846 -7.623 1.00 0.00 C ATOM 858 C VAL A 61 8.521 -3.054 -6.987 1.00 0.00 C ATOM 859 O VAL A 61 7.757 -2.919 -6.032 1.00 0.00 O ATOM 860 CB VAL A 61 10.167 -1.218 -6.604 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.154 -2.257 -6.095 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.897 -0.035 -7.222 1.00 0.00 C ATOM 0 H VAL A 61 7.512 -0.622 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 61 9.762 -2.169 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 61 9.588 -0.855 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.830 -1.795 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.611 -3.069 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.729 -2.653 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.577 0.397 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.465 -0.371 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.172 0.718 -7.532 1.00 0.00 H new ATOM 872 N SER A 62 8.808 -4.236 -7.522 1.00 0.00 N ATOM 873 CA SER A 62 8.224 -5.470 -7.009 1.00 0.00 C ATOM 874 C SER A 62 8.636 -5.703 -5.558 1.00 0.00 C ATOM 875 O SER A 62 9.818 -5.873 -5.256 1.00 0.00 O ATOM 876 CB SER A 62 8.653 -6.659 -7.870 1.00 0.00 C ATOM 877 OG SER A 62 8.311 -6.454 -9.230 1.00 0.00 O ATOM 0 H SER A 62 9.442 -4.366 -8.311 1.00 0.00 H new ATOM 0 HA SER A 62 7.139 -5.374 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.729 -6.807 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.175 -7.568 -7.505 1.00 0.00 H new ATOM 0 HG SER A 62 8.597 -7.227 -9.759 1.00 0.00 H new ATOM 883 N VAL A 63 7.653 -5.711 -4.664 1.00 0.00 N ATOM 884 CA VAL A 63 7.912 -5.924 -3.245 1.00 0.00 C ATOM 885 C VAL A 63 7.220 -7.187 -2.744 1.00 0.00 C ATOM 886 O VAL A 63 7.077 -7.392 -1.539 1.00 0.00 O ATOM 887 CB VAL A 63 7.439 -4.725 -2.402 1.00 0.00 C ATOM 888 CG1 VAL A 63 8.145 -3.451 -2.843 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.929 -4.568 -2.498 1.00 0.00 C ATOM 0 H VAL A 63 6.670 -5.572 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 63 8.991 -6.035 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 63 7.696 -4.912 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.798 -2.614 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.221 -3.569 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.922 -3.256 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.613 -3.716 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.646 -4.403 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.445 -5.472 -2.129 1.00 0.00 H new ATOM 899 N GLU A 64 6.792 -8.031 -3.678 1.00 0.00 N ATOM 900 CA GLU A 64 6.115 -9.275 -3.331 1.00 0.00 C ATOM 901 C GLU A 64 7.026 -10.178 -2.504 1.00 0.00 C ATOM 902 O GLU A 64 6.573 -10.866 -1.590 1.00 0.00 O ATOM 903 CB GLU A 64 5.664 -10.007 -4.596 1.00 0.00 C ATOM 904 CG GLU A 64 4.455 -9.376 -5.267 1.00 0.00 C ATOM 905 CD GLU A 64 4.838 -8.327 -6.292 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.966 -7.797 -6.206 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.011 -8.036 -7.181 1.00 0.00 O ATOM 0 H GLU A 64 6.902 -7.876 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 64 5.238 -9.027 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.491 -10.032 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.430 -11.041 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.866 -10.154 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.819 -8.921 -4.508 1.00 0.00 H new ATOM 914 N GLY A 65 8.314 -10.171 -2.834 1.00 0.00 N ATOM 915 CA GLY A 65 9.268 -10.994 -2.115 1.00 0.00 C ATOM 916 C GLY A 65 10.386 -10.178 -1.496 1.00 0.00 C ATOM 917 O GLY A 65 11.562 -10.506 -1.652 1.00 0.00 O ATOM 0 H GLY A 65 8.713 -9.610 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.749 -11.547 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.694 -11.731 -2.796 1.00 0.00 H new ATOM 921 N GLU A 66 10.019 -9.111 -0.793 1.00 0.00 N ATOM 922 CA GLU A 66 11.001 -8.244 -0.152 1.00 0.00 C ATOM 923 C GLU A 66 10.601 -7.943 1.290 1.00 0.00 C ATOM 924 O GLU A 66 9.438 -8.088 1.665 1.00 0.00 O ATOM 925 CB GLU A 66 11.150 -6.938 -0.935 1.00 0.00 C ATOM 926 CG GLU A 66 12.014 -7.069 -2.178 1.00 0.00 C ATOM 927 CD GLU A 66 13.493 -7.159 -1.855 1.00 0.00 C ATOM 928 OE1 GLU A 66 13.859 -7.956 -0.966 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.283 -6.432 -2.492 1.00 0.00 O ATOM 0 H GLU A 66 9.050 -8.826 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 66 11.958 -8.765 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.161 -6.584 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.581 -6.179 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.713 -7.957 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.840 -6.212 -2.829 1.00 0.00 H new ATOM 936 N GLN A 67 11.574 -7.525 2.092 1.00 0.00 N ATOM 937 CA GLN A 67 11.324 -7.204 3.493 1.00 0.00 C ATOM 938 C GLN A 67 10.487 -5.936 3.620 1.00 0.00 C ATOM 939 O GLN A 67 10.416 -5.131 2.691 1.00 0.00 O ATOM 940 CB GLN A 67 12.646 -7.034 4.243 1.00 0.00 C ATOM 941 CG GLN A 67 13.404 -5.773 3.862 1.00 0.00 C ATOM 942 CD GLN A 67 14.851 -5.803 4.311 1.00 0.00 C ATOM 943 OE1 GLN A 67 15.419 -6.871 4.545 1.00 0.00 O ATOM 944 NE2 GLN A 67 15.458 -4.628 4.435 1.00 0.00 N ATOM 0 H GLN A 67 12.542 -7.400 1.797 1.00 0.00 H new ATOM 0 HA GLN A 67 10.767 -8.030 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.447 -7.018 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.278 -7.900 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.366 -5.644 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.908 -4.909 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.950 -3.767 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.432 -4.586 4.734 1.00 0.00 H new ATOM 953 N HIS A 68 9.854 -5.764 4.776 1.00 0.00 N ATOM 954 CA HIS A 68 9.021 -4.593 5.025 1.00 0.00 C ATOM 955 C HIS A 68 9.804 -3.307 4.777 1.00 0.00 C ATOM 956 O HIS A 68 9.375 -2.448 4.007 1.00 0.00 O ATOM 957 CB HIS A 68 8.492 -4.613 6.459 1.00 0.00 C ATOM 958 CG HIS A 68 7.588 -3.462 6.781 1.00 0.00 C ATOM 959 ND1 HIS A 68 7.668 -2.153 6.445 1.00 0.00 N flip ATOM 960 CD2 HIS A 68 6.443 -3.593 7.537 1.00 0.00 C flip ATOM 961 CE1 HIS A 68 6.580 -1.524 6.997 1.00 0.00 C flip ATOM 962 NE2 HIS A 68 5.856 -2.414 7.651 1.00 0.00 N flip ATOM 0 H HIS A 68 9.902 -6.421 5.555 1.00 0.00 H new ATOM 0 HA HIS A 68 8.178 -4.624 4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.953 -5.545 6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.336 -4.605 7.149 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.082 -4.515 7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.353 -0.472 6.910 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.991 -2.224 8.158 1.00 0.00 H new ATOM 970 N GLU A 69 10.952 -3.183 5.434 1.00 0.00 N ATOM 971 CA GLU A 69 11.793 -2.001 5.285 1.00 0.00 C ATOM 972 C GLU A 69 11.852 -1.556 3.827 1.00 0.00 C ATOM 973 O GLU A 69 11.567 -0.402 3.505 1.00 0.00 O ATOM 974 CB GLU A 69 13.205 -2.284 5.801 1.00 0.00 C ATOM 975 CG GLU A 69 13.326 -2.214 7.314 1.00 0.00 C ATOM 976 CD GLU A 69 12.725 -3.424 8.003 1.00 0.00 C ATOM 977 OE1 GLU A 69 13.368 -4.495 7.987 1.00 0.00 O ATOM 978 OE2 GLU A 69 11.614 -3.300 8.559 1.00 0.00 O ATOM 0 H GLU A 69 11.321 -3.886 6.074 1.00 0.00 H new ATOM 0 HA GLU A 69 11.353 -1.197 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.513 -3.274 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.896 -1.567 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.378 -2.130 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.830 -1.312 7.673 1.00 0.00 H new ATOM 985 N LYS A 70 12.225 -2.479 2.947 1.00 0.00 N ATOM 986 CA LYS A 70 12.322 -2.185 1.522 1.00 0.00 C ATOM 987 C LYS A 70 11.155 -1.316 1.066 1.00 0.00 C ATOM 988 O LYS A 70 11.352 -0.273 0.442 1.00 0.00 O ATOM 989 CB LYS A 70 12.352 -3.483 0.713 1.00 0.00 C ATOM 990 CG LYS A 70 12.599 -3.270 -0.770 1.00 0.00 C ATOM 991 CD LYS A 70 14.083 -3.162 -1.079 1.00 0.00 C ATOM 992 CE LYS A 70 14.324 -2.770 -2.528 1.00 0.00 C ATOM 993 NZ LYS A 70 13.993 -3.879 -3.465 1.00 0.00 N ATOM 0 H LYS A 70 12.465 -3.438 3.196 1.00 0.00 H new ATOM 0 HA LYS A 70 13.249 -1.637 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.131 -4.132 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.404 -4.005 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.168 -4.097 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.091 -2.363 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.540 -2.423 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.569 -4.116 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.721 -1.896 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.368 -2.484 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.523 -3.755 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.251 -4.788 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.973 -3.869 -3.668 1.00 0.00 H new ATOM 1007 N ALA A 71 9.940 -1.751 1.382 1.00 0.00 N ATOM 1008 CA ALA A 71 8.741 -1.011 1.007 1.00 0.00 C ATOM 1009 C ALA A 71 8.759 0.396 1.596 1.00 0.00 C ATOM 1010 O ALA A 71 8.619 1.384 0.874 1.00 0.00 O ATOM 1011 CB ALA A 71 7.496 -1.759 1.459 1.00 0.00 C ATOM 0 H ALA A 71 9.760 -2.613 1.897 1.00 0.00 H new ATOM 0 HA ALA A 71 8.723 -0.922 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.608 -1.195 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.470 -2.741 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.516 -1.878 2.542 1.00 0.00 H new ATOM 1017 N VAL A 72 8.930 0.480 2.911 1.00 0.00 N ATOM 1018 CA VAL A 72 8.966 1.766 3.597 1.00 0.00 C ATOM 1019 C VAL A 72 9.938 2.724 2.918 1.00 0.00 C ATOM 1020 O VAL A 72 9.608 3.882 2.663 1.00 0.00 O ATOM 1021 CB VAL A 72 9.371 1.604 5.074 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.542 2.964 5.734 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.342 0.767 5.819 1.00 0.00 C ATOM 0 H VAL A 72 9.046 -0.328 3.523 1.00 0.00 H new ATOM 0 HA VAL A 72 7.958 2.179 3.547 1.00 0.00 H new ATOM 0 HB VAL A 72 10.328 1.084 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.828 2.829 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.319 3.525 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.602 3.513 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.644 0.662 6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.370 1.257 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.274 -0.219 5.360 1.00 0.00 H new ATOM 1033 N GLU A 73 11.139 2.233 2.627 1.00 0.00 N ATOM 1034 CA GLU A 73 12.159 3.047 1.977 1.00 0.00 C ATOM 1035 C GLU A 73 11.612 3.696 0.709 1.00 0.00 C ATOM 1036 O GLU A 73 11.717 4.910 0.524 1.00 0.00 O ATOM 1037 CB GLU A 73 13.384 2.194 1.638 1.00 0.00 C ATOM 1038 CG GLU A 73 14.015 1.527 2.848 1.00 0.00 C ATOM 1039 CD GLU A 73 15.042 2.409 3.531 1.00 0.00 C ATOM 1040 OE1 GLU A 73 14.650 3.215 4.399 1.00 0.00 O ATOM 1041 OE2 GLU A 73 16.240 2.292 3.195 1.00 0.00 O ATOM 0 H GLU A 73 11.429 1.277 2.831 1.00 0.00 H new ATOM 0 HA GLU A 73 12.453 3.835 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.094 1.426 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.129 2.822 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.234 1.265 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.490 0.596 2.539 1.00 0.00 H new ATOM 1048 N LEU A 74 11.027 2.880 -0.161 1.00 0.00 N ATOM 1049 CA LEU A 74 10.463 3.374 -1.413 1.00 0.00 C ATOM 1050 C LEU A 74 9.558 4.577 -1.165 1.00 0.00 C ATOM 1051 O LEU A 74 9.759 5.647 -1.740 1.00 0.00 O ATOM 1052 CB LEU A 74 9.676 2.265 -2.112 1.00 0.00 C ATOM 1053 CG LEU A 74 10.452 0.985 -2.425 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.512 -0.101 -2.926 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.545 1.261 -3.448 1.00 0.00 C ATOM 0 H LEU A 74 10.931 1.874 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 74 11.286 3.688 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.822 2.004 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.279 2.662 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 74 10.922 0.634 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.082 -1.004 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.766 -0.318 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.013 0.240 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.087 0.339 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.096 1.637 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.235 2.005 -3.051 1.00 0.00 H new ATOM 1067 N LEU A 75 8.563 4.394 -0.304 1.00 0.00 N ATOM 1068 CA LEU A 75 7.628 5.466 0.023 1.00 0.00 C ATOM 1069 C LEU A 75 8.355 6.799 0.162 1.00 0.00 C ATOM 1070 O LEU A 75 7.969 7.796 -0.448 1.00 0.00 O ATOM 1071 CB LEU A 75 6.882 5.141 1.318 1.00 0.00 C ATOM 1072 CG LEU A 75 5.787 4.078 1.214 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.427 3.545 2.592 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.557 4.647 0.522 1.00 0.00 C ATOM 0 H LEU A 75 8.383 3.515 0.180 1.00 0.00 H new ATOM 0 HA LEU A 75 6.909 5.549 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.610 4.813 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.434 6.060 1.696 1.00 0.00 H new ATOM 0 HG LEU A 75 6.166 3.250 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.647 2.790 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.309 3.099 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.067 4.363 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.788 3.877 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.176 5.493 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.825 4.979 -0.481 1.00 0.00 H new ATOM 1086 N LYS A 76 9.411 6.810 0.968 1.00 0.00 N ATOM 1087 CA LYS A 76 10.196 8.020 1.186 1.00 0.00 C ATOM 1088 C LYS A 76 10.876 8.467 -0.104 1.00 0.00 C ATOM 1089 O LYS A 76 10.917 9.657 -0.415 1.00 0.00 O ATOM 1090 CB LYS A 76 11.247 7.782 2.273 1.00 0.00 C ATOM 1091 CG LYS A 76 10.669 7.732 3.677 1.00 0.00 C ATOM 1092 CD LYS A 76 11.725 7.353 4.701 1.00 0.00 C ATOM 1093 CE LYS A 76 11.913 5.845 4.775 1.00 0.00 C ATOM 1094 NZ LYS A 76 12.896 5.460 5.826 1.00 0.00 N ATOM 0 H LYS A 76 9.744 5.994 1.482 1.00 0.00 H new ATOM 0 HA LYS A 76 9.518 8.809 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.764 6.844 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.994 8.575 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.246 8.704 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.853 7.010 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.672 7.827 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.436 7.733 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.955 5.369 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.251 5.473 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.536 4.731 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.449 6.295 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.390 5.085 6.654 1.00 0.00 H new ATOM 1108 N ALA A 77 11.407 7.505 -0.852 1.00 0.00 N ATOM 1109 CA ALA A 77 12.082 7.800 -2.110 1.00 0.00 C ATOM 1110 C ALA A 77 11.195 8.635 -3.026 1.00 0.00 C ATOM 1111 O ALA A 77 11.658 9.582 -3.660 1.00 0.00 O ATOM 1112 CB ALA A 77 12.493 6.509 -2.803 1.00 0.00 C ATOM 0 H ALA A 77 11.383 6.515 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 77 12.977 8.381 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.996 6.744 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.171 5.950 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.607 5.908 -3.007 1.00 0.00 H new ATOM 1118 N ALA A 78 9.916 8.277 -3.091 1.00 0.00 N ATOM 1119 CA ALA A 78 8.964 8.995 -3.929 1.00 0.00 C ATOM 1120 C ALA A 78 8.804 10.439 -3.465 1.00 0.00 C ATOM 1121 O ALA A 78 9.100 10.768 -2.317 1.00 0.00 O ATOM 1122 CB ALA A 78 7.618 8.286 -3.925 1.00 0.00 C ATOM 0 H ALA A 78 9.516 7.494 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 78 9.353 9.009 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.917 8.833 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.739 7.274 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.233 8.242 -2.906 1.00 0.00 H new ATOM 1128 N GLN A 79 8.335 11.297 -4.366 1.00 0.00 N ATOM 1129 CA GLN A 79 8.137 12.706 -4.048 1.00 0.00 C ATOM 1130 C GLN A 79 6.900 13.254 -4.751 1.00 0.00 C ATOM 1131 O GLN A 79 6.729 13.077 -5.956 1.00 0.00 O ATOM 1132 CB GLN A 79 9.369 13.519 -4.450 1.00 0.00 C ATOM 1133 CG GLN A 79 10.401 13.649 -3.341 1.00 0.00 C ATOM 1134 CD GLN A 79 9.981 14.633 -2.267 1.00 0.00 C ATOM 1135 OE1 GLN A 79 9.061 15.428 -2.462 1.00 0.00 O ATOM 1136 NE2 GLN A 79 10.655 14.585 -1.124 1.00 0.00 N ATOM 0 H GLN A 79 8.085 11.041 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 79 7.989 12.792 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.836 13.051 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.052 14.515 -4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.568 12.672 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.351 13.968 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.410 13.910 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.417 15.223 -0.365 1.00 0.00 H new ATOM 1145 N GLY A 80 6.039 13.922 -3.989 1.00 0.00 N ATOM 1146 CA GLY A 80 4.828 14.486 -4.556 1.00 0.00 C ATOM 1147 C GLY A 80 3.701 13.476 -4.636 1.00 0.00 C ATOM 1148 O GLY A 80 2.539 13.814 -4.412 1.00 0.00 O ATOM 0 H GLY A 80 6.159 14.083 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.509 15.335 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.041 14.868 -5.554 1.00 0.00 H new ATOM 1152 N SER A 81 4.044 12.233 -4.958 1.00 0.00 N ATOM 1153 CA SER A 81 3.051 11.171 -5.073 1.00 0.00 C ATOM 1154 C SER A 81 3.724 9.805 -5.157 1.00 0.00 C ATOM 1155 O SER A 81 4.855 9.685 -5.627 1.00 0.00 O ATOM 1156 CB SER A 81 2.172 11.397 -6.305 1.00 0.00 C ATOM 1157 OG SER A 81 1.031 12.171 -5.983 1.00 0.00 O ATOM 0 H SER A 81 5.002 11.936 -5.144 1.00 0.00 H new ATOM 0 HA SER A 81 2.425 11.194 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.750 11.901 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.860 10.436 -6.714 1.00 0.00 H new ATOM 0 HG SER A 81 1.307 12.969 -5.485 1.00 0.00 H new ATOM 1163 N VAL A 82 3.018 8.775 -4.698 1.00 0.00 N ATOM 1164 CA VAL A 82 3.546 7.416 -4.722 1.00 0.00 C ATOM 1165 C VAL A 82 2.635 6.488 -5.517 1.00 0.00 C ATOM 1166 O VAL A 82 1.472 6.804 -5.768 1.00 0.00 O ATOM 1167 CB VAL A 82 3.714 6.855 -3.297 1.00 0.00 C ATOM 1168 CG1 VAL A 82 4.969 7.418 -2.647 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.484 7.160 -2.456 1.00 0.00 C ATOM 0 H VAL A 82 2.080 8.856 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 82 4.523 7.463 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 82 3.822 5.772 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.072 7.011 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.841 7.143 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.895 8.504 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.620 6.756 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.342 8.239 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.607 6.703 -2.915 1.00 0.00 H new ATOM 1179 N LYS A 83 3.172 5.338 -5.913 1.00 0.00 N ATOM 1180 CA LYS A 83 2.409 4.361 -6.680 1.00 0.00 C ATOM 1181 C LYS A 83 2.356 3.021 -5.953 1.00 0.00 C ATOM 1182 O LYS A 83 3.351 2.298 -5.889 1.00 0.00 O ATOM 1183 CB LYS A 83 3.027 4.176 -8.068 1.00 0.00 C ATOM 1184 CG LYS A 83 2.541 5.189 -9.090 1.00 0.00 C ATOM 1185 CD LYS A 83 3.579 5.430 -10.173 1.00 0.00 C ATOM 1186 CE LYS A 83 2.972 6.128 -11.381 1.00 0.00 C ATOM 1187 NZ LYS A 83 2.975 7.609 -11.226 1.00 0.00 N ATOM 0 H LYS A 83 4.133 5.060 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 83 1.391 4.736 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.112 4.247 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.799 3.172 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.616 4.834 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.310 6.130 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.391 6.036 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.013 4.479 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.531 5.856 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.949 5.780 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.553 8.047 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.421 7.871 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.953 7.944 -11.114 1.00 0.00 H new ATOM 1201 N LEU A 84 1.189 2.695 -5.408 1.00 0.00 N ATOM 1202 CA LEU A 84 1.006 1.440 -4.686 1.00 0.00 C ATOM 1203 C LEU A 84 0.150 0.469 -5.493 1.00 0.00 C ATOM 1204 O LEU A 84 -1.039 0.703 -5.707 1.00 0.00 O ATOM 1205 CB LEU A 84 0.357 1.701 -3.326 1.00 0.00 C ATOM 1206 CG LEU A 84 0.991 2.807 -2.481 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -0.049 3.453 -1.579 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.144 2.252 -1.656 1.00 0.00 C ATOM 0 H LEU A 84 0.356 3.282 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 84 1.987 0.991 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.691 1.951 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.379 0.775 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 84 1.384 3.571 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.421 4.237 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.842 3.885 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.473 2.700 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.584 3.052 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.774 1.469 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.901 1.837 -2.322 1.00 0.00 H new ATOM 1220 N VAL A 85 0.763 -0.625 -5.935 1.00 0.00 N ATOM 1221 CA VAL A 85 0.057 -1.634 -6.715 1.00 0.00 C ATOM 1222 C VAL A 85 -0.512 -2.726 -5.815 1.00 0.00 C ATOM 1223 O VAL A 85 0.232 -3.445 -5.147 1.00 0.00 O ATOM 1224 CB VAL A 85 0.980 -2.280 -7.765 1.00 0.00 C ATOM 1225 CG1 VAL A 85 0.238 -3.358 -8.539 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.535 -1.222 -8.708 1.00 0.00 C ATOM 0 H VAL A 85 1.747 -0.835 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.760 -1.124 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 85 1.817 -2.750 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.907 -3.802 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.106 -4.129 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.619 -2.916 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.185 -1.695 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.712 -0.722 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.106 -0.489 -8.137 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.836 -2.844 -5.802 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.505 -3.849 -4.985 1.00 0.00 C ATOM 1238 C VAL A 86 -3.230 -4.871 -5.854 1.00 0.00 C ATOM 1239 O VAL A 86 -3.456 -4.641 -7.042 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.517 -3.204 -4.019 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.815 -2.233 -3.081 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.622 -2.505 -4.795 1.00 0.00 C ATOM 0 H VAL A 86 -2.466 -2.256 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.731 -4.353 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.970 -3.990 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.545 -1.787 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.063 -2.767 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.333 -1.448 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.328 -2.055 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.189 -1.728 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.142 -3.230 -5.420 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.592 -6.000 -5.254 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.290 -7.058 -5.974 1.00 0.00 C ATOM 1254 C ARG A 87 -5.762 -7.109 -5.572 1.00 0.00 C ATOM 1255 O ARG A 87 -6.101 -7.557 -4.477 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.630 -8.410 -5.703 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.951 -9.466 -6.749 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.025 -9.360 -7.950 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.180 -10.490 -8.862 1.00 0.00 N ATOM 1260 CZ ARG A 87 -2.737 -11.714 -8.597 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -2.115 -11.964 -7.454 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -2.916 -12.690 -9.478 1.00 0.00 N ATOM 0 H ARG A 87 -3.413 -6.206 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.229 -6.839 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.550 -8.274 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.949 -8.771 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.862 -10.458 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.985 -9.355 -7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.229 -8.432 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.991 -9.310 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.654 -10.331 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.975 -11.216 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.776 -12.905 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.394 -12.500 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.576 -13.630 -9.274 1.00 0.00 H new