USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 583 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 27 HIS : no HD1:sc= -0.743 X(o=-1.7,f=-1.9) USER MOD Set 1.2: A 57 TYR OH : rot 148:sc= -0.958 USER MOD Set 2.1: A 48 THR OG1 : rot 160:sc= -0.0045 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 14 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.61) USER MOD Single : A 15 SER OG : rot -65:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.26) USER MOD Single : A 26 MET CE :methyl -158:sc= -0.059 (180deg=-0.425) USER MOD Single : A 28 CYS SG : rot 33:sc= -1.95! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.589 K(o=-0.59,f=-2!) USER MOD Single : A 42 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.7!) USER MOD Single : A 46 MET CE :methyl -156:sc= -1.06 (180deg=-3.27!) USER MOD Single : A 66 ASN : amide:sc= -3.12 X(o=-3.1,f=-3.3!) USER MOD Single : A 69 CYS SG : rot -136:sc= 0.399 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0726 (180deg=-0.356) USER MOD Single : A 76 ASN : amide:sc= -0.042 K(o=-0.042,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.047 2.477 -10.524 1.00 0.00 N ATOM 67 CA MET A 8 -7.222 2.040 -9.404 1.00 0.00 C ATOM 68 C MET A 8 -8.089 1.588 -8.233 1.00 0.00 C ATOM 69 O MET A 8 -8.231 0.391 -7.980 1.00 0.00 O ATOM 70 CB MET A 8 -6.290 3.168 -8.957 1.00 0.00 C ATOM 71 CG MET A 8 -4.924 3.127 -9.621 1.00 0.00 C ATOM 72 SD MET A 8 -4.173 4.760 -9.768 1.00 0.00 S ATOM 73 CE MET A 8 -2.813 4.612 -8.612 1.00 0.00 C ATOM 0 HA MET A 8 -6.622 1.193 -9.737 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.762 4.126 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.161 3.115 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.264 2.478 -9.045 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.020 2.685 -10.613 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.251 5.546 -8.590 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.203 4.400 -7.617 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.156 3.800 -8.925 1.00 0.00 H new ATOM 83 N ILE A 9 -8.666 2.551 -7.524 1.00 0.00 N ATOM 84 CA ILE A 9 -9.520 2.251 -6.381 1.00 0.00 C ATOM 85 C ILE A 9 -10.412 1.047 -6.663 1.00 0.00 C ATOM 86 O ILE A 9 -10.454 0.096 -5.883 1.00 0.00 O ATOM 87 CB ILE A 9 -10.404 3.455 -6.007 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.543 4.701 -5.793 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.219 3.147 -4.760 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.329 5.512 -7.052 1.00 0.00 C ATOM 0 H ILE A 9 -8.558 3.546 -7.720 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.859 2.023 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.093 3.650 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.013 5.333 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.574 4.399 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.839 4.008 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.857 2.283 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.546 2.929 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.710 6.380 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.830 4.897 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.292 5.845 -7.439 1.00 0.00 H new ATOM 102 N ALA A 10 -11.124 1.094 -7.785 1.00 0.00 N ATOM 103 CA ALA A 10 -12.012 0.006 -8.172 1.00 0.00 C ATOM 104 C ALA A 10 -11.288 -1.335 -8.131 1.00 0.00 C ATOM 105 O ALA A 10 -11.685 -2.243 -7.401 1.00 0.00 O ATOM 106 CB ALA A 10 -12.582 0.258 -9.561 1.00 0.00 C ATOM 0 H ALA A 10 -11.102 1.875 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.833 -0.032 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.244 -0.563 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.144 1.192 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.767 0.325 -10.282 1.00 0.00 H new ATOM 112 N ALA A 11 -10.225 -1.453 -8.920 1.00 0.00 N ATOM 113 CA ALA A 11 -9.445 -2.683 -8.972 1.00 0.00 C ATOM 114 C ALA A 11 -9.047 -3.140 -7.573 1.00 0.00 C ATOM 115 O ALA A 11 -9.400 -4.239 -7.144 1.00 0.00 O ATOM 116 CB ALA A 11 -8.209 -2.488 -9.838 1.00 0.00 C ATOM 0 H ALA A 11 -9.884 -0.711 -9.532 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.067 -3.460 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.636 -3.415 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.512 -2.216 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.592 -1.693 -9.418 1.00 0.00 H new ATOM 122 N TYR A 12 -8.309 -2.291 -6.866 1.00 0.00 N ATOM 123 CA TYR A 12 -7.860 -2.610 -5.516 1.00 0.00 C ATOM 124 C TYR A 12 -9.033 -3.030 -4.636 1.00 0.00 C ATOM 125 O TYR A 12 -9.143 -4.191 -4.242 1.00 0.00 O ATOM 126 CB TYR A 12 -7.148 -1.406 -4.895 1.00 0.00 C ATOM 127 CG TYR A 12 -5.798 -1.118 -5.511 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.858 -2.127 -5.677 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.462 0.165 -5.928 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.623 -1.868 -6.239 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.230 0.433 -6.492 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.313 -0.587 -6.644 1.00 0.00 C ATOM 133 OH TYR A 12 -2.085 -0.324 -7.206 1.00 0.00 O ATOM 0 H TYR A 12 -8.009 -1.377 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.161 -3.444 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.782 -0.525 -5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.021 -1.581 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.097 -3.132 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.177 0.966 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.904 -2.665 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.986 1.435 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.028 0.627 -7.437 1.00 0.00 H new ATOM 143 N GLU A 13 -9.909 -2.076 -4.333 1.00 0.00 N ATOM 144 CA GLU A 13 -11.074 -2.347 -3.500 1.00 0.00 C ATOM 145 C GLU A 13 -11.629 -3.741 -3.777 1.00 0.00 C ATOM 146 O GLU A 13 -11.815 -4.540 -2.860 1.00 0.00 O ATOM 147 CB GLU A 13 -12.159 -1.296 -3.745 1.00 0.00 C ATOM 148 CG GLU A 13 -13.057 -1.057 -2.543 1.00 0.00 C ATOM 149 CD GLU A 13 -12.484 -0.035 -1.581 1.00 0.00 C ATOM 150 OE1 GLU A 13 -11.611 -0.409 -0.770 1.00 0.00 O ATOM 151 OE2 GLU A 13 -12.907 1.138 -1.638 1.00 0.00 O ATOM 0 H GLU A 13 -9.833 -1.110 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.762 -2.300 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.685 -0.356 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.772 -1.609 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.035 -0.719 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.212 -1.999 -2.017 1.00 0.00 H new ATOM 158 N ASN A 14 -11.892 -4.025 -5.049 1.00 0.00 N ATOM 159 CA ASN A 14 -12.427 -5.322 -5.448 1.00 0.00 C ATOM 160 C ASN A 14 -11.421 -6.434 -5.169 1.00 0.00 C ATOM 161 O ASN A 14 -11.796 -7.542 -4.785 1.00 0.00 O ATOM 162 CB ASN A 14 -12.794 -5.310 -6.933 1.00 0.00 C ATOM 163 CG ASN A 14 -13.060 -6.702 -7.473 1.00 0.00 C ATOM 164 OD1 ASN A 14 -12.132 -7.438 -7.810 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.333 -7.070 -7.559 1.00 0.00 N ATOM 0 H ASN A 14 -11.743 -3.375 -5.821 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.325 -5.514 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.678 -4.690 -7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.985 -4.851 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.574 -7.995 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.070 -6.428 -7.268 1.00 0.00 H new ATOM 172 N SER A 15 -10.142 -6.131 -5.364 1.00 0.00 N ATOM 173 CA SER A 15 -9.082 -7.105 -5.137 1.00 0.00 C ATOM 174 C SER A 15 -9.164 -7.679 -3.725 1.00 0.00 C ATOM 175 O SER A 15 -9.874 -7.151 -2.869 1.00 0.00 O ATOM 176 CB SER A 15 -7.712 -6.461 -5.359 1.00 0.00 C ATOM 177 OG SER A 15 -7.216 -5.892 -4.160 1.00 0.00 O ATOM 0 H SER A 15 -9.815 -5.218 -5.679 1.00 0.00 H new ATOM 0 HA SER A 15 -9.213 -7.919 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.010 -7.209 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.789 -5.691 -6.126 1.00 0.00 H new ATOM 0 HG SER A 15 -7.795 -5.150 -3.886 1.00 0.00 H new ATOM 183 N LYS A 16 -8.433 -8.763 -3.490 1.00 0.00 N ATOM 184 CA LYS A 16 -8.420 -9.409 -2.183 1.00 0.00 C ATOM 185 C LYS A 16 -6.993 -9.565 -1.667 1.00 0.00 C ATOM 186 O LYS A 16 -6.057 -9.739 -2.447 1.00 0.00 O ATOM 187 CB LYS A 16 -9.097 -10.779 -2.263 1.00 0.00 C ATOM 188 CG LYS A 16 -8.378 -11.762 -3.171 1.00 0.00 C ATOM 189 CD LYS A 16 -9.216 -13.003 -3.424 1.00 0.00 C ATOM 190 CE LYS A 16 -10.105 -12.836 -4.647 1.00 0.00 C ATOM 191 NZ LYS A 16 -11.355 -13.638 -4.538 1.00 0.00 N ATOM 0 H LYS A 16 -7.841 -9.213 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.972 -8.777 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.160 -11.203 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.119 -10.649 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.146 -11.279 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.429 -12.049 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.561 -13.863 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.833 -13.211 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.359 -11.783 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.556 -13.138 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.933 -13.497 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.114 -14.645 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.892 -13.332 -3.701 1.00 0.00 H new ATOM 205 N TRP A 17 -6.835 -9.501 -0.350 1.00 0.00 N ATOM 206 CA TRP A 17 -5.522 -9.637 0.270 1.00 0.00 C ATOM 207 C TRP A 17 -4.796 -10.870 -0.256 1.00 0.00 C ATOM 208 O TRP A 17 -5.423 -11.878 -0.581 1.00 0.00 O ATOM 209 CB TRP A 17 -5.659 -9.720 1.791 1.00 0.00 C ATOM 210 CG TRP A 17 -4.343 -9.802 2.502 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.662 -8.773 3.088 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.547 -10.976 2.701 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.492 -9.237 3.639 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.398 -10.585 3.416 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.695 -12.320 2.346 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.405 -11.490 3.780 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.708 -13.216 2.708 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.575 -12.799 3.420 1.00 0.00 C ATOM 0 H TRP A 17 -7.600 -9.356 0.309 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.934 -8.756 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.203 -8.845 2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.258 -10.594 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.994 -7.746 3.114 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.804 -8.669 4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.565 -12.652 1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.531 -11.170 4.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.811 -14.256 2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.822 -13.525 3.690 1.00 0.00 H new ATOM 229 N GLU A 18 -3.472 -10.783 -0.338 1.00 0.00 N ATOM 230 CA GLU A 18 -2.663 -11.894 -0.825 1.00 0.00 C ATOM 231 C GLU A 18 -1.352 -11.993 -0.051 1.00 0.00 C ATOM 232 O GLU A 18 -0.721 -10.989 0.281 1.00 0.00 O ATOM 233 CB GLU A 18 -2.375 -11.727 -2.319 1.00 0.00 C ATOM 234 CG GLU A 18 -1.045 -12.321 -2.752 1.00 0.00 C ATOM 235 CD GLU A 18 -0.709 -12.007 -4.197 1.00 0.00 C ATOM 236 OE1 GLU A 18 -1.648 -11.805 -4.995 1.00 0.00 O ATOM 237 OE2 GLU A 18 0.494 -11.963 -4.530 1.00 0.00 O ATOM 0 H GLU A 18 -2.937 -9.955 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.226 -12.815 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.176 -12.197 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.387 -10.666 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.253 -11.939 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.073 -13.402 -2.616 1.00 0.00 H new ATOM 244 N PRO A 19 -0.932 -13.232 0.244 1.00 0.00 N ATOM 245 CA PRO A 19 0.308 -13.492 0.983 1.00 0.00 C ATOM 246 C PRO A 19 1.551 -13.160 0.165 1.00 0.00 C ATOM 247 O PRO A 19 2.008 -13.968 -0.644 1.00 0.00 O ATOM 248 CB PRO A 19 0.241 -14.995 1.268 1.00 0.00 C ATOM 249 CG PRO A 19 -0.627 -15.547 0.191 1.00 0.00 C ATOM 250 CD PRO A 19 -1.634 -14.474 -0.120 1.00 0.00 C ATOM 0 HA PRO A 19 0.386 -12.877 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.233 -15.446 1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.178 -15.192 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.040 -15.799 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.120 -16.462 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.917 -14.482 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.549 -14.602 0.458 1.00 0.00 H new ATOM 258 N VAL A 20 2.094 -11.966 0.381 1.00 0.00 N ATOM 259 CA VAL A 20 3.286 -11.528 -0.336 1.00 0.00 C ATOM 260 C VAL A 20 4.334 -10.978 0.625 1.00 0.00 C ATOM 261 O VAL A 20 4.019 -10.200 1.526 1.00 0.00 O ATOM 262 CB VAL A 20 2.947 -10.448 -1.381 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.071 -9.367 -0.767 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.220 -9.850 -1.960 1.00 0.00 C ATOM 0 H VAL A 20 1.728 -11.285 1.046 1.00 0.00 H new ATOM 0 HA VAL A 20 3.688 -12.403 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 20 2.390 -10.915 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.842 -8.613 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.144 -9.812 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.598 -8.900 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.962 -9.089 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.806 -9.397 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.806 -10.635 -2.439 1.00 0.00 H new ATOM 274 N LYS A 21 5.582 -11.388 0.428 1.00 0.00 N ATOM 275 CA LYS A 21 6.680 -10.937 1.275 1.00 0.00 C ATOM 276 C LYS A 21 7.206 -9.583 0.808 1.00 0.00 C ATOM 277 O LYS A 21 7.906 -9.494 -0.201 1.00 0.00 O ATOM 278 CB LYS A 21 7.812 -11.966 1.270 1.00 0.00 C ATOM 279 CG LYS A 21 8.952 -11.621 2.213 1.00 0.00 C ATOM 280 CD LYS A 21 9.638 -12.870 2.739 1.00 0.00 C ATOM 281 CE LYS A 21 8.873 -13.478 3.904 1.00 0.00 C ATOM 282 NZ LYS A 21 9.424 -14.804 4.298 1.00 0.00 N ATOM 0 H LYS A 21 5.859 -12.033 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 21 6.301 -10.829 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.407 -12.940 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.204 -12.057 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.679 -10.997 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.569 -11.036 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.725 -13.603 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.651 -12.623 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.912 -12.801 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.823 -13.587 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.875 -15.185 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.364 -15.458 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.418 -14.696 4.583 1.00 0.00 H new ATOM 296 N TRP A 22 6.867 -8.534 1.548 1.00 0.00 N ATOM 297 CA TRP A 22 7.308 -7.186 1.210 1.00 0.00 C ATOM 298 C TRP A 22 8.817 -7.047 1.380 1.00 0.00 C ATOM 299 O TRP A 22 9.374 -7.451 2.400 1.00 0.00 O ATOM 300 CB TRP A 22 6.587 -6.157 2.084 1.00 0.00 C ATOM 301 CG TRP A 22 5.118 -6.064 1.802 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.099 -6.275 2.687 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.505 -5.738 0.550 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.889 -6.099 2.060 1.00 0.00 N ATOM 305 CE2 TRP A 22 3.110 -5.768 0.749 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.997 -5.421 -0.718 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.207 -5.495 -0.274 1.00 0.00 C ATOM 308 CZ3 TRP A 22 4.099 -5.150 -1.733 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.716 -5.188 -1.506 1.00 0.00 C ATOM 0 H TRP A 22 6.288 -8.591 2.386 1.00 0.00 H new ATOM 0 HA TRP A 22 7.061 -7.002 0.164 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.733 -6.416 3.133 1.00 0.00 H new ATOM 0 HB3 TRP A 22 7.042 -5.178 1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.226 -6.541 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.974 -6.199 2.500 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.061 -5.388 -0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.141 -5.524 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.469 -4.905 -2.718 1.00 0.00 H new ATOM 0 HH2 TRP A 22 2.040 -4.971 -2.319 1.00 0.00 H new ATOM 320 N GLU A 23 9.471 -6.474 0.375 1.00 0.00 N ATOM 321 CA GLU A 23 10.916 -6.284 0.415 1.00 0.00 C ATOM 322 C GLU A 23 11.270 -4.800 0.411 1.00 0.00 C ATOM 323 O GLU A 23 10.487 -3.966 -0.041 1.00 0.00 O ATOM 324 CB GLU A 23 11.578 -6.980 -0.777 1.00 0.00 C ATOM 325 CG GLU A 23 11.323 -8.477 -0.825 1.00 0.00 C ATOM 326 CD GLU A 23 11.548 -9.063 -2.206 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.003 -8.505 -3.182 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.267 -10.078 -2.310 1.00 0.00 O ATOM 0 H GLU A 23 9.024 -6.134 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 23 11.289 -6.727 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.213 -6.528 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.653 -6.804 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.978 -8.976 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.298 -8.678 -0.512 1.00 0.00 H new ATOM 335 N ASN A 24 12.455 -4.479 0.920 1.00 0.00 N ATOM 336 CA ASN A 24 12.913 -3.095 0.977 1.00 0.00 C ATOM 337 C ASN A 24 12.975 -2.485 -0.420 1.00 0.00 C ATOM 338 O ASN A 24 13.237 -3.181 -1.402 1.00 0.00 O ATOM 339 CB ASN A 24 14.289 -3.018 1.641 1.00 0.00 C ATOM 340 CG ASN A 24 14.951 -1.668 1.446 1.00 0.00 C ATOM 341 OD1 ASN A 24 15.814 -1.506 0.583 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.548 -0.690 2.249 1.00 0.00 N ATOM 0 H ASN A 24 13.115 -5.158 1.299 1.00 0.00 H new ATOM 0 HA ASN A 24 12.198 -2.526 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.186 -3.218 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.931 -3.797 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.957 0.241 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.830 -0.869 2.950 1.00 0.00 H new ATOM 349 N ASP A 25 12.734 -1.181 -0.501 1.00 0.00 N ATOM 350 CA ASP A 25 12.764 -0.476 -1.778 1.00 0.00 C ATOM 351 C ASP A 25 11.742 -1.063 -2.747 1.00 0.00 C ATOM 352 O ASP A 25 12.076 -1.411 -3.879 1.00 0.00 O ATOM 353 CB ASP A 25 14.164 -0.544 -2.389 1.00 0.00 C ATOM 354 CG ASP A 25 14.224 0.080 -3.770 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.700 1.201 -3.938 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.795 -0.553 -4.682 1.00 0.00 O ATOM 0 H ASP A 25 12.516 -0.591 0.302 1.00 0.00 H new ATOM 0 HA ASP A 25 12.506 0.567 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.869 -0.034 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.481 -1.585 -2.450 1.00 0.00 H new ATOM 361 N MET A 26 10.498 -1.170 -2.294 1.00 0.00 N ATOM 362 CA MET A 26 9.428 -1.714 -3.121 1.00 0.00 C ATOM 363 C MET A 26 8.247 -0.751 -3.186 1.00 0.00 C ATOM 364 O MET A 26 8.159 0.193 -2.400 1.00 0.00 O ATOM 365 CB MET A 26 8.968 -3.067 -2.574 1.00 0.00 C ATOM 366 CG MET A 26 9.741 -4.247 -3.141 1.00 0.00 C ATOM 367 SD MET A 26 9.067 -4.829 -4.709 1.00 0.00 S ATOM 368 CE MET A 26 7.546 -5.598 -4.158 1.00 0.00 C ATOM 0 H MET A 26 10.206 -0.887 -1.359 1.00 0.00 H new ATOM 0 HA MET A 26 9.818 -1.852 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.070 -3.064 -1.489 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.909 -3.198 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.783 -3.960 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.730 -5.064 -2.420 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.215 -6.323 -4.901 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.718 -6.104 -3.208 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.778 -4.835 -4.029 1.00 0.00 H new ATOM 378 N HIS A 27 7.341 -0.995 -4.128 1.00 0.00 N ATOM 379 CA HIS A 27 6.164 -0.149 -4.295 1.00 0.00 C ATOM 380 C HIS A 27 4.883 -0.961 -4.128 1.00 0.00 C ATOM 381 O HIS A 27 4.809 -2.116 -4.549 1.00 0.00 O ATOM 382 CB HIS A 27 6.183 0.520 -5.669 1.00 0.00 C ATOM 383 CG HIS A 27 7.130 1.677 -5.760 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.018 2.668 -6.712 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.208 1.999 -5.008 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.989 3.548 -6.544 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.725 3.166 -5.516 1.00 0.00 N ATOM 0 H HIS A 27 7.399 -1.771 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 27 6.187 0.621 -3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.455 -0.221 -6.421 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.177 0.865 -5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.591 1.442 -4.165 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.153 4.430 -7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.544 3.657 -5.158 1.00 0.00 H new ATOM 395 N CYS A 28 3.878 -0.350 -3.511 1.00 0.00 N ATOM 396 CA CYS A 28 2.600 -1.016 -3.287 1.00 0.00 C ATOM 397 C CYS A 28 1.496 0.001 -3.015 1.00 0.00 C ATOM 398 O CYS A 28 1.768 1.138 -2.631 1.00 0.00 O ATOM 399 CB CYS A 28 2.709 -1.993 -2.116 1.00 0.00 C ATOM 400 SG CYS A 28 3.683 -1.372 -0.725 1.00 0.00 S ATOM 0 H CYS A 28 3.923 0.605 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 28 2.344 -1.569 -4.190 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.706 -2.235 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.155 -2.922 -2.472 1.00 0.00 H new ATOM 0 HG CYS A 28 3.535 -0.084 -0.633 1.00 0.00 H new ATOM 406 N ALA A 29 0.251 -0.416 -3.219 1.00 0.00 N ATOM 407 CA ALA A 29 -0.893 0.458 -2.996 1.00 0.00 C ATOM 408 C ALA A 29 -1.474 0.258 -1.600 1.00 0.00 C ATOM 409 O ALA A 29 -1.739 -0.870 -1.184 1.00 0.00 O ATOM 410 CB ALA A 29 -1.959 0.213 -4.053 1.00 0.00 C ATOM 0 H ALA A 29 0.009 -1.354 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.550 1.490 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.808 0.873 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.545 0.415 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.289 -0.825 -4.003 1.00 0.00 H new ATOM 416 N VAL A 30 -1.668 1.358 -0.881 1.00 0.00 N ATOM 417 CA VAL A 30 -2.218 1.303 0.468 1.00 0.00 C ATOM 418 C VAL A 30 -3.550 2.040 0.550 1.00 0.00 C ATOM 419 O VAL A 30 -3.755 3.052 -0.121 1.00 0.00 O ATOM 420 CB VAL A 30 -1.244 1.910 1.496 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.914 3.349 1.133 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.829 1.825 2.898 1.00 0.00 C ATOM 0 H VAL A 30 -1.452 2.299 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.374 0.250 0.703 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.318 1.335 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.225 3.761 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.451 3.378 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.830 3.940 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.128 2.258 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.770 2.375 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.009 0.781 3.154 1.00 0.00 H new ATOM 432 N LYS A 31 -4.454 1.526 1.377 1.00 0.00 N ATOM 433 CA LYS A 31 -5.768 2.135 1.549 1.00 0.00 C ATOM 434 C LYS A 31 -5.854 2.875 2.879 1.00 0.00 C ATOM 435 O LYS A 31 -5.736 2.271 3.946 1.00 0.00 O ATOM 436 CB LYS A 31 -6.861 1.066 1.476 1.00 0.00 C ATOM 437 CG LYS A 31 -8.268 1.628 1.586 1.00 0.00 C ATOM 438 CD LYS A 31 -9.295 0.526 1.784 1.00 0.00 C ATOM 439 CE LYS A 31 -9.469 0.185 3.256 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.761 -0.508 3.516 1.00 0.00 N ATOM 0 H LYS A 31 -4.301 0.689 1.939 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.917 2.854 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.767 0.526 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.704 0.342 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.317 2.327 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.507 2.192 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.252 0.839 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.985 -0.364 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.645 -0.449 3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.421 1.099 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.842 -0.723 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.549 0.107 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.796 -1.393 2.971 1.00 0.00 H new ATOM 454 N ILE A 32 -6.061 4.186 2.809 1.00 0.00 N ATOM 455 CA ILE A 32 -6.165 5.008 4.009 1.00 0.00 C ATOM 456 C ILE A 32 -7.507 4.800 4.703 1.00 0.00 C ATOM 457 O ILE A 32 -8.540 4.662 4.048 1.00 0.00 O ATOM 458 CB ILE A 32 -5.995 6.503 3.683 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.636 6.753 3.026 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.140 7.340 4.945 1.00 0.00 C ATOM 461 CD1 ILE A 32 -4.570 8.048 2.247 1.00 0.00 C ATOM 0 H ILE A 32 -6.160 4.702 1.934 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.361 4.696 4.676 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.776 6.798 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.865 6.762 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.407 5.924 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.017 8.395 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.129 7.181 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.378 7.045 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.578 8.159 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.317 8.034 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.767 8.886 2.916 1.00 0.00 H new ATOM 473 N GLN A 33 -7.484 4.781 6.031 1.00 0.00 N ATOM 474 CA GLN A 33 -8.699 4.591 6.814 1.00 0.00 C ATOM 475 C GLN A 33 -9.483 5.894 6.926 1.00 0.00 C ATOM 476 O GLN A 33 -10.667 5.948 6.592 1.00 0.00 O ATOM 477 CB GLN A 33 -8.356 4.066 8.209 1.00 0.00 C ATOM 478 CG GLN A 33 -7.470 5.006 9.011 1.00 0.00 C ATOM 479 CD GLN A 33 -6.782 4.312 10.171 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.250 4.368 11.308 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.665 3.652 9.888 1.00 0.00 N ATOM 0 H GLN A 33 -6.637 4.895 6.588 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.321 3.857 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.280 3.892 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.856 3.102 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.717 5.439 8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.072 5.831 9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.313 3.632 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.159 3.165 10.628 1.00 0.00 H new ATOM 490 N ASP A 34 -8.816 6.941 7.398 1.00 0.00 N ATOM 491 CA ASP A 34 -9.450 8.245 7.554 1.00 0.00 C ATOM 492 C ASP A 34 -10.030 8.729 6.228 1.00 0.00 C ATOM 493 O ASP A 34 -11.098 9.339 6.191 1.00 0.00 O ATOM 494 CB ASP A 34 -8.444 9.265 8.088 1.00 0.00 C ATOM 495 CG ASP A 34 -8.197 9.111 9.576 1.00 0.00 C ATOM 496 OD1 ASP A 34 -8.121 7.957 10.048 1.00 0.00 O ATOM 497 OD2 ASP A 34 -8.081 10.144 10.269 1.00 0.00 O ATOM 0 H ASP A 34 -7.836 6.912 7.679 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.265 8.142 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.501 9.155 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.810 10.272 7.886 1.00 0.00 H new ATOM 502 N LYS A 35 -9.316 8.455 5.141 1.00 0.00 N ATOM 503 CA LYS A 35 -9.758 8.862 3.813 1.00 0.00 C ATOM 504 C LYS A 35 -10.298 7.669 3.030 1.00 0.00 C ATOM 505 O LYS A 35 -10.171 6.524 3.461 1.00 0.00 O ATOM 506 CB LYS A 35 -8.603 9.509 3.045 1.00 0.00 C ATOM 507 CG LYS A 35 -7.917 10.629 3.808 1.00 0.00 C ATOM 508 CD LYS A 35 -8.564 11.975 3.525 1.00 0.00 C ATOM 509 CE LYS A 35 -9.778 12.207 4.412 1.00 0.00 C ATOM 510 NZ LYS A 35 -10.078 13.657 4.571 1.00 0.00 N ATOM 0 H LYS A 35 -8.428 7.953 5.154 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.561 9.590 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.867 8.744 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.980 9.902 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.960 10.421 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.863 10.666 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.837 12.771 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.862 12.024 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.643 11.702 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.603 11.763 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.912 13.774 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.262 14.135 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.270 14.076 3.639 1.00 0.00 H new ATOM 524 N ASN A 36 -10.898 7.947 1.877 1.00 0.00 N ATOM 525 CA ASN A 36 -11.456 6.896 1.034 1.00 0.00 C ATOM 526 C ASN A 36 -10.760 6.861 -0.324 1.00 0.00 C ATOM 527 O ASN A 36 -11.400 6.652 -1.354 1.00 0.00 O ATOM 528 CB ASN A 36 -12.959 7.110 0.843 1.00 0.00 C ATOM 529 CG ASN A 36 -13.775 6.524 1.979 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.779 7.052 3.092 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.471 5.427 1.704 1.00 0.00 N ATOM 0 H ASN A 36 -11.010 8.890 1.505 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.292 5.940 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.164 8.178 0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.271 6.656 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.038 4.988 2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.438 5.024 0.768 1.00 0.00 H new ATOM 538 N GLN A 37 -9.447 7.066 -0.315 1.00 0.00 N ATOM 539 CA GLN A 37 -8.665 7.058 -1.545 1.00 0.00 C ATOM 540 C GLN A 37 -7.572 5.996 -1.488 1.00 0.00 C ATOM 541 O GLN A 37 -7.482 5.235 -0.525 1.00 0.00 O ATOM 542 CB GLN A 37 -8.043 8.434 -1.788 1.00 0.00 C ATOM 543 CG GLN A 37 -7.090 8.874 -0.688 1.00 0.00 C ATOM 544 CD GLN A 37 -6.036 9.845 -1.183 1.00 0.00 C ATOM 545 OE1 GLN A 37 -6.132 11.052 -0.956 1.00 0.00 O ATOM 546 NE2 GLN A 37 -5.023 9.324 -1.864 1.00 0.00 N ATOM 0 H GLN A 37 -8.903 7.240 0.530 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.336 6.819 -2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.507 8.419 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.840 9.172 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.660 9.341 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.600 7.997 -0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.983 8.318 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.284 9.929 -2.222 1.00 0.00 H new ATOM 555 N TRP A 38 -6.744 5.950 -2.526 1.00 0.00 N ATOM 556 CA TRP A 38 -5.656 4.980 -2.593 1.00 0.00 C ATOM 557 C TRP A 38 -4.370 5.638 -3.079 1.00 0.00 C ATOM 558 O TRP A 38 -4.345 6.269 -4.137 1.00 0.00 O ATOM 559 CB TRP A 38 -6.034 3.824 -3.520 1.00 0.00 C ATOM 560 CG TRP A 38 -6.993 2.853 -2.899 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.331 3.037 -2.700 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.685 1.549 -2.394 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.875 1.926 -2.102 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.886 0.999 -1.905 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.514 0.792 -2.310 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.945 -0.272 -1.339 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.574 -0.469 -1.748 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.783 -0.991 -1.269 1.00 0.00 C ATOM 0 H TRP A 38 -6.805 6.572 -3.332 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.486 4.591 -1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.476 4.228 -4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.129 3.292 -3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.881 3.925 -2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.856 1.810 -1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.578 1.185 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.875 -0.676 -0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.674 -1.062 -1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.798 -1.980 -0.836 1.00 0.00 H new ATOM 579 N ARG A 39 -3.303 5.487 -2.302 1.00 0.00 N ATOM 580 CA ARG A 39 -2.013 6.068 -2.654 1.00 0.00 C ATOM 581 C ARG A 39 -0.889 5.054 -2.461 1.00 0.00 C ATOM 582 O ARG A 39 -0.788 4.417 -1.412 1.00 0.00 O ATOM 583 CB ARG A 39 -1.742 7.313 -1.806 1.00 0.00 C ATOM 584 CG ARG A 39 -1.975 7.100 -0.320 1.00 0.00 C ATOM 585 CD ARG A 39 -1.676 8.361 0.477 1.00 0.00 C ATOM 586 NE ARG A 39 -2.612 9.439 0.167 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.878 10.442 0.995 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.281 10.506 2.178 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.741 11.386 0.641 1.00 0.00 N ATOM 0 H ARG A 39 -3.306 4.967 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.046 6.353 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.711 7.631 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.382 8.125 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.009 6.799 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.344 6.285 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.722 8.136 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.659 8.691 0.265 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.087 9.420 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.616 9.783 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.487 11.278 2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.201 11.341 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.944 12.156 1.278 1.00 0.00 H new ATOM 603 N ARG A 40 -0.047 4.911 -3.479 1.00 0.00 N ATOM 604 CA ARG A 40 1.068 3.973 -3.422 1.00 0.00 C ATOM 605 C ARG A 40 2.181 4.506 -2.525 1.00 0.00 C ATOM 606 O ARG A 40 2.331 5.715 -2.357 1.00 0.00 O ATOM 607 CB ARG A 40 1.613 3.710 -4.827 1.00 0.00 C ATOM 608 CG ARG A 40 2.361 4.892 -5.421 1.00 0.00 C ATOM 609 CD ARG A 40 1.429 5.806 -6.202 1.00 0.00 C ATOM 610 NE ARG A 40 2.141 6.577 -7.217 1.00 0.00 N ATOM 611 CZ ARG A 40 1.535 7.342 -8.118 1.00 0.00 C ATOM 612 NH1 ARG A 40 0.213 7.439 -8.129 1.00 0.00 N ATOM 613 NH2 ARG A 40 2.253 8.013 -9.010 1.00 0.00 N ATOM 0 H ARG A 40 -0.115 5.432 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 40 0.702 3.037 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.280 2.849 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.785 3.447 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.842 5.457 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.152 4.530 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.652 5.209 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.929 6.488 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 40 3.160 6.525 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.342 6.925 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.249 8.027 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.270 7.941 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.787 8.600 -9.702 1.00 0.00 H new ATOM 627 N GLY A 41 2.959 3.594 -1.950 1.00 0.00 N ATOM 628 CA GLY A 41 4.047 3.991 -1.076 1.00 0.00 C ATOM 629 C GLY A 41 5.326 3.226 -1.358 1.00 0.00 C ATOM 630 O GLY A 41 5.354 2.352 -2.223 1.00 0.00 O ATOM 0 H GLY A 41 2.855 2.587 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.232 5.059 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.753 3.831 -0.039 1.00 0.00 H new ATOM 634 N GLN A 42 6.385 3.558 -0.627 1.00 0.00 N ATOM 635 CA GLN A 42 7.673 2.897 -0.806 1.00 0.00 C ATOM 636 C GLN A 42 8.069 2.129 0.451 1.00 0.00 C ATOM 637 O GLN A 42 8.293 2.721 1.507 1.00 0.00 O ATOM 638 CB GLN A 42 8.753 3.924 -1.152 1.00 0.00 C ATOM 639 CG GLN A 42 10.119 3.308 -1.403 1.00 0.00 C ATOM 640 CD GLN A 42 11.234 4.335 -1.392 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.012 5.505 -1.077 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.441 3.904 -1.738 1.00 0.00 N ATOM 0 H GLN A 42 6.377 4.280 0.094 1.00 0.00 H new ATOM 0 HA GLN A 42 7.579 2.188 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.445 4.478 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.832 4.644 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.318 2.553 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.111 2.796 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.580 2.926 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.229 4.551 -1.750 1.00 0.00 H new ATOM 651 N ILE A 43 8.154 0.809 0.329 1.00 0.00 N ATOM 652 CA ILE A 43 8.524 -0.039 1.455 1.00 0.00 C ATOM 653 C ILE A 43 9.787 0.474 2.138 1.00 0.00 C ATOM 654 O ILE A 43 10.899 0.080 1.786 1.00 0.00 O ATOM 655 CB ILE A 43 8.750 -1.497 1.011 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.462 -2.081 0.429 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.238 -2.337 2.182 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.356 -2.243 1.449 1.00 0.00 C ATOM 0 H ILE A 43 7.972 0.304 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 43 7.694 -0.007 2.161 1.00 0.00 H new ATOM 0 HB ILE A 43 9.515 -1.511 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.111 -1.435 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.681 -3.052 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.393 -3.365 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.178 -1.930 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.493 -2.319 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.474 -2.662 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.688 -2.913 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.109 -1.271 1.875 1.00 0.00 H new ATOM 670 N ILE A 44 9.607 1.353 3.118 1.00 0.00 N ATOM 671 CA ILE A 44 10.732 1.918 3.853 1.00 0.00 C ATOM 672 C ILE A 44 11.456 0.845 4.660 1.00 0.00 C ATOM 673 O ILE A 44 12.591 0.482 4.352 1.00 0.00 O ATOM 674 CB ILE A 44 10.277 3.040 4.804 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.724 4.223 4.006 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.431 3.485 5.689 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.285 5.383 4.870 1.00 0.00 C ATOM 0 H ILE A 44 8.693 1.689 3.421 1.00 0.00 H new ATOM 0 HA ILE A 44 11.415 2.335 3.113 1.00 0.00 H new ATOM 0 HB ILE A 44 9.483 2.654 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.487 4.569 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.877 3.884 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.093 4.279 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.783 2.640 6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.245 3.856 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.905 6.185 4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.499 5.053 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.134 5.749 5.447 1.00 0.00 H new ATOM 689 N ARG A 45 10.790 0.340 5.694 1.00 0.00 N ATOM 690 CA ARG A 45 11.369 -0.692 6.545 1.00 0.00 C ATOM 691 C ARG A 45 10.277 -1.518 7.217 1.00 0.00 C ATOM 692 O ARG A 45 9.400 -0.977 7.889 1.00 0.00 O ATOM 693 CB ARG A 45 12.272 -0.060 7.606 1.00 0.00 C ATOM 694 CG ARG A 45 11.531 0.353 8.868 1.00 0.00 C ATOM 695 CD ARG A 45 12.332 1.358 9.681 1.00 0.00 C ATOM 696 NE ARG A 45 13.235 0.704 10.624 1.00 0.00 N ATOM 697 CZ ARG A 45 14.170 1.348 11.313 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.325 2.656 11.165 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.953 0.683 12.153 1.00 0.00 N ATOM 0 H ARG A 45 9.849 0.629 5.962 1.00 0.00 H new ATOM 0 HA ARG A 45 11.966 -1.353 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.057 -0.768 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.762 0.815 7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.567 0.786 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.327 -0.528 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.909 1.992 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.649 2.010 10.226 1.00 0.00 H new ATOM 0 HE ARG A 45 13.143 -0.303 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.725 3.171 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.044 3.148 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.837 -0.324 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.671 1.178 12.682 1.00 0.00 H new ATOM 713 N MET A 46 10.337 -2.833 7.029 1.00 0.00 N ATOM 714 CA MET A 46 9.353 -3.734 7.618 1.00 0.00 C ATOM 715 C MET A 46 9.485 -3.765 9.138 1.00 0.00 C ATOM 716 O MET A 46 10.519 -4.165 9.673 1.00 0.00 O ATOM 717 CB MET A 46 9.519 -5.145 7.052 1.00 0.00 C ATOM 718 CG MET A 46 8.763 -5.371 5.752 1.00 0.00 C ATOM 719 SD MET A 46 8.390 -7.111 5.459 1.00 0.00 S ATOM 720 CE MET A 46 6.813 -7.264 6.295 1.00 0.00 C ATOM 0 H MET A 46 11.056 -3.297 6.474 1.00 0.00 H new ATOM 0 HA MET A 46 8.360 -3.363 7.364 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.579 -5.338 6.885 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.176 -5.867 7.793 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.833 -4.803 5.773 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.353 -4.985 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.651 -8.304 6.579 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.813 -6.639 7.188 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.014 -6.942 5.627 1.00 0.00 H new ATOM 730 N VAL A 47 8.431 -3.340 9.827 1.00 0.00 N ATOM 731 CA VAL A 47 8.429 -3.320 11.285 1.00 0.00 C ATOM 732 C VAL A 47 8.175 -4.711 11.854 1.00 0.00 C ATOM 733 O VAL A 47 9.022 -5.275 12.548 1.00 0.00 O ATOM 734 CB VAL A 47 7.364 -2.351 11.832 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.472 -2.236 13.345 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.498 -0.986 11.174 1.00 0.00 C ATOM 0 H VAL A 47 7.568 -3.005 9.399 1.00 0.00 H new ATOM 0 HA VAL A 47 9.416 -2.978 11.598 1.00 0.00 H new ATOM 0 HB VAL A 47 6.378 -2.749 11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.712 -1.547 13.713 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.322 -3.217 13.796 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.460 -1.861 13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.738 -0.314 11.572 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.487 -0.578 11.381 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.365 -1.087 10.097 1.00 0.00 H new ATOM 746 N THR A 48 7.002 -5.262 11.555 1.00 0.00 N ATOM 747 CA THR A 48 6.635 -6.587 12.036 1.00 0.00 C ATOM 748 C THR A 48 6.036 -7.432 10.918 1.00 0.00 C ATOM 749 O THR A 48 5.989 -7.007 9.763 1.00 0.00 O ATOM 750 CB THR A 48 5.627 -6.504 13.198 1.00 0.00 C ATOM 751 OG1 THR A 48 4.370 -6.013 12.721 1.00 0.00 O ATOM 752 CG2 THR A 48 6.147 -5.595 14.301 1.00 0.00 C ATOM 0 H THR A 48 6.290 -4.810 10.981 1.00 0.00 H new ATOM 0 HA THR A 48 7.551 -7.058 12.392 1.00 0.00 H new ATOM 0 HB THR A 48 5.494 -7.505 13.607 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.662 -6.257 13.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.418 -5.552 15.111 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.090 -5.988 14.682 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.306 -4.593 13.902 1.00 0.00 H new ATOM 760 N ASP A 49 5.577 -8.629 11.267 1.00 0.00 N ATOM 761 CA ASP A 49 4.978 -9.533 10.292 1.00 0.00 C ATOM 762 C ASP A 49 3.603 -9.034 9.861 1.00 0.00 C ATOM 763 O ASP A 49 3.006 -9.558 8.920 1.00 0.00 O ATOM 764 CB ASP A 49 4.864 -10.942 10.875 1.00 0.00 C ATOM 765 CG ASP A 49 6.173 -11.704 10.810 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.515 -12.204 9.718 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.855 -11.799 11.852 1.00 0.00 O ATOM 0 H ASP A 49 5.608 -8.996 12.218 1.00 0.00 H new ATOM 0 HA ASP A 49 5.624 -9.562 9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.536 -10.877 11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.098 -11.495 10.332 1.00 0.00 H new ATOM 772 N THR A 50 3.103 -8.017 10.557 1.00 0.00 N ATOM 773 CA THR A 50 1.797 -7.448 10.249 1.00 0.00 C ATOM 774 C THR A 50 1.893 -5.944 10.019 1.00 0.00 C ATOM 775 O THR A 50 0.921 -5.304 9.616 1.00 0.00 O ATOM 776 CB THR A 50 0.785 -7.720 11.378 1.00 0.00 C ATOM 777 OG1 THR A 50 1.346 -7.342 12.640 1.00 0.00 O ATOM 778 CG2 THR A 50 0.393 -9.190 11.411 1.00 0.00 C ATOM 0 H THR A 50 3.584 -7.571 11.338 1.00 0.00 H new ATOM 0 HA THR A 50 1.449 -7.931 9.336 1.00 0.00 H new ATOM 0 HB THR A 50 -0.109 -7.126 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.696 -7.516 13.352 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.322 -9.358 12.216 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.060 -9.467 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.280 -9.799 11.581 1.00 0.00 H new ATOM 786 N LEU A 51 3.070 -5.385 10.277 1.00 0.00 N ATOM 787 CA LEU A 51 3.293 -3.954 10.098 1.00 0.00 C ATOM 788 C LEU A 51 4.447 -3.700 9.132 1.00 0.00 C ATOM 789 O LEU A 51 5.367 -4.510 9.021 1.00 0.00 O ATOM 790 CB LEU A 51 3.585 -3.291 11.445 1.00 0.00 C ATOM 791 CG LEU A 51 2.545 -3.516 12.543 1.00 0.00 C ATOM 792 CD1 LEU A 51 3.036 -2.952 13.867 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.215 -2.887 12.154 1.00 0.00 C ATOM 0 H LEU A 51 3.885 -5.900 10.611 1.00 0.00 H new ATOM 0 HA LEU A 51 2.387 -3.520 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.548 -3.654 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.688 -2.218 11.284 1.00 0.00 H new ATOM 0 HG LEU A 51 2.396 -4.589 12.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.283 -3.121 14.636 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.964 -3.448 14.152 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.214 -1.882 13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.487 -3.057 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.348 -1.815 12.007 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.856 -3.338 11.229 1.00 0.00 H new ATOM 805 N VAL A 52 4.391 -2.568 8.437 1.00 0.00 N ATOM 806 CA VAL A 52 5.433 -2.205 7.484 1.00 0.00 C ATOM 807 C VAL A 52 5.491 -0.695 7.283 1.00 0.00 C ATOM 808 O VAL A 52 4.470 -0.051 7.045 1.00 0.00 O ATOM 809 CB VAL A 52 5.207 -2.885 6.120 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.163 -2.324 5.079 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.367 -4.393 6.245 1.00 0.00 C ATOM 0 H VAL A 52 3.636 -1.887 8.516 1.00 0.00 H new ATOM 0 HA VAL A 52 6.379 -2.550 7.902 1.00 0.00 H new ATOM 0 HB VAL A 52 4.189 -2.676 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.989 -2.816 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.996 -1.252 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.191 -2.501 5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.204 -4.858 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.373 -4.624 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.638 -4.778 6.958 1.00 0.00 H new ATOM 821 N GLU A 53 6.694 -0.137 7.379 1.00 0.00 N ATOM 822 CA GLU A 53 6.885 1.298 7.208 1.00 0.00 C ATOM 823 C GLU A 53 7.021 1.657 5.731 1.00 0.00 C ATOM 824 O GLU A 53 7.917 1.170 5.042 1.00 0.00 O ATOM 825 CB GLU A 53 8.125 1.765 7.973 1.00 0.00 C ATOM 826 CG GLU A 53 8.059 3.218 8.412 1.00 0.00 C ATOM 827 CD GLU A 53 9.161 3.584 9.387 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.192 3.004 10.492 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.992 4.451 9.044 1.00 0.00 O ATOM 0 H GLU A 53 7.550 -0.657 7.574 1.00 0.00 H new ATOM 0 HA GLU A 53 6.007 1.805 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.258 1.134 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.004 1.624 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.126 3.862 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.091 3.410 8.875 1.00 0.00 H new ATOM 836 N VAL A 54 6.123 2.511 5.250 1.00 0.00 N ATOM 837 CA VAL A 54 6.141 2.936 3.856 1.00 0.00 C ATOM 838 C VAL A 54 6.257 4.452 3.744 1.00 0.00 C ATOM 839 O VAL A 54 5.968 5.179 4.696 1.00 0.00 O ATOM 840 CB VAL A 54 4.875 2.473 3.111 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.970 0.994 2.766 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.634 2.756 3.944 1.00 0.00 C ATOM 0 H VAL A 54 5.373 2.922 5.806 1.00 0.00 H new ATOM 0 HA VAL A 54 7.014 2.473 3.396 1.00 0.00 H new ATOM 0 HB VAL A 54 4.796 3.034 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.067 0.684 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.838 0.824 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.074 0.413 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.749 2.423 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.702 2.222 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.561 3.827 4.135 1.00 0.00 H new ATOM 852 N LEU A 55 6.680 4.924 2.577 1.00 0.00 N ATOM 853 CA LEU A 55 6.833 6.355 2.340 1.00 0.00 C ATOM 854 C LEU A 55 5.941 6.815 1.192 1.00 0.00 C ATOM 855 O LEU A 55 6.068 6.339 0.063 1.00 0.00 O ATOM 856 CB LEU A 55 8.294 6.687 2.030 1.00 0.00 C ATOM 857 CG LEU A 55 8.537 7.969 1.233 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.012 9.177 1.993 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.018 8.133 0.924 1.00 0.00 C ATOM 0 H LEU A 55 6.923 4.336 1.780 1.00 0.00 H new ATOM 0 HA LEU A 55 6.531 6.883 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.837 6.761 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.726 5.852 1.478 1.00 0.00 H new ATOM 0 HG LEU A 55 7.996 7.896 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.194 10.080 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.941 9.063 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.524 9.254 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.172 9.051 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.581 8.184 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.364 7.282 0.338 1.00 0.00 H new ATOM 871 N LEU A 56 5.040 7.746 1.486 1.00 0.00 N ATOM 872 CA LEU A 56 4.127 8.273 0.478 1.00 0.00 C ATOM 873 C LEU A 56 4.839 9.266 -0.435 1.00 0.00 C ATOM 874 O LEU A 56 4.334 10.358 -0.696 1.00 0.00 O ATOM 875 CB LEU A 56 2.930 8.949 1.150 1.00 0.00 C ATOM 876 CG LEU A 56 2.209 8.129 2.219 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.011 8.893 2.761 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.775 6.783 1.657 1.00 0.00 C ATOM 0 H LEU A 56 4.922 8.152 2.414 1.00 0.00 H new ATOM 0 HA LEU A 56 3.773 7.439 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.271 9.880 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.209 9.216 0.378 1.00 0.00 H new ATOM 0 HG LEU A 56 2.902 7.951 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.510 8.293 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.347 9.831 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.316 9.103 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.263 6.213 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.099 6.941 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.651 6.230 1.319 1.00 0.00 H new ATOM 890 N TYR A 57 6.013 8.878 -0.920 1.00 0.00 N ATOM 891 CA TYR A 57 6.795 9.733 -1.805 1.00 0.00 C ATOM 892 C TYR A 57 5.886 10.535 -2.731 1.00 0.00 C ATOM 893 O TYR A 57 6.182 11.681 -3.070 1.00 0.00 O ATOM 894 CB TYR A 57 7.770 8.892 -2.632 1.00 0.00 C ATOM 895 CG TYR A 57 7.106 7.758 -3.380 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.462 7.980 -4.590 1.00 0.00 C ATOM 897 CD2 TYR A 57 7.125 6.463 -2.876 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.854 6.947 -5.277 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.521 5.423 -3.556 1.00 0.00 C ATOM 900 CZ TYR A 57 5.887 5.670 -4.756 1.00 0.00 C ATOM 901 OH TYR A 57 5.283 4.638 -5.437 1.00 0.00 O ATOM 0 H TYR A 57 6.444 7.977 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 57 7.361 10.430 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.279 9.539 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.534 8.482 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.436 8.978 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.620 6.266 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.356 7.138 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.545 4.422 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 57 5.776 3.807 -5.275 1.00 0.00 H new ATOM 911 N ASP A 58 4.778 9.925 -3.135 1.00 0.00 N ATOM 912 CA ASP A 58 3.822 10.581 -4.020 1.00 0.00 C ATOM 913 C ASP A 58 3.413 11.942 -3.465 1.00 0.00 C ATOM 914 O ASP A 58 3.444 12.948 -4.173 1.00 0.00 O ATOM 915 CB ASP A 58 2.586 9.702 -4.213 1.00 0.00 C ATOM 916 CG ASP A 58 1.419 10.467 -4.806 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.653 11.308 -5.698 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.271 10.224 -4.377 1.00 0.00 O ATOM 0 H ASP A 58 4.519 8.976 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 58 4.304 10.733 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.837 8.865 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.290 9.280 -3.252 1.00 0.00 H new ATOM 923 N VAL A 59 3.029 11.965 -2.193 1.00 0.00 N ATOM 924 CA VAL A 59 2.613 13.201 -1.542 1.00 0.00 C ATOM 925 C VAL A 59 3.755 13.809 -0.735 1.00 0.00 C ATOM 926 O VAL A 59 3.991 15.015 -0.784 1.00 0.00 O ATOM 927 CB VAL A 59 1.409 12.968 -0.610 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.214 12.456 -1.400 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.777 11.999 0.503 1.00 0.00 C ATOM 0 H VAL A 59 2.997 11.141 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 59 2.322 13.892 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 59 1.133 13.920 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.627 12.297 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.062 13.189 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.474 11.514 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.915 11.846 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.079 11.045 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.601 12.410 1.086 1.00 0.00 H new ATOM 939 N GLY A 60 4.463 12.963 0.008 1.00 0.00 N ATOM 940 CA GLY A 60 5.573 13.435 0.814 1.00 0.00 C ATOM 941 C GLY A 60 5.311 13.294 2.301 1.00 0.00 C ATOM 942 O GLY A 60 5.532 14.230 3.069 1.00 0.00 O ATOM 0 H GLY A 60 4.287 11.960 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.472 12.877 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.769 14.482 0.580 1.00 0.00 H new ATOM 946 N VAL A 61 4.836 12.121 2.707 1.00 0.00 N ATOM 947 CA VAL A 61 4.542 11.860 4.112 1.00 0.00 C ATOM 948 C VAL A 61 5.027 10.476 4.527 1.00 0.00 C ATOM 949 O VAL A 61 4.687 9.475 3.897 1.00 0.00 O ATOM 950 CB VAL A 61 3.033 11.972 4.399 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.708 11.402 5.771 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.577 13.419 4.292 1.00 0.00 C ATOM 0 H VAL A 61 4.646 11.336 2.084 1.00 0.00 H new ATOM 0 HA VAL A 61 5.071 12.616 4.692 1.00 0.00 H new ATOM 0 HB VAL A 61 2.494 11.389 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.638 11.489 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.998 10.352 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.255 11.956 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.508 13.480 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.121 14.026 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.774 13.789 3.286 1.00 0.00 H new ATOM 962 N GLU A 62 5.822 10.427 5.591 1.00 0.00 N ATOM 963 CA GLU A 62 6.353 9.164 6.090 1.00 0.00 C ATOM 964 C GLU A 62 5.426 8.562 7.142 1.00 0.00 C ATOM 965 O GLU A 62 5.176 9.167 8.185 1.00 0.00 O ATOM 966 CB GLU A 62 7.749 9.371 6.682 1.00 0.00 C ATOM 967 CG GLU A 62 8.727 10.027 5.722 1.00 0.00 C ATOM 968 CD GLU A 62 9.795 10.832 6.436 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.610 10.225 7.162 1.00 0.00 O ATOM 970 OE2 GLU A 62 9.815 12.069 6.269 1.00 0.00 O ATOM 0 H GLU A 62 6.112 11.247 6.124 1.00 0.00 H new ATOM 0 HA GLU A 62 6.421 8.471 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.667 9.985 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.150 8.406 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.203 9.259 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.180 10.679 5.042 1.00 0.00 H new ATOM 977 N LEU A 63 4.919 7.367 6.860 1.00 0.00 N ATOM 978 CA LEU A 63 4.019 6.681 7.780 1.00 0.00 C ATOM 979 C LEU A 63 4.141 5.167 7.635 1.00 0.00 C ATOM 980 O LEU A 63 4.846 4.672 6.756 1.00 0.00 O ATOM 981 CB LEU A 63 2.574 7.113 7.528 1.00 0.00 C ATOM 982 CG LEU A 63 1.770 6.241 6.563 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.325 6.709 6.497 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.402 6.258 5.178 1.00 0.00 C ATOM 0 H LEU A 63 5.116 6.853 6.001 1.00 0.00 H new ATOM 0 HA LEU A 63 4.302 6.954 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.052 7.138 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.583 8.133 7.143 1.00 0.00 H new ATOM 0 HG LEU A 63 1.781 5.216 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.231 6.076 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.124 6.645 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.293 7.742 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.817 5.632 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.422 7.280 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.420 5.874 5.238 1.00 0.00 H new ATOM 996 N VAL A 64 3.448 4.437 8.503 1.00 0.00 N ATOM 997 CA VAL A 64 3.477 2.979 8.470 1.00 0.00 C ATOM 998 C VAL A 64 2.067 2.401 8.515 1.00 0.00 C ATOM 999 O VAL A 64 1.293 2.694 9.427 1.00 0.00 O ATOM 1000 CB VAL A 64 4.292 2.407 9.645 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.802 2.982 10.965 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.217 0.888 9.655 1.00 0.00 C ATOM 0 H VAL A 64 2.860 4.831 9.237 1.00 0.00 H new ATOM 0 HA VAL A 64 3.955 2.693 7.533 1.00 0.00 H new ATOM 0 HB VAL A 64 5.335 2.696 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.390 2.566 11.783 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.913 4.066 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.752 2.726 11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.798 0.501 10.492 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.178 0.576 9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.621 0.498 8.721 1.00 0.00 H new ATOM 1012 N VAL A 65 1.739 1.578 7.524 1.00 0.00 N ATOM 1013 CA VAL A 65 0.422 0.957 7.450 1.00 0.00 C ATOM 1014 C VAL A 65 0.513 -0.550 7.661 1.00 0.00 C ATOM 1015 O VAL A 65 1.603 -1.120 7.677 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.255 1.235 6.095 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.231 2.723 5.782 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.420 0.438 4.989 1.00 0.00 C ATOM 0 H VAL A 65 2.367 1.326 6.761 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.180 1.397 8.245 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.296 0.918 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.714 2.900 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.764 3.267 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.802 3.069 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.071 0.647 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.470 0.722 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.345 -0.627 5.210 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.641 -1.191 7.821 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.692 -2.633 8.031 1.00 0.00 C ATOM 1030 C ASN A 66 -0.643 -3.378 6.701 1.00 0.00 C ATOM 1031 O ASN A 66 -1.335 -3.017 5.749 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.961 -3.014 8.795 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.769 -4.245 9.659 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.239 -4.164 10.767 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.200 -5.395 9.153 1.00 0.00 N ATOM 0 H ASN A 66 -1.553 -0.734 7.809 1.00 0.00 H new ATOM 0 HA ASN A 66 0.179 -2.920 8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.269 -2.178 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.769 -3.194 8.085 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.097 -6.258 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.634 -5.415 8.230 1.00 0.00 H new ATOM 1042 N VAL A 67 0.180 -4.421 6.642 1.00 0.00 N ATOM 1043 CA VAL A 67 0.318 -5.218 5.430 1.00 0.00 C ATOM 1044 C VAL A 67 -1.045 -5.573 4.846 1.00 0.00 C ATOM 1045 O VAL A 67 -1.159 -5.904 3.666 1.00 0.00 O ATOM 1046 CB VAL A 67 1.103 -6.516 5.699 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.554 -6.205 6.031 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.449 -7.311 6.819 1.00 0.00 C ATOM 0 H VAL A 67 0.761 -4.733 7.420 1.00 0.00 H new ATOM 0 HA VAL A 67 0.869 -4.610 4.713 1.00 0.00 H new ATOM 0 HB VAL A 67 1.086 -7.124 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.092 -7.135 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.015 -5.681 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.597 -5.576 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.016 -8.225 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.433 -6.712 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.572 -7.567 6.535 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.076 -5.501 5.681 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.433 -5.812 5.248 1.00 0.00 C ATOM 1060 C ASP A 68 -3.908 -4.820 4.190 1.00 0.00 C ATOM 1061 O ASP A 68 -4.585 -5.195 3.232 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.388 -5.799 6.442 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.394 -7.116 7.193 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -4.615 -8.164 6.551 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -4.179 -7.099 8.424 1.00 0.00 O ATOM 0 H ASP A 68 -1.998 -5.230 6.661 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.427 -6.809 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.103 -4.997 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.397 -5.578 6.094 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.549 -3.554 4.372 1.00 0.00 N ATOM 1071 CA CYS A 69 -3.940 -2.507 3.434 1.00 0.00 C ATOM 1072 C CYS A 69 -2.997 -2.472 2.235 1.00 0.00 C ATOM 1073 O CYS A 69 -3.370 -2.017 1.153 1.00 0.00 O ATOM 1074 CB CYS A 69 -3.949 -1.146 4.132 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.462 -0.802 5.059 1.00 0.00 S ATOM 0 H CYS A 69 -2.989 -3.228 5.159 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.945 -2.730 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.099 -1.093 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.808 -0.365 3.384 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.839 0.422 4.836 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.775 -2.952 2.436 1.00 0.00 N ATOM 1082 CA LEU A 70 -0.777 -2.974 1.372 1.00 0.00 C ATOM 1083 C LEU A 70 -1.214 -3.893 0.235 1.00 0.00 C ATOM 1084 O LEU A 70 -1.713 -4.993 0.470 1.00 0.00 O ATOM 1085 CB LEU A 70 0.574 -3.431 1.922 1.00 0.00 C ATOM 1086 CG LEU A 70 1.300 -2.438 2.831 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.659 -2.984 3.241 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.452 -1.093 2.137 1.00 0.00 C ATOM 0 H LEU A 70 -1.451 -3.331 3.326 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.678 -1.962 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.423 -4.357 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.226 -3.666 1.080 1.00 0.00 H new ATOM 0 HG LEU A 70 0.702 -2.295 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.161 -2.264 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.527 -3.923 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.265 -3.157 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.971 -0.399 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.028 -1.220 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.467 -0.695 1.894 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.020 -3.434 -0.997 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.392 -4.215 -2.170 1.00 0.00 C ATOM 1102 C ARG A 71 -0.295 -4.163 -3.229 1.00 0.00 C ATOM 1103 O ARG A 71 0.466 -3.198 -3.303 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.707 -3.698 -2.757 1.00 0.00 C ATOM 1105 CG ARG A 71 -3.896 -3.858 -1.824 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.459 -5.270 -1.876 1.00 0.00 C ATOM 1107 NE ARG A 71 -5.197 -5.610 -0.662 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.418 -5.162 -0.395 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -7.036 -4.360 -1.251 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -7.025 -5.516 0.731 1.00 0.00 N ATOM 0 H ARG A 71 -0.607 -2.525 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.523 -5.251 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.593 -2.644 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.912 -4.227 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.593 -3.623 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.673 -3.145 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.117 -5.366 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.644 -5.980 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.750 -6.225 0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.573 -4.085 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.974 -4.018 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.553 -6.133 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.963 -5.171 0.935 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.219 -5.208 -4.047 1.00 0.00 N ATOM 1125 CA LYS A 72 0.785 -5.282 -5.102 1.00 0.00 C ATOM 1126 C LYS A 72 0.470 -4.297 -6.223 1.00 0.00 C ATOM 1127 O LYS A 72 -0.583 -4.377 -6.857 1.00 0.00 O ATOM 1128 CB LYS A 72 0.858 -6.704 -5.665 1.00 0.00 C ATOM 1129 CG LYS A 72 1.417 -7.719 -4.683 1.00 0.00 C ATOM 1130 CD LYS A 72 2.936 -7.747 -4.716 1.00 0.00 C ATOM 1131 CE LYS A 72 3.453 -8.573 -5.884 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.146 -10.020 -5.719 1.00 0.00 N ATOM 0 H LYS A 72 -0.841 -6.015 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 72 1.750 -5.018 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.141 -7.017 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.477 -6.699 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.078 -7.477 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.028 -8.709 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.318 -6.729 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.314 -8.161 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.007 -8.211 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.531 -8.439 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.780 -10.581 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.285 -10.293 -4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.159 -10.199 -5.993 1.00 0.00 H new ATOM 1146 N LEU A 73 1.389 -3.368 -6.462 1.00 0.00 N ATOM 1147 CA LEU A 73 1.210 -2.366 -7.508 1.00 0.00 C ATOM 1148 C LEU A 73 1.127 -3.023 -8.882 1.00 0.00 C ATOM 1149 O LEU A 73 2.148 -3.284 -9.518 1.00 0.00 O ATOM 1150 CB LEU A 73 2.361 -1.360 -7.480 1.00 0.00 C ATOM 1151 CG LEU A 73 2.025 0.057 -7.949 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.247 0.803 -6.876 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.295 0.813 -8.312 1.00 0.00 C ATOM 0 H LEU A 73 2.265 -3.287 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 73 0.273 -1.842 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.743 -1.303 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.169 -1.745 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 73 1.400 -0.013 -8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.017 1.809 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.319 0.272 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.847 0.864 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.037 1.819 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.944 0.874 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.814 0.288 -9.114 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.095 -3.285 -9.335 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.311 -3.910 -10.635 1.00 0.00 C ATOM 1167 C GLU A 74 0.404 -3.133 -11.737 1.00 0.00 C ATOM 1168 O GLU A 74 0.803 -1.986 -11.542 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.807 -3.995 -10.943 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.465 -5.262 -10.422 1.00 0.00 C ATOM 1171 CD GLU A 74 -2.116 -6.483 -11.250 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.089 -7.128 -10.952 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.870 -6.795 -12.196 1.00 0.00 O ATOM 0 H GLU A 74 -0.950 -3.074 -8.821 1.00 0.00 H new ATOM 0 HA GLU A 74 0.102 -4.918 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.308 -3.130 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.951 -3.938 -12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.158 -5.428 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.547 -5.129 -10.416 1.00 0.00 H new ATOM 1180 N GLU A 75 0.562 -3.769 -12.894 1.00 0.00 N ATOM 1181 CA GLU A 75 1.230 -3.138 -14.026 1.00 0.00 C ATOM 1182 C GLU A 75 0.293 -2.164 -14.736 1.00 0.00 C ATOM 1183 O GLU A 75 0.654 -1.016 -14.992 1.00 0.00 O ATOM 1184 CB GLU A 75 1.722 -4.199 -15.012 1.00 0.00 C ATOM 1185 CG GLU A 75 2.676 -3.657 -16.063 1.00 0.00 C ATOM 1186 CD GLU A 75 1.955 -3.128 -17.288 1.00 0.00 C ATOM 1187 OE1 GLU A 75 1.456 -1.985 -17.236 1.00 0.00 O ATOM 1188 OE2 GLU A 75 1.890 -3.858 -18.299 1.00 0.00 O ATOM 0 H GLU A 75 0.237 -4.719 -13.072 1.00 0.00 H new ATOM 0 HA GLU A 75 2.086 -2.581 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.219 -4.995 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.862 -4.647 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.276 -2.859 -15.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.365 -4.446 -16.364 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.910 -2.632 -15.051 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.898 -1.803 -15.732 1.00 0.00 C ATOM 1197 C ASN A 76 -2.159 -0.517 -14.953 1.00 0.00 C ATOM 1198 O ASN A 76 -2.078 0.582 -15.503 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.205 -2.577 -15.913 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.207 -3.422 -17.173 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.160 -3.659 -17.776 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.386 -3.881 -17.576 1.00 0.00 N ATOM 0 H ASN A 76 -1.224 -3.580 -14.846 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.501 -1.539 -16.712 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.366 -3.220 -15.048 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.038 -1.875 -15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.449 -4.455 -18.417 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.228 -3.659 -17.045 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.473 -0.662 -13.671 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.746 0.487 -12.815 1.00 0.00 C ATOM 1211 C LEU A 77 -1.570 1.459 -12.818 1.00 0.00 C ATOM 1212 O LEU A 77 -1.755 2.675 -12.760 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.038 0.027 -11.386 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.176 -0.981 -11.225 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.396 -1.309 -9.756 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.456 -0.445 -11.851 1.00 0.00 C ATOM 0 H LEU A 77 -2.545 -1.564 -13.201 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.622 1.002 -13.209 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.129 -0.412 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.269 0.905 -10.783 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.898 -1.899 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.210 -2.028 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.484 -1.736 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.652 -0.398 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.255 -1.176 -11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.738 0.487 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.293 -0.262 -12.913 1.00 0.00 H new