USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 633 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 17 THR OG1 : rot 180:sc= -0.807 USER MOD Set 1.2: A 20 GLN : amide:sc= 0 X(o=-0.81,f=-1.3) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0586 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.4!) USER MOD Single : A 5 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.16) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 50:sc= -0.306 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.116 (180deg=-0.54) USER MOD Single : A 31 ASN :FLIP amide:sc= -4.8! C(o=-6.3!,f=-4.8!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.72 X(o=-1.7,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.859 X(o=-0.86,f=-0.38) USER MOD Single : A 59 ASN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 62 MET CE :methyl -178:sc= -0.212 (180deg=-0.234) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -132:sc=-0.00983 (180deg=-2.33!) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0351 (180deg=-0.326) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.255 K(o=-0.25,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.764 8.579 -23.633 1.00 0.00 N ATOM 2 CA ALA A 1 7.230 7.866 -22.416 1.00 0.00 C ATOM 3 C ALA A 1 8.465 7.022 -22.717 1.00 0.00 C ATOM 4 O ALA A 1 8.670 6.585 -23.850 1.00 0.00 O ATOM 5 CB ALA A 1 6.118 6.992 -21.859 1.00 0.00 C ATOM 0 H1 ALA A 1 5.725 8.548 -23.677 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.080 9.569 -23.598 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.160 8.119 -24.478 1.00 0.00 H new ATOM 0 HA ALA A 1 7.501 8.611 -21.668 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.473 6.475 -20.967 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.261 7.614 -21.601 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.821 6.259 -22.609 1.00 0.00 H new ATOM 13 N ASN A 2 9.285 6.797 -21.695 1.00 0.00 N ATOM 14 CA ASN A 2 10.502 6.008 -21.849 1.00 0.00 C ATOM 15 C ASN A 2 10.188 4.514 -21.839 1.00 0.00 C ATOM 16 O ASN A 2 10.201 3.861 -22.882 1.00 0.00 O ATOM 17 CB ASN A 2 11.494 6.341 -20.733 1.00 0.00 C ATOM 18 CG ASN A 2 11.932 7.793 -20.760 1.00 0.00 C ATOM 19 OD1 ASN A 2 11.186 8.672 -21.192 1.00 0.00 O ATOM 20 ND2 ASN A 2 13.148 8.053 -20.296 1.00 0.00 N ATOM 0 H ASN A 2 9.129 7.150 -20.751 1.00 0.00 H new ATOM 0 HA ASN A 2 10.949 6.259 -22.811 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.038 6.120 -19.768 1.00 0.00 H new ATOM 0 HB3 ASN A 2 12.370 5.699 -20.826 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.497 9.011 -20.288 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.734 7.294 -19.947 1.00 0.00 H new ATOM 27 N TRP A 3 9.906 3.982 -20.654 1.00 0.00 N ATOM 28 CA TRP A 3 9.587 2.566 -20.505 1.00 0.00 C ATOM 29 C TRP A 3 8.927 2.299 -19.156 1.00 0.00 C ATOM 30 O TRP A 3 8.083 1.412 -19.031 1.00 0.00 O ATOM 31 CB TRP A 3 10.852 1.715 -20.651 1.00 0.00 C ATOM 32 CG TRP A 3 10.631 0.257 -20.377 1.00 0.00 C ATOM 33 CD1 TRP A 3 9.915 -0.623 -21.136 1.00 0.00 C ATOM 34 CD2 TRP A 3 11.135 -0.490 -19.262 1.00 0.00 C ATOM 35 NE1 TRP A 3 9.940 -1.870 -20.561 1.00 0.00 N ATOM 36 CE2 TRP A 3 10.683 -1.815 -19.410 1.00 0.00 C ATOM 37 CE3 TRP A 3 11.923 -0.168 -18.154 1.00 0.00 C ATOM 38 CZ2 TRP A 3 10.993 -2.815 -18.492 1.00 0.00 C ATOM 39 CZ3 TRP A 3 12.231 -1.161 -17.243 1.00 0.00 C ATOM 40 CH2 TRP A 3 11.766 -2.471 -17.417 1.00 0.00 C ATOM 0 H TRP A 3 9.892 4.511 -19.782 1.00 0.00 H new ATOM 0 HA TRP A 3 8.885 2.291 -21.293 1.00 0.00 H new ATOM 0 HB2 TRP A 3 11.243 1.831 -21.662 1.00 0.00 H new ATOM 0 HB3 TRP A 3 11.614 2.093 -19.969 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.404 -0.375 -22.054 1.00 0.00 H new ATOM 0 HE1 TRP A 3 9.480 -2.702 -20.930 1.00 0.00 H new ATOM 0 HE3 TRP A 3 12.285 0.839 -18.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.636 -3.826 -18.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 12.840 -0.923 -16.383 1.00 0.00 H new ATOM 0 HH2 TRP A 3 12.023 -3.225 -16.688 1.00 0.00 H new ATOM 51 N ILE A 4 9.318 3.074 -18.151 1.00 0.00 N ATOM 52 CA ILE A 4 8.763 2.924 -16.811 1.00 0.00 C ATOM 53 C ILE A 4 7.462 3.706 -16.668 1.00 0.00 C ATOM 54 O ILE A 4 6.995 3.948 -15.555 1.00 0.00 O ATOM 55 CB ILE A 4 9.757 3.404 -15.734 1.00 0.00 C ATOM 56 CG1 ILE A 4 10.094 4.884 -15.942 1.00 0.00 C ATOM 57 CG2 ILE A 4 11.020 2.555 -15.764 1.00 0.00 C ATOM 58 CD1 ILE A 4 10.919 5.484 -14.823 1.00 0.00 C ATOM 0 H ILE A 4 10.017 3.812 -18.238 1.00 0.00 H new ATOM 0 HA ILE A 4 8.566 1.862 -16.666 1.00 0.00 H new ATOM 0 HB ILE A 4 9.292 3.293 -14.754 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.636 4.995 -16.881 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.167 5.448 -16.040 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.712 2.905 -14.998 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.763 1.513 -15.571 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.491 2.637 -16.744 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.118 6.533 -15.040 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.371 5.405 -13.884 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.863 4.946 -14.738 1.00 0.00 H new ATOM 70 N HIS A 5 6.884 4.097 -17.801 1.00 0.00 N ATOM 71 CA HIS A 5 5.638 4.858 -17.806 1.00 0.00 C ATOM 72 C HIS A 5 5.833 6.191 -17.089 1.00 0.00 C ATOM 73 O HIS A 5 4.873 6.820 -16.643 1.00 0.00 O ATOM 74 CB HIS A 5 4.518 4.051 -17.137 1.00 0.00 C ATOM 75 CG HIS A 5 3.143 4.560 -17.438 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.497 4.322 -18.633 1.00 0.00 N ATOM 77 CD2 HIS A 5 2.287 5.299 -16.692 1.00 0.00 C ATOM 78 CE1 HIS A 5 1.306 4.892 -18.610 1.00 0.00 C ATOM 79 NE2 HIS A 5 1.154 5.490 -17.442 1.00 0.00 N ATOM 0 H HIS A 5 7.259 3.899 -18.729 1.00 0.00 H new ATOM 0 HA HIS A 5 5.353 5.056 -18.839 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.589 3.012 -17.459 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.671 4.061 -16.058 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.464 5.669 -15.693 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.580 4.873 -19.410 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.328 6.010 -17.146 1.00 0.00 H new ATOM 88 N ALA A 6 7.090 6.617 -16.990 1.00 0.00 N ATOM 89 CA ALA A 6 7.432 7.872 -16.327 1.00 0.00 C ATOM 90 C ALA A 6 6.977 7.869 -14.870 1.00 0.00 C ATOM 91 O ALA A 6 6.921 8.917 -14.225 1.00 0.00 O ATOM 92 CB ALA A 6 6.823 9.051 -17.073 1.00 0.00 C ATOM 0 H ALA A 6 7.892 6.108 -17.363 1.00 0.00 H new ATOM 0 HA ALA A 6 8.517 7.973 -16.339 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.088 9.979 -16.565 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.206 9.073 -18.093 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.738 8.946 -17.095 1.00 0.00 H new ATOM 98 N ARG A 7 6.661 6.684 -14.354 1.00 0.00 N ATOM 99 CA ARG A 7 6.216 6.543 -12.973 1.00 0.00 C ATOM 100 C ARG A 7 7.400 6.589 -12.013 1.00 0.00 C ATOM 101 O ARG A 7 8.433 5.963 -12.256 1.00 0.00 O ATOM 102 CB ARG A 7 5.446 5.231 -12.794 1.00 0.00 C ATOM 103 CG ARG A 7 4.166 5.163 -13.610 1.00 0.00 C ATOM 104 CD ARG A 7 3.448 3.836 -13.419 1.00 0.00 C ATOM 105 NE ARG A 7 3.111 3.591 -12.018 1.00 0.00 N ATOM 106 CZ ARG A 7 2.434 2.528 -11.595 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.014 1.613 -12.461 1.00 0.00 N ATOM 108 NH2 ARG A 7 2.175 2.378 -10.303 1.00 0.00 N ATOM 0 H ARG A 7 6.705 5.807 -14.873 1.00 0.00 H new ATOM 0 HA ARG A 7 5.554 7.378 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.091 4.399 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.202 5.103 -11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.505 5.980 -13.319 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.399 5.302 -14.666 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.537 3.828 -14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.079 3.027 -13.787 1.00 0.00 H new ATOM 0 HE ARG A 7 3.413 4.275 -11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.211 1.724 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.495 0.799 -12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.495 3.078 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.656 1.562 -9.978 1.00 0.00 H new ATOM 122 N SER A 8 7.243 7.334 -10.923 1.00 0.00 N ATOM 123 CA SER A 8 8.298 7.467 -9.924 1.00 0.00 C ATOM 124 C SER A 8 7.706 7.604 -8.525 1.00 0.00 C ATOM 125 O SER A 8 6.537 7.955 -8.369 1.00 0.00 O ATOM 126 CB SER A 8 9.177 8.679 -10.239 1.00 0.00 C ATOM 127 OG SER A 8 10.216 8.818 -9.284 1.00 0.00 O ATOM 0 H SER A 8 6.393 7.856 -10.709 1.00 0.00 H new ATOM 0 HA SER A 8 8.910 6.565 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.606 8.572 -11.235 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.566 9.582 -10.251 1.00 0.00 H new ATOM 0 HG SER A 8 10.764 9.598 -9.509 1.00 0.00 H new ATOM 133 N THR A 9 8.521 7.326 -7.511 1.00 0.00 N ATOM 134 CA THR A 9 8.075 7.418 -6.126 1.00 0.00 C ATOM 135 C THR A 9 7.796 8.865 -5.731 1.00 0.00 C ATOM 136 O THR A 9 8.558 9.769 -6.072 1.00 0.00 O ATOM 137 CB THR A 9 9.117 6.826 -5.157 1.00 0.00 C ATOM 138 OG1 THR A 9 10.361 7.524 -5.288 1.00 0.00 O ATOM 139 CG2 THR A 9 9.330 5.344 -5.429 1.00 0.00 C ATOM 0 H THR A 9 9.492 7.036 -7.623 1.00 0.00 H new ATOM 0 HA THR A 9 7.154 6.840 -6.054 1.00 0.00 H new ATOM 0 HB THR A 9 8.741 6.942 -4.140 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.017 7.143 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.070 4.949 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.388 4.811 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.685 5.209 -6.451 1.00 0.00 H new ATOM 147 N ARG A 10 6.699 9.074 -5.011 1.00 0.00 N ATOM 148 CA ARG A 10 6.319 10.412 -4.569 1.00 0.00 C ATOM 149 C ARG A 10 6.777 10.659 -3.136 1.00 0.00 C ATOM 150 O ARG A 10 6.643 9.792 -2.273 1.00 0.00 O ATOM 151 CB ARG A 10 4.802 10.602 -4.669 1.00 0.00 C ATOM 152 CG ARG A 10 4.260 10.497 -6.086 1.00 0.00 C ATOM 153 CD ARG A 10 4.124 9.048 -6.530 1.00 0.00 C ATOM 154 NE ARG A 10 3.263 8.282 -5.633 1.00 0.00 N ATOM 155 CZ ARG A 10 3.186 6.954 -5.640 1.00 0.00 C ATOM 156 NH1 ARG A 10 3.926 6.246 -6.483 1.00 0.00 N ATOM 157 NH2 ARG A 10 2.372 6.332 -4.799 1.00 0.00 N ATOM 0 H ARG A 10 6.058 8.336 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 10 6.810 11.133 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.310 9.855 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.540 11.579 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.288 10.987 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.924 11.026 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.717 9.015 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.111 8.586 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 10 2.688 8.794 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.557 6.720 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.864 5.228 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.804 6.872 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.314 5.314 -4.805 1.00 0.00 H new ATOM 171 N LYS A 11 7.320 11.848 -2.889 1.00 0.00 N ATOM 172 CA LYS A 11 7.799 12.208 -1.561 1.00 0.00 C ATOM 173 C LYS A 11 6.903 13.265 -0.921 1.00 0.00 C ATOM 174 O LYS A 11 6.953 14.440 -1.287 1.00 0.00 O ATOM 175 CB LYS A 11 9.237 12.723 -1.640 1.00 0.00 C ATOM 176 CG LYS A 11 10.219 11.702 -2.190 1.00 0.00 C ATOM 177 CD LYS A 11 11.636 12.254 -2.233 1.00 0.00 C ATOM 178 CE LYS A 11 11.769 13.377 -3.250 1.00 0.00 C ATOM 179 NZ LYS A 11 13.159 13.909 -3.308 1.00 0.00 N ATOM 0 H LYS A 11 7.439 12.577 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 11 7.771 11.313 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.261 13.613 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.561 13.027 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.196 10.805 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.913 11.406 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.914 12.622 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.332 11.453 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.478 13.012 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.082 14.183 -2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.209 14.673 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.428 14.281 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.812 13.146 -3.578 1.00 0.00 H new ATOM 193 N LYS A 12 6.082 12.839 0.036 1.00 0.00 N ATOM 194 CA LYS A 12 5.176 13.748 0.731 1.00 0.00 C ATOM 195 C LYS A 12 5.081 13.397 2.212 1.00 0.00 C ATOM 196 O LYS A 12 5.780 12.507 2.696 1.00 0.00 O ATOM 197 CB LYS A 12 3.784 13.706 0.097 1.00 0.00 C ATOM 198 CG LYS A 12 3.727 14.323 -1.293 1.00 0.00 C ATOM 199 CD LYS A 12 2.292 14.499 -1.769 1.00 0.00 C ATOM 200 CE LYS A 12 1.615 13.161 -2.018 1.00 0.00 C ATOM 201 NZ LYS A 12 0.208 13.326 -2.473 1.00 0.00 N ATOM 0 H LYS A 12 6.026 11.869 0.348 1.00 0.00 H new ATOM 0 HA LYS A 12 5.578 14.757 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.452 12.669 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.082 14.230 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.229 15.290 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.269 13.690 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.727 15.060 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.282 15.088 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.176 12.605 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.633 12.569 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.218 12.390 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.335 13.834 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.191 13.869 -3.360 1.00 0.00 H new ATOM 215 N ARG A 13 4.211 14.106 2.927 1.00 0.00 N ATOM 216 CA ARG A 13 4.022 13.871 4.355 1.00 0.00 C ATOM 217 C ARG A 13 3.267 12.568 4.594 1.00 0.00 C ATOM 218 O ARG A 13 3.722 11.703 5.342 1.00 0.00 O ATOM 219 CB ARG A 13 3.265 15.037 4.993 1.00 0.00 C ATOM 220 CG ARG A 13 3.047 14.880 6.492 1.00 0.00 C ATOM 221 CD ARG A 13 4.363 14.867 7.253 1.00 0.00 C ATOM 222 NE ARG A 13 4.162 14.671 8.687 1.00 0.00 N ATOM 223 CZ ARG A 13 5.106 14.229 9.512 1.00 0.00 C ATOM 224 NH1 ARG A 13 6.317 13.945 9.051 1.00 0.00 N ATOM 225 NH2 ARG A 13 4.840 14.072 10.801 1.00 0.00 N ATOM 0 H ARG A 13 3.626 14.847 2.541 1.00 0.00 H new ATOM 0 HA ARG A 13 5.006 13.792 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.816 15.960 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.297 15.141 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.424 15.697 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.505 13.954 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.999 14.072 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.888 15.807 7.085 1.00 0.00 H new ATOM 0 HE ARG A 13 3.244 14.886 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.527 14.066 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.038 13.606 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.911 14.290 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.565 13.733 11.434 1.00 0.00 H new ATOM 239 N CYS A 14 2.110 12.437 3.952 1.00 0.00 N ATOM 240 CA CYS A 14 1.287 11.241 4.094 1.00 0.00 C ATOM 241 C CYS A 14 0.686 10.831 2.748 1.00 0.00 C ATOM 242 O CYS A 14 -0.515 10.980 2.524 1.00 0.00 O ATOM 243 CB CYS A 14 0.176 11.481 5.117 1.00 0.00 C ATOM 244 SG CYS A 14 -0.871 12.910 4.752 1.00 0.00 S ATOM 0 H CYS A 14 1.721 13.144 3.328 1.00 0.00 H new ATOM 0 HA CYS A 14 1.923 10.429 4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.450 10.591 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.626 11.616 6.101 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.280 12.845 3.520 1.00 0.00 H new ATOM 250 N PRO A 15 1.522 10.311 1.831 1.00 0.00 N ATOM 251 CA PRO A 15 1.080 9.884 0.508 1.00 0.00 C ATOM 252 C PRO A 15 0.617 8.436 0.482 1.00 0.00 C ATOM 253 O PRO A 15 0.717 7.756 -0.539 1.00 0.00 O ATOM 254 CB PRO A 15 2.340 10.048 -0.324 1.00 0.00 C ATOM 255 CG PRO A 15 3.470 9.787 0.617 1.00 0.00 C ATOM 256 CD PRO A 15 2.972 10.103 2.008 1.00 0.00 C ATOM 0 HA PRO A 15 0.222 10.456 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.354 9.348 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.404 11.050 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.794 8.748 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.331 10.407 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.176 9.286 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.456 10.992 2.413 1.00 0.00 H new ATOM 264 N TYR A 16 0.109 7.982 1.611 1.00 0.00 N ATOM 265 CA TYR A 16 -0.374 6.620 1.744 1.00 0.00 C ATOM 266 C TYR A 16 -1.513 6.340 0.776 1.00 0.00 C ATOM 267 O TYR A 16 -2.179 7.255 0.293 1.00 0.00 O ATOM 268 CB TYR A 16 -0.840 6.363 3.175 1.00 0.00 C ATOM 269 CG TYR A 16 -1.951 7.283 3.633 1.00 0.00 C ATOM 270 CD1 TYR A 16 -3.284 6.953 3.422 1.00 0.00 C ATOM 271 CD2 TYR A 16 -1.667 8.478 4.281 1.00 0.00 C ATOM 272 CE1 TYR A 16 -4.302 7.788 3.840 1.00 0.00 C ATOM 273 CE2 TYR A 16 -2.679 9.319 4.703 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.993 8.969 4.481 1.00 0.00 C ATOM 275 OH TYR A 16 -5.003 9.805 4.900 1.00 0.00 O ATOM 0 H TYR A 16 0.019 8.543 2.458 1.00 0.00 H new ATOM 0 HA TYR A 16 0.451 5.949 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.180 5.331 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.010 6.472 3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.529 6.027 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.638 8.755 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.333 7.518 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.441 10.246 5.204 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.616 10.594 5.334 1.00 0.00 H new ATOM 285 N THR A 17 -1.722 5.062 0.504 1.00 0.00 N ATOM 286 CA THR A 17 -2.783 4.629 -0.396 1.00 0.00 C ATOM 287 C THR A 17 -3.996 4.151 0.379 1.00 0.00 C ATOM 288 O THR A 17 -4.030 4.215 1.608 1.00 0.00 O ATOM 289 CB THR A 17 -2.328 3.477 -1.307 1.00 0.00 C ATOM 290 OG1 THR A 17 -1.798 2.408 -0.516 1.00 0.00 O ATOM 291 CG2 THR A 17 -1.284 3.943 -2.299 1.00 0.00 C ATOM 0 H THR A 17 -1.168 4.301 0.896 1.00 0.00 H new ATOM 0 HA THR A 17 -3.037 5.498 -1.003 1.00 0.00 H new ATOM 0 HB THR A 17 -3.196 3.124 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.512 1.677 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.982 3.107 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.701 4.734 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.416 4.324 -1.761 1.00 0.00 H new ATOM 299 N LYS A 18 -4.989 3.669 -0.353 1.00 0.00 N ATOM 300 CA LYS A 18 -6.202 3.148 0.251 1.00 0.00 C ATOM 301 C LYS A 18 -5.971 1.709 0.695 1.00 0.00 C ATOM 302 O LYS A 18 -6.684 1.187 1.552 1.00 0.00 O ATOM 303 CB LYS A 18 -7.357 3.209 -0.748 1.00 0.00 C ATOM 304 CG LYS A 18 -7.523 4.571 -1.403 1.00 0.00 C ATOM 305 CD LYS A 18 -8.476 4.508 -2.587 1.00 0.00 C ATOM 306 CE LYS A 18 -9.899 4.207 -2.144 1.00 0.00 C ATOM 307 NZ LYS A 18 -10.841 4.166 -3.297 1.00 0.00 N ATOM 0 H LYS A 18 -4.976 3.629 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.460 3.756 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.196 2.459 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.283 2.945 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.899 5.285 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.552 4.937 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.454 5.457 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.141 3.740 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.922 3.251 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.227 4.966 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.801 3.958 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.838 5.087 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.543 3.424 -3.962 1.00 0.00 H new ATOM 321 N TYR A 19 -4.954 1.080 0.105 1.00 0.00 N ATOM 322 CA TYR A 19 -4.621 -0.303 0.422 1.00 0.00 C ATOM 323 C TYR A 19 -3.760 -0.385 1.679 1.00 0.00 C ATOM 324 O TYR A 19 -3.983 -1.235 2.541 1.00 0.00 O ATOM 325 CB TYR A 19 -3.886 -0.950 -0.752 1.00 0.00 C ATOM 326 CG TYR A 19 -4.202 -2.416 -0.930 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.433 -2.821 -1.430 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.273 -3.395 -0.600 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.729 -4.160 -1.598 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.563 -4.737 -0.766 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.792 -5.113 -1.264 1.00 0.00 C ATOM 332 OH TYR A 19 -5.084 -6.448 -1.432 1.00 0.00 O ATOM 0 H TYR A 19 -4.348 1.509 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.551 -0.841 0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.143 -0.418 -1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.812 -0.834 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.171 -2.077 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.310 -3.104 -0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.690 -4.458 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.830 -5.487 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.317 -6.989 -1.150 1.00 0.00 H new ATOM 342 N GLN A 20 -2.775 0.504 1.773 1.00 0.00 N ATOM 343 CA GLN A 20 -1.878 0.533 2.921 1.00 0.00 C ATOM 344 C GLN A 20 -2.653 0.767 4.213 1.00 0.00 C ATOM 345 O GLN A 20 -2.362 0.157 5.242 1.00 0.00 O ATOM 346 CB GLN A 20 -0.818 1.622 2.740 1.00 0.00 C ATOM 347 CG GLN A 20 0.167 1.330 1.620 1.00 0.00 C ATOM 348 CD GLN A 20 1.185 2.438 1.434 1.00 0.00 C ATOM 349 OE1 GLN A 20 1.562 3.117 2.390 1.00 0.00 O ATOM 350 NE2 GLN A 20 1.632 2.630 0.199 1.00 0.00 N ATOM 0 H GLN A 20 -2.579 1.214 1.067 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.383 -0.436 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.315 2.571 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.269 1.742 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.687 0.396 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.380 1.185 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.292 2.044 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.315 3.364 0.012 1.00 0.00 H new ATOM 359 N THR A 21 -3.643 1.649 4.151 1.00 0.00 N ATOM 360 CA THR A 21 -4.459 1.964 5.318 1.00 0.00 C ATOM 361 C THR A 21 -5.533 0.904 5.544 1.00 0.00 C ATOM 362 O THR A 21 -6.025 0.738 6.659 1.00 0.00 O ATOM 363 CB THR A 21 -5.131 3.341 5.176 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.963 3.604 6.314 1.00 0.00 O ATOM 365 CG2 THR A 21 -5.963 3.406 3.905 1.00 0.00 C ATOM 0 H THR A 21 -3.900 2.159 3.306 1.00 0.00 H new ATOM 0 HA THR A 21 -3.788 1.982 6.177 1.00 0.00 H new ATOM 0 HB THR A 21 -4.349 4.098 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.385 4.483 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.429 4.388 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.321 3.238 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.737 2.639 3.937 1.00 0.00 H new ATOM 373 N LEU A 22 -5.893 0.192 4.478 1.00 0.00 N ATOM 374 CA LEU A 22 -6.905 -0.855 4.559 1.00 0.00 C ATOM 375 C LEU A 22 -6.460 -1.970 5.505 1.00 0.00 C ATOM 376 O LEU A 22 -7.249 -2.469 6.304 1.00 0.00 O ATOM 377 CB LEU A 22 -7.188 -1.414 3.156 1.00 0.00 C ATOM 378 CG LEU A 22 -7.378 -2.931 3.062 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.688 -3.357 3.711 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.331 -3.385 1.611 1.00 0.00 C ATOM 0 H LEU A 22 -5.497 0.323 3.547 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.823 -0.425 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.085 -0.931 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.365 -1.130 2.501 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.561 -3.409 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.799 -4.438 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.683 -3.070 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.521 -2.868 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.468 -4.465 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.126 -2.893 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.366 -3.122 1.179 1.00 0.00 H new ATOM 392 N GLU A 23 -5.191 -2.349 5.410 1.00 0.00 N ATOM 393 CA GLU A 23 -4.642 -3.408 6.249 1.00 0.00 C ATOM 394 C GLU A 23 -4.331 -2.899 7.655 1.00 0.00 C ATOM 395 O GLU A 23 -4.644 -3.556 8.653 1.00 0.00 O ATOM 396 CB GLU A 23 -3.382 -3.980 5.594 1.00 0.00 C ATOM 397 CG GLU A 23 -3.679 -4.911 4.431 1.00 0.00 C ATOM 398 CD GLU A 23 -4.500 -6.117 4.845 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.899 -7.129 5.263 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.743 -6.049 4.751 1.00 0.00 O ATOM 0 H GLU A 23 -4.522 -1.938 4.759 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.389 -4.196 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.759 -3.158 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.804 -4.520 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.214 -4.360 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.740 -5.248 3.992 1.00 0.00 H new ATOM 407 N LEU A 24 -3.723 -1.720 7.729 1.00 0.00 N ATOM 408 CA LEU A 24 -3.365 -1.121 9.010 1.00 0.00 C ATOM 409 C LEU A 24 -4.593 -0.916 9.892 1.00 0.00 C ATOM 410 O LEU A 24 -4.511 -1.038 11.114 1.00 0.00 O ATOM 411 CB LEU A 24 -2.648 0.213 8.787 1.00 0.00 C ATOM 412 CG LEU A 24 -1.271 0.104 8.127 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.739 1.483 7.772 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.296 -0.625 9.042 1.00 0.00 C ATOM 0 H LEU A 24 -3.467 -1.159 6.916 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.693 -1.808 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.281 0.850 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.535 0.713 9.749 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.375 -0.472 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.241 1.386 7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.425 1.971 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.650 2.083 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.677 -0.693 8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.197 -0.076 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.670 -1.628 9.247 1.00 0.00 H new ATOM 426 N GLU A 25 -5.731 -0.608 9.276 1.00 0.00 N ATOM 427 CA GLU A 25 -6.963 -0.389 10.026 1.00 0.00 C ATOM 428 C GLU A 25 -7.590 -1.713 10.458 1.00 0.00 C ATOM 429 O GLU A 25 -8.280 -1.776 11.475 1.00 0.00 O ATOM 430 CB GLU A 25 -7.966 0.423 9.202 1.00 0.00 C ATOM 431 CG GLU A 25 -8.524 -0.326 8.003 1.00 0.00 C ATOM 432 CD GLU A 25 -9.593 0.462 7.272 1.00 0.00 C ATOM 433 OE1 GLU A 25 -10.777 0.354 7.655 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.247 1.188 6.316 1.00 0.00 O ATOM 0 H GLU A 25 -5.825 -0.505 8.266 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.706 0.177 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.792 0.725 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.482 1.336 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.712 -0.557 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.941 -1.277 8.335 1.00 0.00 H new ATOM 441 N LYS A 26 -7.351 -2.767 9.679 1.00 0.00 N ATOM 442 CA LYS A 26 -7.896 -4.087 9.991 1.00 0.00 C ATOM 443 C LYS A 26 -7.465 -4.538 11.384 1.00 0.00 C ATOM 444 O LYS A 26 -8.277 -5.039 12.161 1.00 0.00 O ATOM 445 CB LYS A 26 -7.450 -5.117 8.949 1.00 0.00 C ATOM 446 CG LYS A 26 -8.228 -5.044 7.644 1.00 0.00 C ATOM 447 CD LYS A 26 -9.634 -5.610 7.793 1.00 0.00 C ATOM 448 CE LYS A 26 -9.613 -7.119 7.973 1.00 0.00 C ATOM 449 NZ LYS A 26 -8.924 -7.806 6.845 1.00 0.00 N ATOM 0 H LYS A 26 -6.786 -2.733 8.831 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.983 -4.012 9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.390 -4.972 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.557 -6.117 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.286 -4.007 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.694 -5.596 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.124 -5.148 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.224 -5.356 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.111 -7.366 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.635 -7.489 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.187 -8.812 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.209 -7.368 5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.894 -7.718 6.962 1.00 0.00 H new ATOM 463 N GLU A 27 -6.183 -4.359 11.694 1.00 0.00 N ATOM 464 CA GLU A 27 -5.657 -4.748 13.001 1.00 0.00 C ATOM 465 C GLU A 27 -5.852 -3.631 14.018 1.00 0.00 C ATOM 466 O GLU A 27 -5.985 -3.883 15.216 1.00 0.00 O ATOM 467 CB GLU A 27 -4.176 -5.112 12.892 1.00 0.00 C ATOM 468 CG GLU A 27 -3.895 -6.202 11.871 1.00 0.00 C ATOM 469 CD GLU A 27 -4.598 -7.504 12.202 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.003 -8.335 12.921 1.00 0.00 O ATOM 471 OE2 GLU A 27 -5.743 -7.695 11.741 1.00 0.00 O ATOM 0 H GLU A 27 -5.493 -3.950 11.063 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.209 -5.623 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.609 -4.220 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.817 -5.438 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.212 -5.862 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.820 -6.377 11.817 1.00 0.00 H new ATOM 478 N PHE A 28 -5.872 -2.397 13.527 1.00 0.00 N ATOM 479 CA PHE A 28 -6.062 -1.224 14.375 1.00 0.00 C ATOM 480 C PHE A 28 -7.319 -1.364 15.228 1.00 0.00 C ATOM 481 O PHE A 28 -7.459 -0.705 16.259 1.00 0.00 O ATOM 482 CB PHE A 28 -6.153 0.039 13.516 1.00 0.00 C ATOM 483 CG PHE A 28 -6.155 1.311 14.314 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.979 1.805 14.854 1.00 0.00 C ATOM 485 CD2 PHE A 28 -7.331 2.012 14.523 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.975 2.974 15.588 1.00 0.00 C ATOM 487 CE2 PHE A 28 -7.334 3.183 15.257 1.00 0.00 C ATOM 488 CZ PHE A 28 -6.154 3.665 15.790 1.00 0.00 C ATOM 0 H PHE A 28 -5.758 -2.181 12.537 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.202 -1.144 15.040 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.313 0.057 12.822 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.062 -0.005 12.916 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.054 1.269 14.699 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.256 1.639 14.108 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.051 3.348 16.004 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.257 3.721 15.414 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.153 4.580 16.363 1.00 0.00 H new ATOM 498 N LEU A 29 -8.227 -2.228 14.789 1.00 0.00 N ATOM 499 CA LEU A 29 -9.489 -2.439 15.486 1.00 0.00 C ATOM 500 C LEU A 29 -9.261 -2.975 16.888 1.00 0.00 C ATOM 501 O LEU A 29 -9.689 -2.377 17.876 1.00 0.00 O ATOM 502 CB LEU A 29 -10.372 -3.411 14.700 1.00 0.00 C ATOM 503 CG LEU A 29 -10.492 -3.118 13.201 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.413 -4.127 12.532 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.996 -1.703 12.972 1.00 0.00 C ATOM 0 H LEU A 29 -8.111 -2.796 13.950 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.991 -1.475 15.564 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.977 -4.419 14.826 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.371 -3.403 15.136 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.502 -3.206 12.754 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.486 -3.903 11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.010 -5.131 12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.404 -4.071 12.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.075 -1.514 11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.976 -1.587 13.434 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.299 -0.992 13.416 1.00 0.00 H new ATOM 517 N PHE A 30 -8.585 -4.103 16.958 1.00 0.00 N ATOM 518 CA PHE A 30 -8.302 -4.749 18.231 1.00 0.00 C ATOM 519 C PHE A 30 -6.845 -4.568 18.641 1.00 0.00 C ATOM 520 O PHE A 30 -6.552 -4.055 19.721 1.00 0.00 O ATOM 521 CB PHE A 30 -8.641 -6.240 18.146 1.00 0.00 C ATOM 522 CG PHE A 30 -9.405 -6.759 19.332 1.00 0.00 C ATOM 523 CD1 PHE A 30 -10.617 -6.194 19.694 1.00 0.00 C ATOM 524 CD2 PHE A 30 -8.911 -7.812 20.083 1.00 0.00 C ATOM 525 CE1 PHE A 30 -11.323 -6.671 20.782 1.00 0.00 C ATOM 526 CE2 PHE A 30 -9.613 -8.295 21.172 1.00 0.00 C ATOM 527 CZ PHE A 30 -10.820 -7.722 21.522 1.00 0.00 C ATOM 0 H PHE A 30 -8.218 -4.597 16.145 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.923 -4.276 18.992 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.225 -6.419 17.243 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.716 -6.808 18.045 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.015 -5.371 19.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.966 -8.261 19.815 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.267 -6.222 21.053 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.218 -9.119 21.748 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.369 -8.096 22.373 1.00 0.00 H new ATOM 537 N ASN A 31 -5.944 -4.978 17.756 1.00 0.00 N ATOM 538 CA ASN A 31 -4.498 -4.898 18.009 1.00 0.00 C ATOM 539 C ASN A 31 -4.127 -5.384 19.409 1.00 0.00 C ATOM 540 O ASN A 31 -3.029 -5.107 19.894 1.00 0.00 O ATOM 541 CB ASN A 31 -3.995 -3.469 17.830 1.00 0.00 C ATOM 542 CG ASN A 31 -3.520 -3.176 16.418 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.057 -4.205 15.716 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -3.561 -2.034 15.965 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.186 -5.373 16.847 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.021 -5.553 17.281 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.794 -2.774 18.090 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.176 -3.289 18.527 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.924 -1.271 16.537 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.232 -1.849 15.017 1.00 0.00 H new ATOM 551 N MET A 32 -5.029 -6.113 20.053 1.00 0.00 N ATOM 552 CA MET A 32 -4.777 -6.623 21.391 1.00 0.00 C ATOM 553 C MET A 32 -3.639 -7.632 21.375 1.00 0.00 C ATOM 554 O MET A 32 -3.143 -8.041 22.425 1.00 0.00 O ATOM 555 CB MET A 32 -6.038 -7.269 21.955 1.00 0.00 C ATOM 556 CG MET A 32 -6.998 -6.280 22.595 1.00 0.00 C ATOM 557 SD MET A 32 -6.271 -5.422 24.004 1.00 0.00 S ATOM 558 CE MET A 32 -7.635 -4.375 24.504 1.00 0.00 C ATOM 0 H MET A 32 -5.940 -6.363 19.670 1.00 0.00 H new ATOM 0 HA MET A 32 -4.491 -5.786 22.028 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.555 -7.796 21.153 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.753 -8.016 22.696 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.310 -5.548 21.850 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.895 -6.808 22.919 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.339 -3.780 25.368 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.905 -3.712 23.682 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.492 -4.995 24.767 1.00 0.00 H new ATOM 568 N TYR A 33 -3.226 -8.018 20.171 1.00 0.00 N ATOM 569 CA TYR A 33 -2.149 -8.988 20.002 1.00 0.00 C ATOM 570 C TYR A 33 -1.868 -9.245 18.525 1.00 0.00 C ATOM 571 O TYR A 33 -2.775 -9.204 17.693 1.00 0.00 O ATOM 572 CB TYR A 33 -2.507 -10.305 20.698 1.00 0.00 C ATOM 573 CG TYR A 33 -1.492 -11.403 20.481 1.00 0.00 C ATOM 574 CD1 TYR A 33 -0.238 -11.344 21.074 1.00 0.00 C ATOM 575 CD2 TYR A 33 -1.790 -12.500 19.684 1.00 0.00 C ATOM 576 CE1 TYR A 33 0.692 -12.346 20.878 1.00 0.00 C ATOM 577 CE2 TYR A 33 -0.866 -13.508 19.482 1.00 0.00 C ATOM 578 CZ TYR A 33 0.373 -13.427 20.081 1.00 0.00 C ATOM 579 OH TYR A 33 1.295 -14.428 19.885 1.00 0.00 O ATOM 0 H TYR A 33 -3.622 -7.673 19.297 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.250 -8.573 20.457 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.610 -10.124 21.768 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.478 -10.644 20.337 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.014 -10.500 21.699 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.760 -12.567 19.214 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.664 -12.284 21.346 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.113 -14.354 18.858 1.00 0.00 H new ATOM 0 HH TYR A 33 0.913 -15.115 19.300 1.00 0.00 H new ATOM 589 N LEU A 34 -0.604 -9.511 18.207 1.00 0.00 N ATOM 590 CA LEU A 34 -0.199 -9.782 16.834 1.00 0.00 C ATOM 591 C LEU A 34 0.749 -10.975 16.780 1.00 0.00 C ATOM 592 O LEU A 34 1.573 -11.166 17.676 1.00 0.00 O ATOM 593 CB LEU A 34 0.476 -8.555 16.222 1.00 0.00 C ATOM 594 CG LEU A 34 0.424 -8.480 14.696 1.00 0.00 C ATOM 595 CD1 LEU A 34 -0.993 -8.187 14.224 1.00 0.00 C ATOM 596 CD2 LEU A 34 1.389 -7.425 14.183 1.00 0.00 C ATOM 0 H LEU A 34 0.158 -9.544 18.884 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.093 -10.017 16.257 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.007 -7.660 16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.520 -8.539 16.536 1.00 0.00 H new ATOM 0 HG LEU A 34 0.726 -9.446 14.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.011 -8.137 13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.660 -8.980 14.562 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.324 -7.234 14.636 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.339 -7.385 13.095 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.118 -6.453 14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.403 -7.679 14.491 1.00 0.00 H new ATOM 608 N THR A 35 0.630 -11.774 15.725 1.00 0.00 N ATOM 609 CA THR A 35 1.474 -12.952 15.558 1.00 0.00 C ATOM 610 C THR A 35 2.287 -12.873 14.272 1.00 0.00 C ATOM 611 O THR A 35 1.962 -12.103 13.368 1.00 0.00 O ATOM 612 CB THR A 35 0.636 -14.244 15.542 1.00 0.00 C ATOM 613 OG1 THR A 35 1.473 -15.368 15.244 1.00 0.00 O ATOM 614 CG2 THR A 35 -0.483 -14.151 14.515 1.00 0.00 C ATOM 0 H THR A 35 -0.043 -11.627 14.973 1.00 0.00 H new ATOM 0 HA THR A 35 2.153 -12.976 16.411 1.00 0.00 H new ATOM 0 HB THR A 35 0.192 -14.375 16.529 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.933 -16.186 15.237 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.061 -15.075 14.522 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.135 -13.313 14.762 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.056 -13.998 13.524 1.00 0.00 H new ATOM 622 N ARG A 36 3.346 -13.674 14.197 1.00 0.00 N ATOM 623 CA ARG A 36 4.202 -13.705 13.016 1.00 0.00 C ATOM 624 C ARG A 36 3.390 -14.081 11.785 1.00 0.00 C ATOM 625 O ARG A 36 3.596 -13.537 10.699 1.00 0.00 O ATOM 626 CB ARG A 36 5.342 -14.706 13.211 1.00 0.00 C ATOM 627 CG ARG A 36 6.448 -14.581 12.177 1.00 0.00 C ATOM 628 CD ARG A 36 7.537 -15.618 12.398 1.00 0.00 C ATOM 629 NE ARG A 36 8.636 -15.468 11.448 1.00 0.00 N ATOM 630 CZ ARG A 36 9.746 -16.200 11.479 1.00 0.00 C ATOM 631 NH1 ARG A 36 9.901 -17.141 12.402 1.00 0.00 N ATOM 632 NH2 ARG A 36 10.703 -15.995 10.583 1.00 0.00 N ATOM 0 H ARG A 36 3.632 -14.311 14.941 1.00 0.00 H new ATOM 0 HA ARG A 36 4.625 -12.711 12.871 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.768 -14.568 14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.936 -15.717 13.175 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.029 -14.700 11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.881 -13.582 12.224 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.921 -15.529 13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.111 -16.617 12.305 1.00 0.00 H new ATOM 0 HE ARG A 36 8.547 -14.761 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.167 -17.305 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.754 -17.700 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.588 -15.275 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.554 -16.557 10.608 1.00 0.00 H new ATOM 646 N ASP A 37 2.467 -15.017 11.968 1.00 0.00 N ATOM 647 CA ASP A 37 1.610 -15.475 10.881 1.00 0.00 C ATOM 648 C ASP A 37 0.800 -14.317 10.310 1.00 0.00 C ATOM 649 O ASP A 37 0.452 -14.312 9.129 1.00 0.00 O ATOM 650 CB ASP A 37 0.674 -16.577 11.375 1.00 0.00 C ATOM 651 CG ASP A 37 1.428 -17.785 11.895 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.894 -17.741 13.053 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.551 -18.776 11.145 1.00 0.00 O ATOM 0 H ASP A 37 2.292 -15.475 12.862 1.00 0.00 H new ATOM 0 HA ASP A 37 2.244 -15.877 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.037 -16.181 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.018 -16.884 10.561 1.00 0.00 H new ATOM 658 N ARG A 38 0.505 -13.336 11.158 1.00 0.00 N ATOM 659 CA ARG A 38 -0.261 -12.168 10.741 1.00 0.00 C ATOM 660 C ARG A 38 0.638 -11.176 10.010 1.00 0.00 C ATOM 661 O ARG A 38 0.320 -10.731 8.908 1.00 0.00 O ATOM 662 CB ARG A 38 -0.905 -11.490 11.953 1.00 0.00 C ATOM 663 CG ARG A 38 -1.856 -10.364 11.585 1.00 0.00 C ATOM 664 CD ARG A 38 -3.108 -10.892 10.903 1.00 0.00 C ATOM 665 NE ARG A 38 -3.928 -11.695 11.807 1.00 0.00 N ATOM 666 CZ ARG A 38 -4.952 -12.442 11.409 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.282 -12.493 10.125 1.00 0.00 N ATOM 668 NH2 ARG A 38 -5.648 -13.143 12.296 1.00 0.00 N ATOM 0 H ARG A 38 0.785 -13.328 12.139 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.048 -12.499 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.447 -12.238 12.532 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.120 -11.095 12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.135 -9.814 12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.350 -9.660 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.696 -10.055 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.824 -11.494 10.040 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.701 -11.681 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.749 -11.958 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.069 -13.068 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.397 -13.108 13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.434 -13.716 11.990 1.00 0.00 H new ATOM 682 N ARG A 39 1.760 -10.836 10.636 1.00 0.00 N ATOM 683 CA ARG A 39 2.716 -9.901 10.053 1.00 0.00 C ATOM 684 C ARG A 39 3.142 -10.349 8.658 1.00 0.00 C ATOM 685 O ARG A 39 3.479 -9.526 7.807 1.00 0.00 O ATOM 686 CB ARG A 39 3.945 -9.784 10.958 1.00 0.00 C ATOM 687 CG ARG A 39 3.602 -9.400 12.387 1.00 0.00 C ATOM 688 CD ARG A 39 4.786 -9.591 13.318 1.00 0.00 C ATOM 689 NE ARG A 39 4.420 -9.367 14.714 1.00 0.00 N ATOM 690 CZ ARG A 39 5.092 -9.876 15.743 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.159 -10.634 15.534 1.00 0.00 N ATOM 692 NH2 ARG A 39 4.693 -9.627 16.983 1.00 0.00 N ATOM 0 H ARG A 39 2.030 -11.196 11.551 1.00 0.00 H new ATOM 0 HA ARG A 39 2.232 -8.928 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.477 -10.735 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.625 -9.040 10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.279 -8.359 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.764 -10.004 12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.180 -10.601 13.203 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.584 -8.904 13.037 1.00 0.00 H new ATOM 0 HE ARG A 39 3.604 -8.788 14.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.468 -10.829 14.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.672 -11.022 16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.871 -9.046 17.147 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.208 -10.017 17.772 1.00 0.00 H new ATOM 706 N TYR A 40 3.115 -11.658 8.432 1.00 0.00 N ATOM 707 CA TYR A 40 3.508 -12.226 7.147 1.00 0.00 C ATOM 708 C TYR A 40 2.454 -11.969 6.071 1.00 0.00 C ATOM 709 O TYR A 40 2.746 -11.357 5.043 1.00 0.00 O ATOM 710 CB TYR A 40 3.745 -13.730 7.294 1.00 0.00 C ATOM 711 CG TYR A 40 4.257 -14.396 6.034 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.484 -14.039 5.485 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.516 -15.382 5.396 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.956 -14.647 4.337 1.00 0.00 C ATOM 715 CE2 TYR A 40 3.981 -15.994 4.247 1.00 0.00 C ATOM 716 CZ TYR A 40 5.201 -15.622 3.722 1.00 0.00 C ATOM 717 OH TYR A 40 5.668 -16.229 2.577 1.00 0.00 O ATOM 0 H TYR A 40 2.824 -12.348 9.125 1.00 0.00 H new ATOM 0 HA TYR A 40 4.431 -11.738 6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.461 -13.898 8.099 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.812 -14.208 7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.078 -13.274 5.964 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.560 -15.676 5.804 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.912 -14.359 3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.392 -16.759 3.763 1.00 0.00 H new ATOM 0 HH TYR A 40 5.017 -16.894 2.270 1.00 0.00 H new ATOM 727 N GLU A 41 1.233 -12.437 6.314 1.00 0.00 N ATOM 728 CA GLU A 41 0.143 -12.268 5.357 1.00 0.00 C ATOM 729 C GLU A 41 -0.102 -10.796 5.035 1.00 0.00 C ATOM 730 O GLU A 41 -0.279 -10.429 3.873 1.00 0.00 O ATOM 731 CB GLU A 41 -1.141 -12.912 5.888 1.00 0.00 C ATOM 732 CG GLU A 41 -1.614 -12.341 7.215 1.00 0.00 C ATOM 733 CD GLU A 41 -2.945 -12.920 7.657 1.00 0.00 C ATOM 734 OE1 GLU A 41 -2.941 -13.979 8.318 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.989 -12.311 7.346 1.00 0.00 O ATOM 0 H GLU A 41 0.973 -12.936 7.165 1.00 0.00 H new ATOM 0 HA GLU A 41 0.438 -12.767 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.931 -12.787 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.978 -13.984 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.863 -12.539 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.703 -11.258 7.129 1.00 0.00 H new ATOM 742 N VAL A 42 -0.109 -9.955 6.065 1.00 0.00 N ATOM 743 CA VAL A 42 -0.338 -8.527 5.878 1.00 0.00 C ATOM 744 C VAL A 42 0.807 -7.885 5.101 1.00 0.00 C ATOM 745 O VAL A 42 0.627 -6.860 4.447 1.00 0.00 O ATOM 746 CB VAL A 42 -0.511 -7.795 7.224 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.621 -8.442 8.038 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.793 -7.783 8.006 1.00 0.00 C ATOM 0 H VAL A 42 0.041 -10.237 7.034 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.261 -8.430 5.307 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.789 -6.761 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.732 -7.915 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.557 -8.390 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.370 -9.485 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.645 -7.261 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.109 -8.808 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.561 -7.272 7.425 1.00 0.00 H new ATOM 758 N ALA A 43 1.984 -8.497 5.181 1.00 0.00 N ATOM 759 CA ALA A 43 3.156 -7.989 4.483 1.00 0.00 C ATOM 760 C ALA A 43 3.133 -8.395 3.015 1.00 0.00 C ATOM 761 O ALA A 43 3.678 -7.703 2.157 1.00 0.00 O ATOM 762 CB ALA A 43 4.424 -8.496 5.151 1.00 0.00 C ATOM 0 H ALA A 43 2.150 -9.345 5.723 1.00 0.00 H new ATOM 0 HA ALA A 43 3.140 -6.900 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.294 -8.110 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.450 -8.157 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.438 -9.586 5.126 1.00 0.00 H new ATOM 768 N ARG A 44 2.491 -9.525 2.738 1.00 0.00 N ATOM 769 CA ARG A 44 2.388 -10.038 1.381 1.00 0.00 C ATOM 770 C ARG A 44 1.417 -9.202 0.555 1.00 0.00 C ATOM 771 O ARG A 44 1.592 -9.041 -0.654 1.00 0.00 O ATOM 772 CB ARG A 44 1.926 -11.495 1.414 1.00 0.00 C ATOM 773 CG ARG A 44 3.018 -12.472 1.817 1.00 0.00 C ATOM 774 CD ARG A 44 2.488 -13.895 1.896 1.00 0.00 C ATOM 775 NE ARG A 44 1.821 -14.297 0.662 1.00 0.00 N ATOM 776 CZ ARG A 44 1.079 -15.395 0.543 1.00 0.00 C ATOM 777 NH1 ARG A 44 0.913 -16.206 1.580 1.00 0.00 N ATOM 778 NH2 ARG A 44 0.503 -15.682 -0.616 1.00 0.00 N ATOM 0 H ARG A 44 2.033 -10.104 3.441 1.00 0.00 H new ATOM 0 HA ARG A 44 3.371 -9.979 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.093 -11.587 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.550 -11.770 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.834 -12.426 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.430 -12.181 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.312 -14.578 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.790 -13.977 2.729 1.00 0.00 H new ATOM 0 HE ARG A 44 1.930 -13.701 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.355 -15.989 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.343 -17.047 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.629 -15.061 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.066 -16.524 -0.708 1.00 0.00 H new ATOM 792 N VAL A 45 0.397 -8.670 1.219 1.00 0.00 N ATOM 793 CA VAL A 45 -0.610 -7.853 0.553 1.00 0.00 C ATOM 794 C VAL A 45 -0.195 -6.387 0.515 1.00 0.00 C ATOM 795 O VAL A 45 -0.536 -5.658 -0.419 1.00 0.00 O ATOM 796 CB VAL A 45 -1.976 -7.979 1.256 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.345 -9.441 1.425 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.964 -7.271 2.603 1.00 0.00 C ATOM 0 H VAL A 45 0.246 -8.790 2.220 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.699 -8.221 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.728 -7.497 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.312 -9.517 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.402 -9.917 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.586 -9.940 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.940 -7.375 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.201 -7.716 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.743 -6.214 2.456 1.00 0.00 H new ATOM 808 N LEU A 46 0.544 -5.961 1.534 1.00 0.00 N ATOM 809 CA LEU A 46 1.006 -4.581 1.620 1.00 0.00 C ATOM 810 C LEU A 46 2.366 -4.417 0.945 1.00 0.00 C ATOM 811 O LEU A 46 2.893 -3.308 0.854 1.00 0.00 O ATOM 812 CB LEU A 46 1.082 -4.136 3.085 1.00 0.00 C ATOM 813 CG LEU A 46 -0.263 -3.981 3.796 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.047 -3.474 5.214 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.175 -3.038 3.022 1.00 0.00 C ATOM 0 H LEU A 46 0.836 -6.552 2.312 1.00 0.00 H new ATOM 0 HA LEU A 46 0.289 -3.949 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.683 -4.859 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.609 -3.183 3.130 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.747 -4.956 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.010 -3.367 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.569 -4.185 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.455 -2.507 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.127 -2.942 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.703 -2.059 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.349 -3.438 2.023 1.00 0.00 H new ATOM 827 N ASN A 47 2.922 -5.529 0.469 1.00 0.00 N ATOM 828 CA ASN A 47 4.219 -5.518 -0.204 1.00 0.00 C ATOM 829 C ASN A 47 5.297 -4.934 0.702 1.00 0.00 C ATOM 830 O ASN A 47 6.234 -4.284 0.235 1.00 0.00 O ATOM 831 CB ASN A 47 4.137 -4.716 -1.504 1.00 0.00 C ATOM 832 CG ASN A 47 3.126 -5.292 -2.478 1.00 0.00 C ATOM 833 OD1 ASN A 47 3.458 -6.138 -3.308 1.00 0.00 O ATOM 834 ND2 ASN A 47 1.884 -4.835 -2.378 1.00 0.00 N ATOM 0 H ASN A 47 2.493 -6.452 0.537 1.00 0.00 H new ATOM 0 HA ASN A 47 4.487 -6.548 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.869 -3.685 -1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.119 -4.693 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.160 -5.186 -3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.654 -4.133 -1.675 1.00 0.00 H new ATOM 841 N LEU A 48 5.164 -5.184 1.999 1.00 0.00 N ATOM 842 CA LEU A 48 6.121 -4.685 2.979 1.00 0.00 C ATOM 843 C LEU A 48 6.860 -5.837 3.649 1.00 0.00 C ATOM 844 O LEU A 48 6.616 -7.005 3.346 1.00 0.00 O ATOM 845 CB LEU A 48 5.408 -3.838 4.037 1.00 0.00 C ATOM 846 CG LEU A 48 4.439 -2.786 3.489 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.859 -1.953 4.620 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.135 -1.893 2.471 1.00 0.00 C ATOM 0 H LEU A 48 4.401 -5.731 2.397 1.00 0.00 H new ATOM 0 HA LEU A 48 6.848 -4.063 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.858 -4.504 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.161 -3.334 4.643 1.00 0.00 H new ATOM 0 HG LEU A 48 3.621 -3.303 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.173 -1.211 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.321 -2.602 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.666 -1.447 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.429 -1.153 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.974 -1.385 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.500 -2.501 1.643 1.00 0.00 H new ATOM 860 N THR A 49 7.771 -5.498 4.555 1.00 0.00 N ATOM 861 CA THR A 49 8.544 -6.503 5.274 1.00 0.00 C ATOM 862 C THR A 49 7.886 -6.828 6.610 1.00 0.00 C ATOM 863 O THR A 49 7.253 -5.969 7.224 1.00 0.00 O ATOM 864 CB THR A 49 9.990 -6.029 5.521 1.00 0.00 C ATOM 865 OG1 THR A 49 10.563 -5.552 4.300 1.00 0.00 O ATOM 866 CG2 THR A 49 10.845 -7.160 6.076 1.00 0.00 C ATOM 0 H THR A 49 7.992 -4.535 4.809 1.00 0.00 H new ATOM 0 HA THR A 49 8.571 -7.398 4.653 1.00 0.00 H new ATOM 0 HB THR A 49 9.963 -5.221 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.481 -5.251 4.465 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.861 -6.801 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.424 -7.505 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.864 -7.985 5.364 1.00 0.00 H new ATOM 874 N GLU A 50 8.035 -8.073 7.056 1.00 0.00 N ATOM 875 CA GLU A 50 7.451 -8.506 8.320 1.00 0.00 C ATOM 876 C GLU A 50 7.867 -7.574 9.454 1.00 0.00 C ATOM 877 O GLU A 50 7.026 -7.064 10.194 1.00 0.00 O ATOM 878 CB GLU A 50 7.869 -9.943 8.640 1.00 0.00 C ATOM 879 CG GLU A 50 7.303 -10.975 7.675 1.00 0.00 C ATOM 880 CD GLU A 50 7.879 -10.850 6.277 1.00 0.00 C ATOM 881 OE1 GLU A 50 8.962 -11.420 6.028 1.00 0.00 O ATOM 882 OE2 GLU A 50 7.246 -10.184 5.431 1.00 0.00 O ATOM 0 H GLU A 50 8.555 -8.798 6.561 1.00 0.00 H new ATOM 0 HA GLU A 50 6.366 -8.470 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.957 -10.006 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.546 -10.189 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.506 -11.975 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.219 -10.866 7.628 1.00 0.00 H new ATOM 889 N ARG A 51 9.171 -7.358 9.581 1.00 0.00 N ATOM 890 CA ARG A 51 9.706 -6.478 10.613 1.00 0.00 C ATOM 891 C ARG A 51 9.215 -5.051 10.412 1.00 0.00 C ATOM 892 O ARG A 51 8.912 -4.351 11.375 1.00 0.00 O ATOM 893 CB ARG A 51 11.233 -6.495 10.594 1.00 0.00 C ATOM 894 CG ARG A 51 11.828 -7.858 10.904 1.00 0.00 C ATOM 895 CD ARG A 51 13.346 -7.806 10.937 1.00 0.00 C ATOM 896 NE ARG A 51 13.908 -7.430 9.643 1.00 0.00 N ATOM 897 CZ ARG A 51 15.212 -7.305 9.413 1.00 0.00 C ATOM 898 NH1 ARG A 51 16.086 -7.537 10.383 1.00 0.00 N ATOM 899 NH2 ARG A 51 15.643 -6.950 8.211 1.00 0.00 N ATOM 0 H ARG A 51 9.879 -7.781 8.981 1.00 0.00 H new ATOM 0 HA ARG A 51 9.355 -6.843 11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.580 -6.171 9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.606 -5.771 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.454 -8.210 11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.503 -8.578 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.668 -7.091 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.736 -8.780 11.233 1.00 0.00 H new ATOM 0 HE ARG A 51 13.264 -7.253 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.759 -7.812 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.085 -7.440 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.974 -6.772 7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.643 -6.854 8.036 1.00 0.00 H new ATOM 913 N GLN A 52 9.143 -4.629 9.153 1.00 0.00 N ATOM 914 CA GLN A 52 8.693 -3.282 8.821 1.00 0.00 C ATOM 915 C GLN A 52 7.354 -2.978 9.482 1.00 0.00 C ATOM 916 O GLN A 52 7.131 -1.872 9.972 1.00 0.00 O ATOM 917 CB GLN A 52 8.582 -3.119 7.305 1.00 0.00 C ATOM 918 CG GLN A 52 8.174 -1.719 6.872 1.00 0.00 C ATOM 919 CD GLN A 52 8.113 -1.566 5.363 1.00 0.00 C ATOM 920 OE1 GLN A 52 7.307 -0.797 4.839 1.00 0.00 O ATOM 921 NE2 GLN A 52 8.971 -2.293 4.657 1.00 0.00 N ATOM 0 H GLN A 52 9.391 -5.201 8.346 1.00 0.00 H new ATOM 0 HA GLN A 52 9.430 -2.574 9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.541 -3.366 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.854 -3.835 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.199 -1.482 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.882 -0.997 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.622 -2.918 5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.979 -2.227 3.639 1.00 0.00 H new ATOM 930 N VAL A 53 6.464 -3.967 9.493 1.00 0.00 N ATOM 931 CA VAL A 53 5.151 -3.803 10.102 1.00 0.00 C ATOM 932 C VAL A 53 5.278 -3.503 11.592 1.00 0.00 C ATOM 933 O VAL A 53 4.644 -2.581 12.105 1.00 0.00 O ATOM 934 CB VAL A 53 4.281 -5.061 9.906 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.916 -4.878 10.554 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.136 -5.383 8.426 1.00 0.00 C ATOM 0 H VAL A 53 6.630 -4.888 9.087 1.00 0.00 H new ATOM 0 HA VAL A 53 4.668 -2.962 9.606 1.00 0.00 H new ATOM 0 HB VAL A 53 4.777 -5.901 10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.318 -5.777 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.041 -4.700 11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.409 -4.026 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.519 -6.274 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.664 -4.543 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.121 -5.563 7.995 1.00 0.00 H new ATOM 946 N LYS A 54 6.103 -4.287 12.281 1.00 0.00 N ATOM 947 CA LYS A 54 6.322 -4.102 13.712 1.00 0.00 C ATOM 948 C LYS A 54 6.967 -2.750 13.985 1.00 0.00 C ATOM 949 O LYS A 54 6.456 -1.953 14.772 1.00 0.00 O ATOM 950 CB LYS A 54 7.214 -5.218 14.261 1.00 0.00 C ATOM 951 CG LYS A 54 6.608 -6.607 14.135 1.00 0.00 C ATOM 952 CD LYS A 54 7.648 -7.693 14.371 1.00 0.00 C ATOM 953 CE LYS A 54 8.263 -7.595 15.759 1.00 0.00 C ATOM 954 NZ LYS A 54 9.314 -8.628 15.974 1.00 0.00 N ATOM 0 H LYS A 54 6.631 -5.057 11.871 1.00 0.00 H new ATOM 0 HA LYS A 54 5.354 -4.138 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.168 -5.199 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.425 -5.018 15.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.796 -6.717 14.854 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.174 -6.727 13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.185 -8.672 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.433 -7.614 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.695 -6.604 15.896 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.482 -7.709 16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.708 -8.528 16.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.897 -9.575 15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.072 -8.504 15.273 1.00 0.00 H new ATOM 968 N ILE A 55 8.097 -2.505 13.330 1.00 0.00 N ATOM 969 CA ILE A 55 8.825 -1.254 13.486 1.00 0.00 C ATOM 970 C ILE A 55 7.908 -0.057 13.246 1.00 0.00 C ATOM 971 O ILE A 55 8.051 0.984 13.887 1.00 0.00 O ATOM 972 CB ILE A 55 10.023 -1.187 12.514 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.977 -2.358 12.764 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.755 0.140 12.660 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.057 -2.495 11.712 1.00 0.00 C ATOM 0 H ILE A 55 8.530 -3.163 12.682 1.00 0.00 H new ATOM 0 HA ILE A 55 9.197 -1.217 14.510 1.00 0.00 H new ATOM 0 HB ILE A 55 9.646 -1.260 11.494 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.446 -2.232 13.740 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.401 -3.283 12.804 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.596 0.170 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.072 0.959 12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.122 0.243 13.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.695 -3.345 11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.597 -2.653 10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.658 -1.586 11.687 1.00 0.00 H new ATOM 987 N TRP A 56 6.963 -0.216 12.320 1.00 0.00 N ATOM 988 CA TRP A 56 6.017 0.848 12.000 1.00 0.00 C ATOM 989 C TRP A 56 5.196 1.232 13.226 1.00 0.00 C ATOM 990 O TRP A 56 5.174 2.394 13.631 1.00 0.00 O ATOM 991 CB TRP A 56 5.082 0.408 10.870 1.00 0.00 C ATOM 992 CG TRP A 56 5.327 1.124 9.577 1.00 0.00 C ATOM 993 CD1 TRP A 56 6.163 0.736 8.570 1.00 0.00 C ATOM 994 CD2 TRP A 56 4.729 2.353 9.150 1.00 0.00 C ATOM 995 NE1 TRP A 56 6.125 1.651 7.546 1.00 0.00 N ATOM 996 CE2 TRP A 56 5.251 2.652 7.877 1.00 0.00 C ATOM 997 CE3 TRP A 56 3.803 3.230 9.722 1.00 0.00 C ATOM 998 CZ2 TRP A 56 4.877 3.790 7.168 1.00 0.00 C ATOM 999 CZ3 TRP A 56 3.432 4.360 9.017 1.00 0.00 C ATOM 1000 CH2 TRP A 56 3.968 4.630 7.751 1.00 0.00 C ATOM 0 H TRP A 56 6.834 -1.071 11.780 1.00 0.00 H new ATOM 0 HA TRP A 56 6.587 1.718 11.675 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.198 -0.664 10.710 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.050 0.574 11.178 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.766 -0.160 8.577 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.661 1.594 6.680 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.385 3.029 10.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.290 4.002 6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.718 5.045 9.449 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.657 5.520 7.224 1.00 0.00 H new ATOM 1011 N PHE A 57 4.523 0.246 13.812 1.00 0.00 N ATOM 1012 CA PHE A 57 3.700 0.479 14.993 1.00 0.00 C ATOM 1013 C PHE A 57 4.560 0.920 16.175 1.00 0.00 C ATOM 1014 O PHE A 57 4.083 1.609 17.077 1.00 0.00 O ATOM 1015 CB PHE A 57 2.916 -0.784 15.359 1.00 0.00 C ATOM 1016 CG PHE A 57 1.884 -1.176 14.338 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.795 -0.356 14.081 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.998 -2.367 13.639 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.157 -0.716 13.146 1.00 0.00 C ATOM 1020 CE2 PHE A 57 1.049 -2.733 12.702 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.029 -1.907 12.457 1.00 0.00 C ATOM 0 H PHE A 57 4.532 -0.721 13.488 1.00 0.00 H new ATOM 0 HA PHE A 57 2.995 1.277 14.760 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.616 -1.609 15.490 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.423 -0.629 16.319 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.690 0.575 14.618 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.839 -3.018 13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.999 -0.068 12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.151 -3.663 12.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.772 -2.191 11.727 1.00 0.00 H new ATOM 1031 N GLN A 58 5.827 0.515 16.165 1.00 0.00 N ATOM 1032 CA GLN A 58 6.752 0.868 17.234 1.00 0.00 C ATOM 1033 C GLN A 58 6.928 2.381 17.322 1.00 0.00 C ATOM 1034 O GLN A 58 6.755 2.971 18.387 1.00 0.00 O ATOM 1035 CB GLN A 58 8.106 0.198 17.006 1.00 0.00 C ATOM 1036 CG GLN A 58 8.989 0.186 18.242 1.00 0.00 C ATOM 1037 CD GLN A 58 8.362 -0.569 19.399 1.00 0.00 C ATOM 1038 OE1 GLN A 58 8.573 -1.772 19.556 1.00 0.00 O ATOM 1039 NE2 GLN A 58 7.584 0.133 20.213 1.00 0.00 N ATOM 0 H GLN A 58 6.235 -0.058 15.427 1.00 0.00 H new ATOM 0 HA GLN A 58 6.333 0.513 18.176 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.944 -0.828 16.674 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.628 0.715 16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.949 -0.268 17.994 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.191 1.212 18.549 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.437 1.128 20.045 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.133 -0.323 21.006 1.00 0.00 H new ATOM 1048 N ASN A 59 7.278 3.001 16.197 1.00 0.00 N ATOM 1049 CA ASN A 59 7.470 4.446 16.153 1.00 0.00 C ATOM 1050 C ASN A 59 6.204 5.167 16.603 1.00 0.00 C ATOM 1051 O ASN A 59 6.265 6.134 17.362 1.00 0.00 O ATOM 1052 CB ASN A 59 7.853 4.896 14.741 1.00 0.00 C ATOM 1053 CG ASN A 59 9.292 4.558 14.394 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.214 5.302 14.727 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.489 3.435 13.712 1.00 0.00 N ATOM 0 H ASN A 59 7.434 2.526 15.308 1.00 0.00 H new ATOM 0 HA ASN A 59 8.282 4.701 16.834 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.188 4.422 14.019 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.705 5.972 14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.434 3.160 13.444 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.695 2.848 13.457 1.00 0.00 H new ATOM 1062 N ARG A 60 5.060 4.687 16.128 1.00 0.00 N ATOM 1063 CA ARG A 60 3.774 5.275 16.484 1.00 0.00 C ATOM 1064 C ARG A 60 3.540 5.185 17.991 1.00 0.00 C ATOM 1065 O ARG A 60 2.755 5.944 18.554 1.00 0.00 O ATOM 1066 CB ARG A 60 2.643 4.570 15.731 1.00 0.00 C ATOM 1067 CG ARG A 60 1.271 5.178 15.976 1.00 0.00 C ATOM 1068 CD ARG A 60 0.186 4.426 15.219 1.00 0.00 C ATOM 1069 NE ARG A 60 0.401 4.462 13.774 1.00 0.00 N ATOM 1070 CZ ARG A 60 -0.352 3.801 12.899 1.00 0.00 C ATOM 1071 NH1 ARG A 60 -1.368 3.058 13.320 1.00 0.00 N ATOM 1072 NH2 ARG A 60 -0.090 3.883 11.602 1.00 0.00 N ATOM 0 H ARG A 60 4.997 3.890 15.494 1.00 0.00 H new ATOM 0 HA ARG A 60 3.786 6.327 16.199 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.857 4.598 14.663 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.623 3.520 16.024 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.050 5.162 17.043 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.274 6.223 15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.161 3.390 15.556 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.786 4.861 15.452 1.00 0.00 H new ATOM 0 HE ARG A 60 1.172 5.026 13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.573 2.993 14.317 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.944 2.552 12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.690 4.453 11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.668 3.376 10.932 1.00 0.00 H new ATOM 1086 N ARG A 61 4.228 4.244 18.632 1.00 0.00 N ATOM 1087 CA ARG A 61 4.106 4.053 20.075 1.00 0.00 C ATOM 1088 C ARG A 61 5.008 5.025 20.829 1.00 0.00 C ATOM 1089 O ARG A 61 4.628 5.558 21.872 1.00 0.00 O ATOM 1090 CB ARG A 61 4.467 2.612 20.450 1.00 0.00 C ATOM 1091 CG ARG A 61 4.419 2.333 21.945 1.00 0.00 C ATOM 1092 CD ARG A 61 3.008 2.465 22.494 1.00 0.00 C ATOM 1093 NE ARG A 61 2.066 1.595 21.796 1.00 0.00 N ATOM 1094 CZ ARG A 61 0.828 1.360 22.220 1.00 0.00 C ATOM 1095 NH1 ARG A 61 0.393 1.917 23.342 1.00 0.00 N ATOM 1096 NH2 ARG A 61 0.024 0.567 21.523 1.00 0.00 N ATOM 0 H ARG A 61 4.876 3.602 18.175 1.00 0.00 H new ATOM 0 HA ARG A 61 3.072 4.249 20.358 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.783 1.933 19.941 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.469 2.391 20.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.793 1.328 22.140 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.079 3.026 22.466 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.008 2.221 23.556 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.680 3.501 22.405 1.00 0.00 H new ATOM 0 HE ARG A 61 2.375 1.142 20.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.008 2.526 23.881 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.557 1.736 23.666 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.355 0.136 20.660 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.925 0.388 21.850 1.00 0.00 H new ATOM 1110 N MET A 62 6.205 5.246 20.293 1.00 0.00 N ATOM 1111 CA MET A 62 7.175 6.146 20.908 1.00 0.00 C ATOM 1112 C MET A 62 6.573 7.523 21.171 1.00 0.00 C ATOM 1113 O MET A 62 6.727 8.076 22.260 1.00 0.00 O ATOM 1114 CB MET A 62 8.407 6.279 20.012 1.00 0.00 C ATOM 1115 CG MET A 62 8.932 4.945 19.509 1.00 0.00 C ATOM 1116 SD MET A 62 10.517 5.093 18.663 1.00 0.00 S ATOM 1117 CE MET A 62 10.812 3.388 18.200 1.00 0.00 C ATOM 0 H MET A 62 6.528 4.811 19.429 1.00 0.00 H new ATOM 0 HA MET A 62 7.466 5.718 21.867 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.160 6.910 19.158 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.197 6.787 20.565 1.00 0.00 H new ATOM 0 HG2 MET A 62 9.037 4.260 20.351 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.202 4.505 18.829 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.776 3.309 17.697 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.817 2.764 19.094 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.023 3.052 17.527 1.00 0.00 H new ATOM 1127 N LYS A 63 5.893 8.075 20.169 1.00 0.00 N ATOM 1128 CA LYS A 63 5.273 9.390 20.303 1.00 0.00 C ATOM 1129 C LYS A 63 4.265 9.396 21.449 1.00 0.00 C ATOM 1130 O LYS A 63 4.175 10.367 22.203 1.00 0.00 O ATOM 1131 CB LYS A 63 4.587 9.796 18.997 1.00 0.00 C ATOM 1132 CG LYS A 63 3.394 8.927 18.640 1.00 0.00 C ATOM 1133 CD LYS A 63 2.733 9.387 17.351 1.00 0.00 C ATOM 1134 CE LYS A 63 1.439 8.632 17.094 1.00 0.00 C ATOM 1135 NZ LYS A 63 0.803 9.038 15.810 1.00 0.00 N ATOM 0 H LYS A 63 5.758 7.634 19.259 1.00 0.00 H new ATOM 0 HA LYS A 63 6.057 10.114 20.526 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.260 10.833 19.075 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.314 9.752 18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.716 7.891 18.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.667 8.954 19.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.528 10.456 17.406 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.417 9.236 16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.641 7.561 17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.745 8.811 17.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.076 8.500 15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.586 10.055 15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.454 8.843 15.023 1.00 0.00 H new ATOM 1149 N MET A 64 3.507 8.310 21.573 1.00 0.00 N ATOM 1150 CA MET A 64 2.516 8.191 22.633 1.00 0.00 C ATOM 1151 C MET A 64 3.202 8.022 23.984 1.00 0.00 C ATOM 1152 O MET A 64 2.590 8.214 25.035 1.00 0.00 O ATOM 1153 CB MET A 64 1.586 7.003 22.368 1.00 0.00 C ATOM 1154 CG MET A 64 0.688 7.188 21.155 1.00 0.00 C ATOM 1155 SD MET A 64 -0.373 8.641 21.289 1.00 0.00 S ATOM 1156 CE MET A 64 -1.353 8.486 19.797 1.00 0.00 C ATOM 0 H MET A 64 3.561 7.502 20.953 1.00 0.00 H new ATOM 0 HA MET A 64 1.922 9.105 22.650 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.188 6.105 22.229 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.964 6.837 23.247 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.305 7.275 20.261 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.068 6.301 21.029 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.374 9.442 19.275 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.912 7.729 19.149 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.370 8.193 20.058 1.00 0.00 H new ATOM 1166 N LYS A 65 4.483 7.662 23.942 1.00 0.00 N ATOM 1167 CA LYS A 65 5.271 7.465 25.153 1.00 0.00 C ATOM 1168 C LYS A 65 5.933 8.768 25.593 1.00 0.00 C ATOM 1169 O LYS A 65 6.492 8.853 26.687 1.00 0.00 O ATOM 1170 CB LYS A 65 6.337 6.390 24.919 1.00 0.00 C ATOM 1171 CG LYS A 65 5.775 4.978 24.837 1.00 0.00 C ATOM 1172 CD LYS A 65 5.232 4.509 26.181 1.00 0.00 C ATOM 1173 CE LYS A 65 6.348 4.301 27.193 1.00 0.00 C ATOM 1174 NZ LYS A 65 7.295 3.233 26.766 1.00 0.00 N ATOM 0 H LYS A 65 4.998 7.500 23.077 1.00 0.00 H new ATOM 0 HA LYS A 65 4.599 7.137 25.946 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.869 6.614 23.994 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.068 6.434 25.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.980 4.945 24.092 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.555 4.295 24.501 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.524 5.244 26.565 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.683 3.577 26.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.893 5.235 27.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.917 4.039 28.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.858 2.921 27.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.760 2.426 26.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.929 3.605 26.031 1.00 0.00 H new ATOM 1188 N LYS A 66 5.865 9.782 24.734 1.00 0.00 N ATOM 1189 CA LYS A 66 6.456 11.083 25.036 1.00 0.00 C ATOM 1190 C LYS A 66 5.465 11.966 25.786 1.00 0.00 C ATOM 1191 O LYS A 66 5.857 12.876 26.519 1.00 0.00 O ATOM 1192 CB LYS A 66 6.898 11.781 23.746 1.00 0.00 C ATOM 1193 CG LYS A 66 8.008 11.054 23.003 1.00 0.00 C ATOM 1194 CD LYS A 66 8.394 11.788 21.729 1.00 0.00 C ATOM 1195 CE LYS A 66 9.566 11.117 21.033 1.00 0.00 C ATOM 1196 NZ LYS A 66 9.941 11.821 19.775 1.00 0.00 N ATOM 0 H LYS A 66 5.407 9.728 23.824 1.00 0.00 H new ATOM 0 HA LYS A 66 7.328 10.919 25.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.037 11.882 23.085 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.235 12.789 23.987 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.880 10.960 23.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.683 10.043 22.758 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.539 11.821 21.054 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.653 12.820 21.967 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.423 11.094 21.706 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.310 10.082 20.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.744 11.333 19.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.131 11.821 19.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.210 12.802 19.993 1.00 0.00 H new ATOM 1210 N MET A 67 4.178 11.690 25.597 1.00 0.00 N ATOM 1211 CA MET A 67 3.125 12.455 26.252 1.00 0.00 C ATOM 1212 C MET A 67 3.120 12.197 27.757 1.00 0.00 C ATOM 1213 O MET A 67 3.365 13.105 28.552 1.00 0.00 O ATOM 1214 CB MET A 67 1.764 12.099 25.651 1.00 0.00 C ATOM 1215 CG MET A 67 0.611 12.914 26.218 1.00 0.00 C ATOM 1216 SD MET A 67 0.862 14.691 26.043 1.00 0.00 S ATOM 1217 CE MET A 67 -0.688 15.313 26.688 1.00 0.00 C ATOM 0 H MET A 67 3.840 10.940 24.994 1.00 0.00 H new ATOM 0 HA MET A 67 3.320 13.515 26.088 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.804 12.246 24.572 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.567 11.041 25.822 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.312 12.630 25.713 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.484 12.671 27.273 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.688 16.402 26.647 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.513 14.927 26.088 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.808 14.989 27.722 1.00 0.00 H new ATOM 1227 N ASN A 68 2.838 10.956 28.140 1.00 0.00 N ATOM 1228 CA ASN A 68 2.805 10.580 29.549 1.00 0.00 C ATOM 1229 C ASN A 68 4.218 10.416 30.104 1.00 0.00 C ATOM 1230 O ASN A 68 4.754 11.402 30.652 1.00 0.00 O ATOM 1231 CB ASN A 68 2.005 9.286 29.743 1.00 0.00 C ATOM 1232 CG ASN A 68 2.522 8.139 28.894 1.00 0.00 C ATOM 1233 OD1 ASN A 68 3.068 8.347 27.810 1.00 0.00 O ATOM 1234 ND2 ASN A 68 2.350 6.917 29.385 1.00 0.00 N ATOM 1235 OXT ASN A 68 4.778 9.305 29.988 1.00 0.00 O ATOM 0 H ASN A 68 2.629 10.194 27.495 1.00 0.00 H new ATOM 0 HA ASN A 68 2.312 11.382 30.099 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.039 8.998 30.794 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.959 9.471 29.497 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.676 6.106 28.859 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.892 6.790 30.288 1.00 0.00 H new TER 1242 ASN A 68