USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 26 GLN : amide:sc= 1.35 K(o=1.8,f=0.71) USER MOD Set 1.2: A 108 THR OG1 : rot 149:sc= 0.445 USER MOD Set 2.1: A 73 MET CE :methyl -172:sc=-0.00116 (180deg=-0.11) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 0.821 K(o=0.83,f=0) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.00633 K(o=0.83,f=0) USER MOD Set 4.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 59 TYR OH : rot -38:sc= 1.66 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 151:sc= 0.82 (180deg=0.0596) USER MOD Set 6.1: A 53 MET CE :methyl -179:sc= -0.633 (180deg=-0.659) USER MOD Set 6.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.541 K(o=0.54,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.22) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0617) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.0158 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.09 K(o=1.1,f=-0.47) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 71 GLN : amide:sc= 0.637 K(o=0.64,f=-0.038) USER MOD Single : A 72 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-6.5!) USER MOD Single : A 76 CYS SG : rot -90:sc= -0.0372 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -159:sc= 0.169 USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.08) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 174:sc= -0.0455 (180deg=-0.0729) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.172 K(o=-0.17,f=-6.8!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 3.889 15.103 12.298 1.00 0.00 N ATOM 2 CA GLN A 23 5.179 14.409 12.359 1.00 0.00 C ATOM 3 C GLN A 23 5.261 13.240 11.359 1.00 0.00 C ATOM 4 O GLN A 23 4.248 12.624 11.014 1.00 0.00 O ATOM 5 CB GLN A 23 5.445 13.912 13.794 1.00 0.00 C ATOM 6 CG GLN A 23 5.564 15.057 14.815 1.00 0.00 C ATOM 7 CD GLN A 23 5.872 14.534 16.217 1.00 0.00 C ATOM 8 OE1 GLN A 23 7.009 14.529 16.677 1.00 0.00 O ATOM 9 NE2 GLN A 23 4.885 14.062 16.953 1.00 0.00 N ATOM 0 HA GLN A 23 5.950 15.126 12.076 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.638 13.245 14.097 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.364 13.326 13.805 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.350 15.744 14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.634 15.625 14.835 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.933 14.058 16.587 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.074 13.701 17.888 1.00 0.00 H new ATOM 18 N ILE A 24 6.482 12.930 10.908 1.00 0.00 N ATOM 19 CA ILE A 24 6.790 11.884 9.919 1.00 0.00 C ATOM 20 C ILE A 24 7.737 10.822 10.502 1.00 0.00 C ATOM 21 O ILE A 24 8.641 11.129 11.280 1.00 0.00 O ATOM 22 CB ILE A 24 7.355 12.528 8.626 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.308 13.434 7.940 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.814 11.428 7.653 1.00 0.00 C ATOM 25 CD1 ILE A 24 6.849 14.257 6.760 1.00 0.00 C ATOM 0 H ILE A 24 7.317 13.418 11.233 1.00 0.00 H new ATOM 0 HA ILE A 24 5.868 11.364 9.659 1.00 0.00 H new ATOM 0 HB ILE A 24 8.206 13.150 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.486 12.813 7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.895 14.116 8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.210 11.886 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.591 10.826 8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.967 10.791 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.046 14.862 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.651 14.908 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.235 13.584 5.994 1.00 0.00 H new ATOM 37 N ASN A 25 7.543 9.565 10.082 1.00 0.00 N ATOM 38 CA ASN A 25 8.328 8.393 10.489 1.00 0.00 C ATOM 39 C ASN A 25 8.919 7.643 9.269 1.00 0.00 C ATOM 40 O ASN A 25 8.782 6.429 9.120 1.00 0.00 O ATOM 41 CB ASN A 25 7.449 7.495 11.373 1.00 0.00 C ATOM 42 CG ASN A 25 6.676 8.181 12.496 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.523 7.866 12.759 1.00 0.00 O ATOM 44 ND2 ASN A 25 7.256 9.124 13.206 1.00 0.00 N ATOM 0 H ASN A 25 6.803 9.327 9.421 1.00 0.00 H new ATOM 0 HA ASN A 25 9.191 8.715 11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.732 6.983 10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.084 6.728 11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.745 9.580 13.962 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.216 9.399 13.001 1.00 0.00 H new ATOM 51 N GLN A 26 9.528 8.402 8.356 1.00 0.00 N ATOM 52 CA GLN A 26 9.976 7.985 7.018 1.00 0.00 C ATOM 53 C GLN A 26 11.457 8.292 6.758 1.00 0.00 C ATOM 54 O GLN A 26 12.177 8.778 7.630 1.00 0.00 O ATOM 55 CB GLN A 26 9.091 8.610 5.942 1.00 0.00 C ATOM 56 CG GLN A 26 7.639 8.156 6.048 1.00 0.00 C ATOM 57 CD GLN A 26 7.411 6.638 6.046 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.545 6.126 6.741 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.131 5.859 5.263 1.00 0.00 N ATOM 0 H GLN A 26 9.736 9.384 8.538 1.00 0.00 H new ATOM 0 HA GLN A 26 9.878 6.900 6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.136 9.696 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.480 8.348 4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.216 8.567 6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.081 8.589 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.860 6.262 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.959 4.854 5.247 1.00 0.00 H new ATOM 68 N VAL A 27 11.908 7.948 5.549 1.00 0.00 N ATOM 69 CA VAL A 27 13.332 7.944 5.152 1.00 0.00 C ATOM 70 C VAL A 27 13.697 9.020 4.128 1.00 0.00 C ATOM 71 O VAL A 27 12.845 9.512 3.387 1.00 0.00 O ATOM 72 CB VAL A 27 13.752 6.533 4.678 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.269 6.345 4.531 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.301 5.458 5.682 1.00 0.00 C ATOM 0 H VAL A 27 11.284 7.657 4.796 1.00 0.00 H new ATOM 0 HA VAL A 27 13.903 8.204 6.043 1.00 0.00 H new ATOM 0 HB VAL A 27 13.274 6.430 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.479 5.329 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.655 7.056 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.752 6.516 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.609 4.475 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.759 5.651 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.216 5.485 5.781 1.00 0.00 H new ATOM 84 N ARG A 28 14.986 9.388 4.103 1.00 0.00 N ATOM 85 CA ARG A 28 15.584 10.316 3.140 1.00 0.00 C ATOM 86 C ARG A 28 16.111 9.625 1.863 1.00 0.00 C ATOM 87 O ARG A 28 16.763 8.583 1.966 1.00 0.00 O ATOM 88 CB ARG A 28 16.667 11.169 3.837 1.00 0.00 C ATOM 89 CG ARG A 28 17.888 10.403 4.387 1.00 0.00 C ATOM 90 CD ARG A 28 19.026 11.336 4.828 1.00 0.00 C ATOM 91 NE ARG A 28 18.606 12.278 5.890 1.00 0.00 N ATOM 92 CZ ARG A 28 18.609 13.601 5.842 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.020 14.263 4.799 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.182 14.297 6.854 1.00 0.00 N ATOM 0 H ARG A 28 15.663 9.033 4.778 1.00 0.00 H new ATOM 0 HA ARG A 28 14.792 10.977 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.023 11.917 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.201 11.708 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.576 9.792 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.259 9.722 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.863 10.738 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.384 11.900 3.967 1.00 0.00 H new ATOM 0 HE ARG A 28 18.276 11.859 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.357 13.762 3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.005 15.283 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.842 13.824 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.187 15.316 6.811 1.00 0.00 H new ATOM 108 N PRO A 29 15.868 10.184 0.662 1.00 0.00 N ATOM 109 CA PRO A 29 16.523 9.744 -0.572 1.00 0.00 C ATOM 110 C PRO A 29 18.000 10.176 -0.584 1.00 0.00 C ATOM 111 O PRO A 29 18.390 11.112 0.121 1.00 0.00 O ATOM 112 CB PRO A 29 15.726 10.399 -1.702 1.00 0.00 C ATOM 113 CG PRO A 29 15.090 11.634 -1.078 1.00 0.00 C ATOM 114 CD PRO A 29 14.952 11.284 0.400 1.00 0.00 C ATOM 0 HA PRO A 29 16.532 8.659 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.374 10.669 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.968 9.721 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.713 12.517 -1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.121 11.852 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.193 12.144 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.927 10.997 0.635 1.00 0.00 H new ATOM 122 N LYS A 30 18.823 9.528 -1.418 1.00 0.00 N ATOM 123 CA LYS A 30 20.220 9.941 -1.657 1.00 0.00 C ATOM 124 C LYS A 30 20.279 11.327 -2.323 1.00 0.00 C ATOM 125 O LYS A 30 19.332 11.742 -2.993 1.00 0.00 O ATOM 126 CB LYS A 30 20.940 8.848 -2.472 1.00 0.00 C ATOM 127 CG LYS A 30 22.467 8.855 -2.298 1.00 0.00 C ATOM 128 CD LYS A 30 23.132 7.849 -3.247 1.00 0.00 C ATOM 129 CE LYS A 30 24.648 7.815 -2.998 1.00 0.00 C ATOM 130 NZ LYS A 30 25.334 6.822 -3.870 1.00 0.00 N ATOM 0 H LYS A 30 18.544 8.703 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 30 20.744 10.046 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.554 7.873 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.703 8.978 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.854 9.855 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.720 8.610 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.708 6.857 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.931 8.125 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.067 8.805 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.838 7.572 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.355 6.831 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.953 5.873 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.174 7.068 -4.868 1.00 0.00 H new ATOM 144 N LEU A 31 21.400 12.032 -2.156 1.00 0.00 N ATOM 145 CA LEU A 31 21.616 13.423 -2.599 1.00 0.00 C ATOM 146 C LEU A 31 21.167 13.714 -4.052 1.00 0.00 C ATOM 147 O LEU A 31 20.394 14.657 -4.221 1.00 0.00 O ATOM 148 CB LEU A 31 23.091 13.822 -2.361 1.00 0.00 C ATOM 149 CG LEU A 31 23.403 14.357 -0.947 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.137 13.346 0.170 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.875 14.762 -0.871 1.00 0.00 C ATOM 0 H LEU A 31 22.218 11.639 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 31 20.964 14.049 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.722 12.954 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.368 14.583 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 31 22.734 15.203 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.380 13.795 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.085 13.059 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.756 12.462 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.097 15.140 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.502 13.895 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.077 15.540 -1.607 1.00 0.00 H new ATOM 163 N PRO A 32 21.557 12.934 -5.087 1.00 0.00 N ATOM 164 CA PRO A 32 21.097 13.136 -6.469 1.00 0.00 C ATOM 165 C PRO A 32 19.600 13.215 -6.668 1.00 0.00 C ATOM 166 O PRO A 32 19.107 14.080 -7.395 1.00 0.00 O ATOM 167 CB PRO A 32 21.693 11.998 -7.308 1.00 0.00 C ATOM 168 CG PRO A 32 22.451 11.106 -6.324 1.00 0.00 C ATOM 169 CD PRO A 32 22.646 11.967 -5.084 1.00 0.00 C ATOM 0 HA PRO A 32 21.441 14.122 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.910 11.438 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.361 12.387 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.886 10.203 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.408 10.786 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.624 11.359 -4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.613 12.469 -5.107 1.00 0.00 H new ATOM 177 N LEU A 33 18.876 12.339 -5.992 1.00 0.00 N ATOM 178 CA LEU A 33 17.433 12.353 -6.031 1.00 0.00 C ATOM 179 C LEU A 33 16.860 13.489 -5.170 1.00 0.00 C ATOM 180 O LEU A 33 16.043 14.263 -5.663 1.00 0.00 O ATOM 181 CB LEU A 33 17.007 10.940 -5.655 1.00 0.00 C ATOM 182 CG LEU A 33 15.533 10.827 -5.359 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.589 11.179 -6.509 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.214 9.386 -4.966 1.00 0.00 C ATOM 0 H LEU A 33 19.273 11.605 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 33 17.024 12.586 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.261 10.261 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.573 10.616 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 33 15.360 11.557 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.556 11.062 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.757 12.212 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.779 10.515 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.150 9.295 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.476 8.718 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.788 9.115 -4.080 1.00 0.00 H new ATOM 196 N LEU A 34 17.328 13.655 -3.927 1.00 0.00 N ATOM 197 CA LEU A 34 16.880 14.721 -3.014 1.00 0.00 C ATOM 198 C LEU A 34 17.019 16.120 -3.637 1.00 0.00 C ATOM 199 O LEU A 34 16.153 16.967 -3.425 1.00 0.00 O ATOM 200 CB LEU A 34 17.709 14.618 -1.714 1.00 0.00 C ATOM 201 CG LEU A 34 17.312 15.594 -0.586 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.867 15.406 -0.117 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.225 15.367 0.619 1.00 0.00 C ATOM 0 H LEU A 34 18.038 13.046 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 34 15.819 14.585 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.628 13.600 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.758 14.784 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 34 17.412 16.601 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.646 16.120 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.188 15.572 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.736 14.392 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.949 16.054 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.117 14.340 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.261 15.545 0.329 1.00 0.00 H new ATOM 215 N LYS A 35 18.046 16.349 -4.468 1.00 0.00 N ATOM 216 CA LYS A 35 18.243 17.592 -5.219 1.00 0.00 C ATOM 217 C LYS A 35 17.034 17.997 -6.063 1.00 0.00 C ATOM 218 O LYS A 35 16.681 19.166 -6.051 1.00 0.00 O ATOM 219 CB LYS A 35 19.504 17.459 -6.099 1.00 0.00 C ATOM 220 CG LYS A 35 20.282 18.780 -6.151 1.00 0.00 C ATOM 221 CD LYS A 35 21.039 19.059 -4.840 1.00 0.00 C ATOM 222 CE LYS A 35 22.316 18.212 -4.717 1.00 0.00 C ATOM 223 NZ LYS A 35 23.167 18.670 -3.582 1.00 0.00 N ATOM 0 H LYS A 35 18.777 15.659 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 35 18.372 18.392 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.145 16.671 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.218 17.162 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.991 18.750 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.591 19.599 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.300 20.116 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.385 18.852 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.047 17.165 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.884 18.270 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.020 18.078 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.443 19.661 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.633 18.591 -2.693 1.00 0.00 H new ATOM 237 N ILE A 36 16.356 17.052 -6.719 1.00 0.00 N ATOM 238 CA ILE A 36 15.130 17.308 -7.507 1.00 0.00 C ATOM 239 C ILE A 36 14.014 17.832 -6.581 1.00 0.00 C ATOM 240 O ILE A 36 13.392 18.857 -6.846 1.00 0.00 O ATOM 241 CB ILE A 36 14.650 16.018 -8.194 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.763 15.373 -9.032 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.404 16.313 -9.041 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.497 16.291 -10.007 1.00 0.00 C ATOM 0 H ILE A 36 16.640 16.072 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 36 15.360 18.053 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 36 14.383 15.295 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.497 14.941 -8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.330 14.549 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.068 15.396 -9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.610 16.696 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.648 17.056 -9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.258 15.721 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.786 16.705 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.971 17.103 -9.456 1.00 0.00 H new ATOM 256 N LEU A 37 13.784 17.131 -5.462 1.00 0.00 N ATOM 257 CA LEU A 37 12.730 17.418 -4.476 1.00 0.00 C ATOM 258 C LEU A 37 12.944 18.801 -3.844 1.00 0.00 C ATOM 259 O LEU A 37 12.021 19.603 -3.736 1.00 0.00 O ATOM 260 CB LEU A 37 12.744 16.338 -3.367 1.00 0.00 C ATOM 261 CG LEU A 37 12.173 14.946 -3.687 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.745 14.230 -4.906 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.413 14.049 -2.475 1.00 0.00 C ATOM 0 H LEU A 37 14.347 16.319 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 37 11.767 17.409 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.777 16.206 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.194 16.733 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 37 11.123 15.123 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.259 13.261 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.569 14.832 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.817 14.084 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.017 13.053 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.483 13.981 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.911 14.471 -1.605 1.00 0.00 H new ATOM 275 N HIS A 38 14.184 19.106 -3.464 1.00 0.00 N ATOM 276 CA HIS A 38 14.571 20.395 -2.884 1.00 0.00 C ATOM 277 C HIS A 38 14.526 21.522 -3.917 1.00 0.00 C ATOM 278 O HIS A 38 13.961 22.575 -3.626 1.00 0.00 O ATOM 279 CB HIS A 38 15.940 20.231 -2.206 1.00 0.00 C ATOM 280 CG HIS A 38 15.850 19.648 -0.809 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.830 19.763 0.182 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.759 19.026 -0.268 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.302 19.215 1.292 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.055 18.771 1.052 1.00 0.00 N ATOM 0 H HIS A 38 14.963 18.454 -3.551 1.00 0.00 H new ATOM 0 HA HIS A 38 13.850 20.696 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.568 19.587 -2.822 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.432 21.202 -2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.840 18.781 -0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.809 19.142 2.243 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.437 18.324 1.729 1.00 0.00 H new ATOM 292 N ALA A 39 14.961 21.266 -5.155 1.00 0.00 N ATOM 293 CA ALA A 39 14.818 22.176 -6.290 1.00 0.00 C ATOM 294 C ALA A 39 13.341 22.487 -6.607 1.00 0.00 C ATOM 295 O ALA A 39 13.039 23.548 -7.159 1.00 0.00 O ATOM 296 CB ALA A 39 15.557 21.561 -7.487 1.00 0.00 C ATOM 0 H ALA A 39 15.435 20.396 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 39 15.262 23.141 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.466 22.221 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.610 21.433 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.120 20.591 -7.725 1.00 0.00 H new ATOM 302 N ALA A 40 12.418 21.604 -6.202 1.00 0.00 N ATOM 303 CA ALA A 40 10.984 21.856 -6.238 1.00 0.00 C ATOM 304 C ALA A 40 10.443 22.626 -5.016 1.00 0.00 C ATOM 305 O ALA A 40 9.392 23.258 -5.131 1.00 0.00 O ATOM 306 CB ALA A 40 10.247 20.521 -6.381 1.00 0.00 C ATOM 0 H ALA A 40 12.658 20.683 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 40 10.803 22.503 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.172 20.700 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.557 20.031 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.486 19.881 -5.532 1.00 0.00 H new ATOM 312 N GLY A 41 11.105 22.549 -3.852 1.00 0.00 N ATOM 313 CA GLY A 41 10.614 23.084 -2.575 1.00 0.00 C ATOM 314 C GLY A 41 9.833 22.051 -1.749 1.00 0.00 C ATOM 315 O GLY A 41 8.632 22.215 -1.519 1.00 0.00 O ATOM 0 H GLY A 41 12.018 22.102 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.460 23.444 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.973 23.944 -2.771 1.00 0.00 H new ATOM 319 N ALA A 42 10.507 20.978 -1.320 1.00 0.00 N ATOM 320 CA ALA A 42 9.948 19.946 -0.437 1.00 0.00 C ATOM 321 C ALA A 42 9.724 20.433 1.012 1.00 0.00 C ATOM 322 O ALA A 42 10.291 21.439 1.447 1.00 0.00 O ATOM 323 CB ALA A 42 10.844 18.706 -0.487 1.00 0.00 C ATOM 0 H ALA A 42 11.476 20.798 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 42 8.953 19.694 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.435 17.935 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.888 18.330 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.848 18.969 -0.154 1.00 0.00 H new ATOM 329 N GLN A 43 8.919 19.683 1.777 1.00 0.00 N ATOM 330 CA GLN A 43 8.496 20.024 3.148 1.00 0.00 C ATOM 331 C GLN A 43 9.347 19.330 4.239 1.00 0.00 C ATOM 332 O GLN A 43 8.877 19.058 5.346 1.00 0.00 O ATOM 333 CB GLN A 43 6.976 19.783 3.264 1.00 0.00 C ATOM 334 CG GLN A 43 6.274 20.588 4.373 1.00 0.00 C ATOM 335 CD GLN A 43 6.371 22.102 4.174 1.00 0.00 C ATOM 336 OE1 GLN A 43 7.179 22.789 4.787 1.00 0.00 O ATOM 337 NE2 GLN A 43 5.567 22.684 3.306 1.00 0.00 N ATOM 0 H GLN A 43 8.532 18.797 1.453 1.00 0.00 H new ATOM 0 HA GLN A 43 8.684 21.081 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.511 20.026 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.804 18.721 3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.223 20.300 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.712 20.326 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.888 22.127 2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.624 23.691 3.154 1.00 0.00 H new ATOM 346 N GLY A 44 10.604 19.012 3.917 1.00 0.00 N ATOM 347 CA GLY A 44 11.537 18.297 4.797 1.00 0.00 C ATOM 348 C GLY A 44 12.622 17.524 4.045 1.00 0.00 C ATOM 349 O GLY A 44 12.961 17.837 2.901 1.00 0.00 O ATOM 0 H GLY A 44 11.013 19.250 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.012 19.014 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.974 17.602 5.421 1.00 0.00 H new ATOM 353 N GLU A 45 13.156 16.493 4.702 1.00 0.00 N ATOM 354 CA GLU A 45 14.122 15.536 4.132 1.00 0.00 C ATOM 355 C GLU A 45 13.667 14.067 4.239 1.00 0.00 C ATOM 356 O GLU A 45 14.315 13.194 3.672 1.00 0.00 O ATOM 357 CB GLU A 45 15.482 15.700 4.829 1.00 0.00 C ATOM 358 CG GLU A 45 16.103 17.094 4.684 1.00 0.00 C ATOM 359 CD GLU A 45 17.520 17.085 5.282 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.667 17.039 6.526 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.512 16.998 4.522 1.00 0.00 O ATOM 0 H GLU A 45 12.925 16.290 5.675 1.00 0.00 H new ATOM 0 HA GLU A 45 14.199 15.766 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.363 15.477 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.175 14.963 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.141 17.380 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.486 17.834 5.193 1.00 0.00 H new ATOM 368 N MET A 46 12.578 13.777 4.962 1.00 0.00 N ATOM 369 CA MET A 46 12.090 12.424 5.284 1.00 0.00 C ATOM 370 C MET A 46 10.642 12.261 4.805 1.00 0.00 C ATOM 371 O MET A 46 9.767 13.007 5.244 1.00 0.00 O ATOM 372 CB MET A 46 12.173 12.206 6.804 1.00 0.00 C ATOM 373 CG MET A 46 13.625 12.101 7.284 1.00 0.00 C ATOM 374 SD MET A 46 13.837 11.759 9.056 1.00 0.00 S ATOM 375 CE MET A 46 13.181 13.286 9.788 1.00 0.00 C ATOM 0 H MET A 46 11.986 14.508 5.357 1.00 0.00 H new ATOM 0 HA MET A 46 12.708 11.683 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.679 13.031 7.317 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.635 11.296 7.071 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.121 11.313 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.136 13.034 7.048 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.358 13.279 10.864 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.681 14.147 9.344 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.110 13.350 9.597 1.00 0.00 H new ATOM 385 N PHE A 47 10.384 11.302 3.906 1.00 0.00 N ATOM 386 CA PHE A 47 9.062 11.118 3.271 1.00 0.00 C ATOM 387 C PHE A 47 8.840 9.701 2.703 1.00 0.00 C ATOM 388 O PHE A 47 9.779 8.934 2.485 1.00 0.00 O ATOM 389 CB PHE A 47 8.826 12.158 2.147 1.00 0.00 C ATOM 390 CG PHE A 47 9.921 13.172 1.878 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.211 12.737 1.520 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.652 14.549 1.994 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.219 13.679 1.271 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.654 15.491 1.709 1.00 0.00 C ATOM 395 CZ PHE A 47 11.939 15.056 1.341 1.00 0.00 C ATOM 0 H PHE A 47 11.084 10.628 3.595 1.00 0.00 H new ATOM 0 HA PHE A 47 8.339 11.266 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.639 11.614 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.914 12.706 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.423 11.681 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.672 14.882 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.216 13.346 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.438 16.547 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.710 15.777 1.112 1.00 0.00 H new ATOM 405 N THR A 48 7.577 9.353 2.450 1.00 0.00 N ATOM 406 CA THR A 48 7.151 8.143 1.709 1.00 0.00 C ATOM 407 C THR A 48 7.319 8.304 0.190 1.00 0.00 C ATOM 408 O THR A 48 7.439 9.421 -0.304 1.00 0.00 O ATOM 409 CB THR A 48 5.669 7.838 1.998 1.00 0.00 C ATOM 410 OG1 THR A 48 4.948 9.041 1.882 1.00 0.00 O ATOM 411 CG2 THR A 48 5.433 7.282 3.394 1.00 0.00 C ATOM 0 H THR A 48 6.788 9.919 2.762 1.00 0.00 H new ATOM 0 HA THR A 48 7.789 7.327 2.048 1.00 0.00 H new ATOM 0 HB THR A 48 5.344 7.081 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.035 8.908 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.369 7.089 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.990 6.353 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.771 8.006 4.136 1.00 0.00 H new ATOM 419 N VAL A 49 7.231 7.201 -0.573 1.00 0.00 N ATOM 420 CA VAL A 49 7.263 7.131 -2.054 1.00 0.00 C ATOM 421 C VAL A 49 6.218 8.084 -2.659 1.00 0.00 C ATOM 422 O VAL A 49 6.502 8.859 -3.576 1.00 0.00 O ATOM 423 CB VAL A 49 7.046 5.679 -2.541 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.885 5.576 -4.064 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.251 4.809 -2.156 1.00 0.00 C ATOM 0 H VAL A 49 7.129 6.277 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 49 8.248 7.450 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 49 6.128 5.338 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.736 4.533 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.023 6.163 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.782 5.958 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.089 3.789 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.152 5.211 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.368 4.809 -1.072 1.00 0.00 H new ATOM 435 N LYS A 50 5.015 8.076 -2.073 1.00 0.00 N ATOM 436 CA LYS A 50 3.872 8.880 -2.487 1.00 0.00 C ATOM 437 C LYS A 50 4.052 10.385 -2.232 1.00 0.00 C ATOM 438 O LYS A 50 3.571 11.194 -3.023 1.00 0.00 O ATOM 439 CB LYS A 50 2.638 8.257 -1.816 1.00 0.00 C ATOM 440 CG LYS A 50 2.520 8.500 -0.302 1.00 0.00 C ATOM 441 CD LYS A 50 1.231 7.949 0.325 1.00 0.00 C ATOM 442 CE LYS A 50 1.113 6.421 0.215 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.116 5.918 0.889 1.00 0.00 N ATOM 0 H LYS A 50 4.809 7.485 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 50 3.752 8.853 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.744 8.649 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.652 7.182 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.376 8.045 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.574 9.572 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.194 8.236 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.371 8.410 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.097 6.131 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.991 5.954 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.164 4.883 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.089 6.174 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.954 6.345 0.446 1.00 0.00 H new ATOM 457 N GLU A 51 4.804 10.764 -1.194 1.00 0.00 N ATOM 458 CA GLU A 51 5.198 12.159 -0.953 1.00 0.00 C ATOM 459 C GLU A 51 6.380 12.579 -1.836 1.00 0.00 C ATOM 460 O GLU A 51 6.305 13.624 -2.480 1.00 0.00 O ATOM 461 CB GLU A 51 5.539 12.377 0.527 1.00 0.00 C ATOM 462 CG GLU A 51 4.329 12.304 1.463 1.00 0.00 C ATOM 463 CD GLU A 51 3.364 13.491 1.273 1.00 0.00 C ATOM 464 OE1 GLU A 51 3.534 14.534 1.951 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.411 13.387 0.461 1.00 0.00 O ATOM 0 H GLU A 51 5.158 10.112 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 51 4.346 12.786 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.269 11.629 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.014 13.351 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.793 11.372 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.674 12.282 2.497 1.00 0.00 H new ATOM 472 N VAL A 52 7.444 11.766 -1.939 1.00 0.00 N ATOM 473 CA VAL A 52 8.616 12.110 -2.761 1.00 0.00 C ATOM 474 C VAL A 52 8.250 12.347 -4.222 1.00 0.00 C ATOM 475 O VAL A 52 8.664 13.339 -4.823 1.00 0.00 O ATOM 476 CB VAL A 52 9.753 11.083 -2.691 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.428 11.079 -1.319 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.416 9.663 -3.080 1.00 0.00 C ATOM 0 H VAL A 52 7.517 10.866 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 52 8.982 13.038 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 52 10.434 11.439 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.228 10.339 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.844 12.066 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.694 10.830 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.305 9.039 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.635 9.281 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.065 9.642 -4.112 1.00 0.00 H new ATOM 488 N MET A 53 7.440 11.451 -4.782 1.00 0.00 N ATOM 489 CA MET A 53 7.002 11.547 -6.175 1.00 0.00 C ATOM 490 C MET A 53 6.047 12.731 -6.428 1.00 0.00 C ATOM 491 O MET A 53 6.048 13.277 -7.529 1.00 0.00 O ATOM 492 CB MET A 53 6.499 10.181 -6.681 1.00 0.00 C ATOM 493 CG MET A 53 5.028 9.852 -6.388 1.00 0.00 C ATOM 494 SD MET A 53 3.791 10.685 -7.431 1.00 0.00 S ATOM 495 CE MET A 53 4.228 10.057 -9.080 1.00 0.00 C ATOM 0 H MET A 53 7.069 10.640 -4.286 1.00 0.00 H new ATOM 0 HA MET A 53 7.867 11.794 -6.790 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.652 10.137 -7.759 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.120 9.402 -6.239 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.892 8.775 -6.490 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.822 10.103 -5.347 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.564 10.497 -9.824 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.259 10.325 -9.310 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.123 8.972 -9.096 1.00 0.00 H new ATOM 505 N HIS A 54 5.316 13.224 -5.417 1.00 0.00 N ATOM 506 CA HIS A 54 4.477 14.429 -5.550 1.00 0.00 C ATOM 507 C HIS A 54 5.311 15.686 -5.830 1.00 0.00 C ATOM 508 O HIS A 54 4.925 16.522 -6.651 1.00 0.00 O ATOM 509 CB HIS A 54 3.626 14.622 -4.288 1.00 0.00 C ATOM 510 CG HIS A 54 2.681 15.795 -4.388 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.470 15.808 -5.088 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.891 17.029 -3.843 1.00 0.00 C ATOM 513 CE1 HIS A 54 0.977 17.051 -4.945 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.809 17.804 -4.203 1.00 0.00 N ATOM 0 H HIS A 54 5.288 12.803 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 54 3.821 14.279 -6.408 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.052 13.715 -4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.284 14.765 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.738 17.337 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.044 17.396 -5.366 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.664 18.781 -3.950 1.00 0.00 H new ATOM 522 N TYR A 55 6.501 15.787 -5.225 1.00 0.00 N ATOM 523 CA TYR A 55 7.453 16.860 -5.534 1.00 0.00 C ATOM 524 C TYR A 55 7.934 16.820 -6.990 1.00 0.00 C ATOM 525 O TYR A 55 8.259 17.874 -7.519 1.00 0.00 O ATOM 526 CB TYR A 55 8.643 16.876 -4.564 1.00 0.00 C ATOM 527 CG TYR A 55 8.251 16.954 -3.101 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.511 18.049 -2.618 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.587 15.903 -2.233 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.030 18.049 -1.293 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.133 15.907 -0.902 1.00 0.00 C ATOM 532 CZ TYR A 55 7.336 16.971 -0.432 1.00 0.00 C ATOM 533 OH TYR A 55 6.886 16.962 0.853 1.00 0.00 O ATOM 0 H TYR A 55 6.829 15.133 -4.514 1.00 0.00 H new ATOM 0 HA TYR A 55 6.904 17.792 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.238 15.977 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.281 17.727 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.311 18.891 -3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.198 15.087 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.428 18.872 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.395 15.095 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 55 7.190 16.145 1.300 1.00 0.00 H new ATOM 543 N LEU A 56 7.947 15.665 -7.672 1.00 0.00 N ATOM 544 CA LEU A 56 8.231 15.612 -9.117 1.00 0.00 C ATOM 545 C LEU A 56 7.134 16.326 -9.919 1.00 0.00 C ATOM 546 O LEU A 56 7.444 17.129 -10.793 1.00 0.00 O ATOM 547 CB LEU A 56 8.356 14.164 -9.622 1.00 0.00 C ATOM 548 CG LEU A 56 9.334 13.262 -8.865 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.149 11.818 -9.320 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.785 13.682 -9.077 1.00 0.00 C ATOM 0 H LEU A 56 7.765 14.755 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 56 9.184 16.120 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.369 13.703 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.657 14.192 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 56 9.116 13.356 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.845 11.175 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.127 11.500 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.342 11.746 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.442 13.013 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.028 13.629 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.923 14.704 -8.723 1.00 0.00 H new ATOM 562 N GLY A 57 5.860 16.099 -9.585 1.00 0.00 N ATOM 563 CA GLY A 57 4.733 16.784 -10.225 1.00 0.00 C ATOM 564 C GLY A 57 4.822 18.303 -10.068 1.00 0.00 C ATOM 565 O GLY A 57 4.776 19.036 -11.060 1.00 0.00 O ATOM 0 H GLY A 57 5.581 15.435 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.709 16.530 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.799 16.429 -9.790 1.00 0.00 H new ATOM 569 N GLN A 58 5.089 18.784 -8.845 1.00 0.00 N ATOM 570 CA GLN A 58 5.291 20.219 -8.604 1.00 0.00 C ATOM 571 C GLN A 58 6.580 20.743 -9.261 1.00 0.00 C ATOM 572 O GLN A 58 6.576 21.860 -9.771 1.00 0.00 O ATOM 573 CB GLN A 58 5.178 20.563 -7.104 1.00 0.00 C ATOM 574 CG GLN A 58 6.514 20.757 -6.360 1.00 0.00 C ATOM 575 CD GLN A 58 6.331 20.992 -4.856 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.423 20.483 -4.213 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.209 21.739 -4.223 1.00 0.00 N ATOM 0 H GLN A 58 5.170 18.202 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 58 4.479 20.754 -9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.591 21.476 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.620 19.768 -6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.140 19.877 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.045 21.604 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.975 22.174 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.124 21.884 -3.217 1.00 0.00 H new ATOM 586 N TYR A 59 7.659 19.947 -9.302 1.00 0.00 N ATOM 587 CA TYR A 59 8.916 20.298 -9.965 1.00 0.00 C ATOM 588 C TYR A 59 8.675 20.546 -11.453 1.00 0.00 C ATOM 589 O TYR A 59 9.034 21.591 -11.976 1.00 0.00 O ATOM 590 CB TYR A 59 9.949 19.175 -9.806 1.00 0.00 C ATOM 591 CG TYR A 59 11.283 19.445 -10.465 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.481 19.108 -11.819 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.332 20.006 -9.719 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.751 19.258 -12.408 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.597 20.166 -10.307 1.00 0.00 C ATOM 596 CZ TYR A 59 13.817 19.767 -11.635 1.00 0.00 C ATOM 597 OH TYR A 59 15.056 19.940 -12.153 1.00 0.00 O ATOM 0 H TYR A 59 7.679 19.025 -8.866 1.00 0.00 H new ATOM 0 HA TYR A 59 9.300 21.205 -9.497 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.113 18.999 -8.743 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.534 18.256 -10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.656 18.733 -12.407 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.166 20.313 -8.697 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.908 18.986 -13.441 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.405 20.598 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 59 15.262 19.201 -12.763 1.00 0.00 H new ATOM 607 N ILE A 60 8.010 19.616 -12.140 1.00 0.00 N ATOM 608 CA ILE A 60 7.694 19.746 -13.567 1.00 0.00 C ATOM 609 C ILE A 60 6.766 20.939 -13.790 1.00 0.00 C ATOM 610 O ILE A 60 6.971 21.695 -14.733 1.00 0.00 O ATOM 611 CB ILE A 60 7.059 18.442 -14.080 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.023 17.246 -13.955 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.589 18.589 -15.538 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.228 15.950 -13.785 1.00 0.00 C ATOM 0 H ILE A 60 7.674 18.748 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 60 8.611 19.923 -14.129 1.00 0.00 H new ATOM 0 HB ILE A 60 6.192 18.244 -13.450 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.653 17.182 -14.842 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.686 17.390 -13.102 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.145 17.652 -15.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.848 19.386 -15.603 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.441 18.834 -16.172 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.917 15.110 -13.697 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.617 16.014 -12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.584 15.802 -14.652 1.00 0.00 H new ATOM 626 N MET A 61 5.791 21.156 -12.907 1.00 0.00 N ATOM 627 CA MET A 61 4.870 22.289 -12.996 1.00 0.00 C ATOM 628 C MET A 61 5.585 23.651 -12.842 1.00 0.00 C ATOM 629 O MET A 61 5.293 24.577 -13.599 1.00 0.00 O ATOM 630 CB MET A 61 3.760 22.073 -11.955 1.00 0.00 C ATOM 631 CG MET A 61 2.593 23.051 -12.109 1.00 0.00 C ATOM 632 SD MET A 61 1.662 22.866 -13.657 1.00 0.00 S ATOM 633 CE MET A 61 1.696 24.583 -14.238 1.00 0.00 C ATOM 0 H MET A 61 5.617 20.548 -12.107 1.00 0.00 H new ATOM 0 HA MET A 61 4.430 22.330 -13.992 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.385 21.053 -12.039 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.183 22.176 -10.956 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.910 22.918 -11.270 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.977 24.069 -12.049 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.165 24.656 -15.187 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.214 25.226 -13.502 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.730 24.900 -14.375 1.00 0.00 H new ATOM 643 N VAL A 62 6.565 23.775 -11.931 1.00 0.00 N ATOM 644 CA VAL A 62 7.362 25.010 -11.741 1.00 0.00 C ATOM 645 C VAL A 62 8.454 25.192 -12.800 1.00 0.00 C ATOM 646 O VAL A 62 8.677 26.307 -13.271 1.00 0.00 O ATOM 647 CB VAL A 62 7.914 25.106 -10.303 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.049 24.141 -9.953 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.447 26.502 -9.997 1.00 0.00 C ATOM 0 H VAL A 62 6.832 23.020 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 62 6.679 25.847 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 62 7.042 24.841 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.355 24.299 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.705 23.114 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.897 24.321 -10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.827 26.531 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.252 26.744 -10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.643 27.230 -10.106 1.00 0.00 H new ATOM 659 N LYS A 63 9.098 24.097 -13.222 1.00 0.00 N ATOM 660 CA LYS A 63 10.060 24.053 -14.342 1.00 0.00 C ATOM 661 C LYS A 63 9.411 24.065 -15.741 1.00 0.00 C ATOM 662 O LYS A 63 10.132 24.233 -16.720 1.00 0.00 O ATOM 663 CB LYS A 63 10.973 22.823 -14.198 1.00 0.00 C ATOM 664 CG LYS A 63 11.856 22.801 -12.945 1.00 0.00 C ATOM 665 CD LYS A 63 12.826 23.981 -12.813 1.00 0.00 C ATOM 666 CE LYS A 63 13.821 23.710 -11.674 1.00 0.00 C ATOM 667 NZ LYS A 63 15.012 22.937 -12.140 1.00 0.00 N ATOM 0 H LYS A 63 8.963 23.186 -12.783 1.00 0.00 H new ATOM 0 HA LYS A 63 10.639 24.974 -14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.351 21.928 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.616 22.765 -15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.212 22.780 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.431 21.875 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.363 24.129 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.272 24.899 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.149 24.658 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.320 23.158 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.835 23.181 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.818 21.918 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.212 23.173 -13.133 1.00 0.00 H new ATOM 681 N GLN A 64 8.086 23.876 -15.832 1.00 0.00 N ATOM 682 CA GLN A 64 7.235 23.647 -17.011 1.00 0.00 C ATOM 683 C GLN A 64 7.902 22.748 -18.064 1.00 0.00 C ATOM 684 O GLN A 64 8.182 23.173 -19.187 1.00 0.00 O ATOM 685 CB GLN A 64 6.582 24.939 -17.532 1.00 0.00 C ATOM 686 CG GLN A 64 7.590 26.061 -17.776 1.00 0.00 C ATOM 687 CD GLN A 64 7.680 27.067 -16.627 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.700 27.662 -16.193 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.858 27.308 -16.092 1.00 0.00 N ATOM 0 H GLN A 64 7.520 23.880 -14.984 1.00 0.00 H new ATOM 0 HA GLN A 64 6.382 23.051 -16.687 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.054 24.724 -18.461 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.836 25.278 -16.813 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.574 25.623 -17.942 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.318 26.590 -18.690 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.685 26.823 -16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.944 27.980 -15.330 1.00 0.00 H new ATOM 698 N LEU A 65 8.166 21.485 -17.686 1.00 0.00 N ATOM 699 CA LEU A 65 8.881 20.533 -18.542 1.00 0.00 C ATOM 700 C LEU A 65 7.959 19.787 -19.521 1.00 0.00 C ATOM 701 O LEU A 65 8.424 18.909 -20.238 1.00 0.00 O ATOM 702 CB LEU A 65 9.806 19.578 -17.743 1.00 0.00 C ATOM 703 CG LEU A 65 10.907 20.226 -16.882 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.779 19.144 -16.251 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.819 21.155 -17.684 1.00 0.00 C ATOM 0 H LEU A 65 7.890 21.101 -16.782 1.00 0.00 H new ATOM 0 HA LEU A 65 9.540 21.140 -19.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.181 18.969 -17.090 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.284 18.900 -18.450 1.00 0.00 H new ATOM 0 HG LEU A 65 10.394 20.817 -16.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.555 19.610 -15.644 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.163 18.501 -15.622 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.243 18.547 -17.036 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.574 21.582 -17.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.308 20.589 -18.477 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.226 21.957 -18.123 1.00 0.00 H new ATOM 717 N TYR A 66 6.658 20.084 -19.551 1.00 0.00 N ATOM 718 CA TYR A 66 5.667 19.310 -20.303 1.00 0.00 C ATOM 719 C TYR A 66 5.321 19.904 -21.684 1.00 0.00 C ATOM 720 O TYR A 66 5.491 21.102 -21.926 1.00 0.00 O ATOM 721 CB TYR A 66 4.415 19.060 -19.453 1.00 0.00 C ATOM 722 CG TYR A 66 3.806 20.332 -18.905 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.303 20.860 -17.703 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.822 21.025 -19.629 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.826 22.094 -17.220 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.365 22.276 -19.171 1.00 0.00 C ATOM 727 CZ TYR A 66 2.865 22.814 -17.964 1.00 0.00 C ATOM 728 OH TYR A 66 2.444 24.031 -17.522 1.00 0.00 O ATOM 0 H TYR A 66 6.258 20.877 -19.049 1.00 0.00 H new ATOM 0 HA TYR A 66 6.133 18.350 -20.523 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.672 18.539 -20.056 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.672 18.401 -18.624 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.054 20.318 -17.147 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.417 20.599 -20.535 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.194 22.488 -16.284 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.631 22.825 -19.743 1.00 0.00 H new ATOM 0 HH TYR A 66 1.783 24.395 -18.147 1.00 0.00 H new ATOM 738 N ASP A 67 4.812 19.069 -22.594 1.00 0.00 N ATOM 739 CA ASP A 67 4.398 19.475 -23.945 1.00 0.00 C ATOM 740 C ASP A 67 3.103 20.301 -23.944 1.00 0.00 C ATOM 741 O ASP A 67 2.078 19.867 -23.415 1.00 0.00 O ATOM 742 CB ASP A 67 4.179 18.243 -24.834 1.00 0.00 C ATOM 743 CG ASP A 67 4.250 18.564 -26.339 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.872 19.692 -26.739 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.677 17.684 -27.124 1.00 0.00 O ATOM 0 H ASP A 67 4.673 18.075 -22.412 1.00 0.00 H new ATOM 0 HA ASP A 67 5.205 20.095 -24.335 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.930 17.490 -24.593 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.206 17.807 -24.607 1.00 0.00 H new ATOM 750 N GLN A 68 3.110 21.446 -24.629 1.00 0.00 N ATOM 751 CA GLN A 68 1.924 22.272 -24.879 1.00 0.00 C ATOM 752 C GLN A 68 0.777 21.511 -25.583 1.00 0.00 C ATOM 753 O GLN A 68 -0.393 21.732 -25.266 1.00 0.00 O ATOM 754 CB GLN A 68 2.255 23.530 -25.708 1.00 0.00 C ATOM 755 CG GLN A 68 3.719 23.874 -26.062 1.00 0.00 C ATOM 756 CD GLN A 68 4.074 23.491 -27.502 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.111 24.331 -28.393 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.305 22.237 -27.831 1.00 0.00 N ATOM 0 H GLN A 68 3.960 21.835 -25.036 1.00 0.00 H new ATOM 0 HA GLN A 68 1.584 22.562 -23.885 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.708 23.449 -26.647 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.844 24.386 -25.172 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.883 24.942 -25.922 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.388 23.356 -25.375 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.283 21.510 -27.116 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.506 21.993 -28.801 1.00 0.00 H new ATOM 767 N GLN A 69 1.097 20.629 -26.542 1.00 0.00 N ATOM 768 CA GLN A 69 0.100 19.858 -27.305 1.00 0.00 C ATOM 769 C GLN A 69 -0.513 18.702 -26.490 1.00 0.00 C ATOM 770 O GLN A 69 -1.649 18.302 -26.751 1.00 0.00 O ATOM 771 CB GLN A 69 0.724 19.309 -28.606 1.00 0.00 C ATOM 772 CG GLN A 69 0.634 20.252 -29.819 1.00 0.00 C ATOM 773 CD GLN A 69 1.594 21.439 -29.774 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.731 21.372 -30.225 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.176 22.579 -29.260 1.00 0.00 N ATOM 0 H GLN A 69 2.060 20.429 -26.812 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.709 20.547 -27.546 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.773 19.080 -28.420 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.233 18.369 -28.858 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.829 19.678 -30.724 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.386 20.629 -29.895 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.232 22.652 -28.880 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.797 23.388 -29.242 1.00 0.00 H new ATOM 784 N GLU A 70 0.218 18.164 -25.508 1.00 0.00 N ATOM 785 CA GLU A 70 -0.217 17.036 -24.672 1.00 0.00 C ATOM 786 C GLU A 70 0.484 17.093 -23.305 1.00 0.00 C ATOM 787 O GLU A 70 1.597 16.595 -23.121 1.00 0.00 O ATOM 788 CB GLU A 70 0.025 15.716 -25.430 1.00 0.00 C ATOM 789 CG GLU A 70 -0.367 14.481 -24.623 1.00 0.00 C ATOM 790 CD GLU A 70 -0.141 13.138 -25.350 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.164 13.109 -26.569 1.00 0.00 O ATOM 792 OE2 GLU A 70 -0.306 12.080 -24.694 1.00 0.00 O ATOM 0 H GLU A 70 1.148 18.506 -25.266 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.286 17.097 -24.470 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.542 15.729 -26.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.079 15.647 -25.700 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.202 14.476 -23.693 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.420 14.560 -24.352 1.00 0.00 H new ATOM 799 N GLN A 71 -0.191 17.711 -22.328 1.00 0.00 N ATOM 800 CA GLN A 71 0.375 18.062 -21.015 1.00 0.00 C ATOM 801 C GLN A 71 0.867 16.842 -20.209 1.00 0.00 C ATOM 802 O GLN A 71 1.622 16.996 -19.248 1.00 0.00 O ATOM 803 CB GLN A 71 -0.672 18.818 -20.184 1.00 0.00 C ATOM 804 CG GLN A 71 -1.410 19.984 -20.865 1.00 0.00 C ATOM 805 CD GLN A 71 -0.616 21.276 -21.008 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.879 22.267 -20.338 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.354 21.359 -21.890 1.00 0.00 N ATOM 0 H GLN A 71 -1.168 17.988 -22.428 1.00 0.00 H new ATOM 0 HA GLN A 71 1.245 18.687 -21.215 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.418 18.098 -19.847 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.178 19.206 -19.293 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.724 19.661 -21.857 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.316 20.197 -20.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.594 20.549 -22.462 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.867 22.233 -22.003 1.00 0.00 H new ATOM 816 N HIS A 72 0.458 15.627 -20.593 1.00 0.00 N ATOM 817 CA HIS A 72 0.926 14.363 -20.026 1.00 0.00 C ATOM 818 C HIS A 72 2.418 14.133 -20.225 1.00 0.00 C ATOM 819 O HIS A 72 3.054 13.524 -19.370 1.00 0.00 O ATOM 820 CB HIS A 72 0.225 13.205 -20.751 1.00 0.00 C ATOM 821 CG HIS A 72 -1.249 13.396 -20.893 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.850 14.197 -21.854 1.00 0.00 N ATOM 823 CD2 HIS A 72 -2.199 12.792 -20.139 1.00 0.00 C ATOM 824 CE1 HIS A 72 -3.167 14.053 -21.686 1.00 0.00 C ATOM 825 NE2 HIS A 72 -3.413 13.217 -20.654 1.00 0.00 N ATOM 0 H HIS A 72 -0.232 15.496 -21.333 1.00 0.00 H new ATOM 0 HA HIS A 72 0.707 14.407 -18.959 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.665 13.087 -21.741 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.413 12.279 -20.207 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.042 12.119 -19.309 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.924 14.534 -22.287 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.335 12.945 -20.312 1.00 0.00 H new ATOM 833 N MET A 73 2.934 14.549 -21.383 1.00 0.00 N ATOM 834 CA MET A 73 4.279 14.241 -21.861 1.00 0.00 C ATOM 835 C MET A 73 5.285 15.206 -21.246 1.00 0.00 C ATOM 836 O MET A 73 5.241 16.408 -21.508 1.00 0.00 O ATOM 837 CB MET A 73 4.335 14.320 -23.396 1.00 0.00 C ATOM 838 CG MET A 73 3.474 13.265 -24.102 1.00 0.00 C ATOM 839 SD MET A 73 3.869 11.529 -23.740 1.00 0.00 S ATOM 840 CE MET A 73 5.590 11.429 -24.310 1.00 0.00 C ATOM 0 H MET A 73 2.407 15.130 -22.035 1.00 0.00 H new ATOM 0 HA MET A 73 4.533 13.225 -21.558 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.010 15.311 -23.712 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.370 14.206 -23.719 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.432 13.441 -23.837 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.559 13.418 -25.178 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.922 10.391 -24.284 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.658 11.806 -25.330 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.225 12.029 -23.658 1.00 0.00 H new ATOM 850 N VAL A 74 6.197 14.673 -20.438 1.00 0.00 N ATOM 851 CA VAL A 74 7.248 15.423 -19.742 1.00 0.00 C ATOM 852 C VAL A 74 8.563 15.253 -20.515 1.00 0.00 C ATOM 853 O VAL A 74 8.927 14.134 -20.880 1.00 0.00 O ATOM 854 CB VAL A 74 7.413 14.909 -18.301 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.344 15.848 -17.527 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.074 14.839 -17.551 1.00 0.00 C ATOM 0 H VAL A 74 6.229 13.673 -20.240 1.00 0.00 H new ATOM 0 HA VAL A 74 6.975 16.477 -19.696 1.00 0.00 H new ATOM 0 HB VAL A 74 7.827 13.903 -18.365 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.461 15.484 -16.506 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.318 15.878 -18.015 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.916 16.850 -17.508 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.243 14.471 -16.539 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.630 15.833 -17.506 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.398 14.163 -18.075 1.00 0.00 H new ATOM 866 N TYR A 75 9.294 16.345 -20.727 1.00 0.00 N ATOM 867 CA TYR A 75 10.555 16.421 -21.466 1.00 0.00 C ATOM 868 C TYR A 75 11.670 17.009 -20.581 1.00 0.00 C ATOM 869 O TYR A 75 11.873 18.221 -20.503 1.00 0.00 O ATOM 870 CB TYR A 75 10.328 17.210 -22.764 1.00 0.00 C ATOM 871 CG TYR A 75 9.576 16.380 -23.782 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.247 15.316 -24.412 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.207 16.598 -24.031 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.552 14.451 -25.272 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.514 15.747 -24.914 1.00 0.00 C ATOM 876 CZ TYR A 75 8.180 14.665 -25.530 1.00 0.00 C ATOM 877 OH TYR A 75 7.491 13.832 -26.361 1.00 0.00 O ATOM 0 H TYR A 75 9.006 17.255 -20.367 1.00 0.00 H new ATOM 0 HA TYR A 75 10.893 15.423 -21.743 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.768 18.120 -22.547 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.288 17.518 -23.179 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.301 15.164 -24.233 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.691 17.414 -23.547 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.066 13.622 -25.736 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.469 15.923 -25.121 1.00 0.00 H new ATOM 0 HH TYR A 75 6.559 14.128 -26.422 1.00 0.00 H new ATOM 887 N CYS A 76 12.404 16.118 -19.911 1.00 0.00 N ATOM 888 CA CYS A 76 13.531 16.405 -19.019 1.00 0.00 C ATOM 889 C CYS A 76 14.907 16.404 -19.711 1.00 0.00 C ATOM 890 O CYS A 76 15.926 16.380 -19.023 1.00 0.00 O ATOM 891 CB CYS A 76 13.505 15.425 -17.835 1.00 0.00 C ATOM 892 SG CYS A 76 11.978 15.591 -16.872 1.00 0.00 S ATOM 0 H CYS A 76 12.217 15.118 -19.980 1.00 0.00 H new ATOM 0 HA CYS A 76 13.399 17.428 -18.666 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.595 14.403 -18.204 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.365 15.608 -17.191 1.00 0.00 H new ATOM 0 HG CYS A 76 12.152 16.471 -15.931 1.00 0.00 H new ATOM 898 N GLY A 77 14.977 16.404 -21.046 1.00 0.00 N ATOM 899 CA GLY A 77 16.253 16.420 -21.774 1.00 0.00 C ATOM 900 C GLY A 77 17.122 17.630 -21.390 1.00 0.00 C ATOM 901 O GLY A 77 16.715 18.779 -21.578 1.00 0.00 O ATOM 0 H GLY A 77 14.156 16.393 -21.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.800 15.500 -21.566 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.058 16.440 -22.846 1.00 0.00 H new ATOM 905 N GLY A 78 18.304 17.368 -20.821 1.00 0.00 N ATOM 906 CA GLY A 78 19.224 18.385 -20.286 1.00 0.00 C ATOM 907 C GLY A 78 18.914 18.886 -18.861 1.00 0.00 C ATOM 908 O GLY A 78 19.638 19.747 -18.356 1.00 0.00 O ATOM 0 H GLY A 78 18.659 16.418 -20.716 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.234 17.975 -20.295 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.221 19.241 -20.961 1.00 0.00 H new ATOM 912 N ASP A 79 17.877 18.365 -18.195 1.00 0.00 N ATOM 913 CA ASP A 79 17.542 18.669 -16.794 1.00 0.00 C ATOM 914 C ASP A 79 18.228 17.704 -15.807 1.00 0.00 C ATOM 915 O ASP A 79 18.553 16.567 -16.164 1.00 0.00 O ATOM 916 CB ASP A 79 16.019 18.624 -16.598 1.00 0.00 C ATOM 917 CG ASP A 79 15.607 19.325 -15.305 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.537 20.575 -15.275 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.409 18.616 -14.297 1.00 0.00 O ATOM 0 H ASP A 79 17.230 17.703 -18.624 1.00 0.00 H new ATOM 0 HA ASP A 79 17.913 19.671 -16.580 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.526 19.100 -17.446 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.683 17.587 -16.576 1.00 0.00 H new ATOM 924 N LEU A 80 18.379 18.111 -14.539 1.00 0.00 N ATOM 925 CA LEU A 80 18.857 17.219 -13.478 1.00 0.00 C ATOM 926 C LEU A 80 17.939 16.007 -13.307 1.00 0.00 C ATOM 927 O LEU A 80 18.431 14.882 -13.209 1.00 0.00 O ATOM 928 CB LEU A 80 18.926 17.974 -12.144 1.00 0.00 C ATOM 929 CG LEU A 80 19.848 17.322 -11.092 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.295 17.147 -11.554 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.891 18.209 -9.847 1.00 0.00 C ATOM 0 H LEU A 80 18.175 19.059 -14.224 1.00 0.00 H new ATOM 0 HA LEU A 80 19.849 16.872 -13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.271 18.990 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.920 18.051 -11.731 1.00 0.00 H new ATOM 0 HG LEU A 80 19.428 16.334 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.877 16.683 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.320 16.512 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.721 18.121 -11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.541 17.755 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.277 19.193 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.885 18.313 -9.439 1.00 0.00 H new ATOM 943 N LEU A 81 16.611 16.219 -13.308 1.00 0.00 N ATOM 944 CA LEU A 81 15.661 15.111 -13.254 1.00 0.00 C ATOM 945 C LEU A 81 15.853 14.133 -14.437 1.00 0.00 C ATOM 946 O LEU A 81 15.746 12.921 -14.262 1.00 0.00 O ATOM 947 CB LEU A 81 14.223 15.671 -13.182 1.00 0.00 C ATOM 948 CG LEU A 81 13.089 14.624 -13.225 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.216 13.521 -12.170 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.744 15.324 -13.014 1.00 0.00 C ATOM 0 H LEU A 81 16.181 17.143 -13.345 1.00 0.00 H new ATOM 0 HA LEU A 81 15.848 14.527 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.124 16.248 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.082 16.365 -14.011 1.00 0.00 H new ATOM 0 HG LEU A 81 13.159 14.149 -14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.381 12.827 -12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.153 12.984 -12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.204 13.966 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.942 14.587 -13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.742 15.824 -12.045 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.590 16.061 -13.802 1.00 0.00 H new ATOM 962 N GLY A 82 16.200 14.636 -15.626 1.00 0.00 N ATOM 963 CA GLY A 82 16.494 13.817 -16.810 1.00 0.00 C ATOM 964 C GLY A 82 17.784 13.004 -16.681 1.00 0.00 C ATOM 965 O GLY A 82 17.802 11.816 -17.004 1.00 0.00 O ATOM 0 H GLY A 82 16.286 15.638 -15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.661 13.137 -16.988 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.568 14.466 -17.682 1.00 0.00 H new ATOM 969 N GLU A 83 18.847 13.603 -16.138 1.00 0.00 N ATOM 970 CA GLU A 83 20.112 12.904 -15.863 1.00 0.00 C ATOM 971 C GLU A 83 19.930 11.803 -14.802 1.00 0.00 C ATOM 972 O GLU A 83 20.482 10.708 -14.937 1.00 0.00 O ATOM 973 CB GLU A 83 21.226 13.923 -15.533 1.00 0.00 C ATOM 974 CG GLU A 83 21.857 13.848 -14.132 1.00 0.00 C ATOM 975 CD GLU A 83 23.114 14.739 -14.023 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.096 15.915 -14.464 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.147 14.263 -13.489 1.00 0.00 O ATOM 0 H GLU A 83 18.858 14.588 -15.875 1.00 0.00 H new ATOM 0 HA GLU A 83 20.435 12.378 -16.761 1.00 0.00 H new ATOM 0 HB2 GLU A 83 22.022 13.803 -16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.817 14.925 -15.666 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.125 14.158 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.123 12.815 -13.907 1.00 0.00 H new ATOM 984 N LEU A 84 19.097 12.066 -13.789 1.00 0.00 N ATOM 985 CA LEU A 84 18.697 11.095 -12.770 1.00 0.00 C ATOM 986 C LEU A 84 17.880 9.927 -13.357 1.00 0.00 C ATOM 987 O LEU A 84 18.106 8.767 -13.007 1.00 0.00 O ATOM 988 CB LEU A 84 17.908 11.856 -11.693 1.00 0.00 C ATOM 989 CG LEU A 84 17.393 10.983 -10.540 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.535 10.436 -9.686 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.497 11.840 -9.659 1.00 0.00 C ATOM 0 H LEU A 84 18.673 12.984 -13.654 1.00 0.00 H new ATOM 0 HA LEU A 84 19.584 10.633 -12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.544 12.640 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.058 12.350 -12.165 1.00 0.00 H new ATOM 0 HG LEU A 84 16.853 10.136 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.127 9.824 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.194 9.828 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.100 11.265 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.119 11.240 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.069 12.680 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.660 12.215 -10.247 1.00 0.00 H new ATOM 1003 N LEU A 85 16.953 10.233 -14.268 1.00 0.00 N ATOM 1004 CA LEU A 85 16.141 9.258 -15.008 1.00 0.00 C ATOM 1005 C LEU A 85 16.964 8.407 -15.996 1.00 0.00 C ATOM 1006 O LEU A 85 16.619 7.250 -16.242 1.00 0.00 O ATOM 1007 CB LEU A 85 15.031 10.020 -15.765 1.00 0.00 C ATOM 1008 CG LEU A 85 13.668 9.952 -15.070 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.764 11.032 -15.650 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.007 8.590 -15.295 1.00 0.00 C ATOM 0 H LEU A 85 16.738 11.198 -14.521 1.00 0.00 H new ATOM 0 HA LEU A 85 15.717 8.561 -14.285 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.325 11.064 -15.872 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.939 9.610 -16.771 1.00 0.00 H new ATOM 0 HG LEU A 85 13.816 10.101 -14.000 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.790 10.992 -15.162 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.214 12.011 -15.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.640 10.867 -16.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.041 8.567 -14.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.864 8.427 -16.363 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.645 7.804 -14.891 1.00 0.00 H new ATOM 1022 N GLY A 86 18.014 8.981 -16.594 1.00 0.00 N ATOM 1023 CA GLY A 86 18.768 8.379 -17.705 1.00 0.00 C ATOM 1024 C GLY A 86 18.033 8.427 -19.057 1.00 0.00 C ATOM 1025 O GLY A 86 18.447 7.766 -20.013 1.00 0.00 O ATOM 0 H GLY A 86 18.372 9.895 -16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.724 8.894 -17.804 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.990 7.340 -17.460 1.00 0.00 H new ATOM 1029 N ARG A 87 16.933 9.192 -19.131 1.00 0.00 N ATOM 1030 CA ARG A 87 16.051 9.385 -20.298 1.00 0.00 C ATOM 1031 C ARG A 87 15.444 10.784 -20.293 1.00 0.00 C ATOM 1032 O ARG A 87 15.113 11.329 -19.242 1.00 0.00 O ATOM 1033 CB ARG A 87 14.982 8.274 -20.374 1.00 0.00 C ATOM 1034 CG ARG A 87 14.112 8.133 -19.116 1.00 0.00 C ATOM 1035 CD ARG A 87 13.211 6.897 -19.169 1.00 0.00 C ATOM 1036 NE ARG A 87 12.124 7.057 -20.151 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.502 6.125 -20.849 1.00 0.00 C ATOM 1038 NH1 ARG A 87 11.795 4.859 -20.755 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.550 6.478 -21.660 1.00 0.00 N ATOM 0 H ARG A 87 16.613 9.729 -18.325 1.00 0.00 H new ATOM 0 HA ARG A 87 16.651 9.304 -21.205 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.333 8.471 -21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.479 7.323 -20.564 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.754 8.074 -18.237 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.496 9.025 -19.001 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.808 6.022 -19.426 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.786 6.714 -18.182 1.00 0.00 H new ATOM 0 HE ARG A 87 11.811 8.014 -20.313 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.533 4.552 -20.121 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.286 4.175 -21.315 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.294 7.461 -21.749 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.058 5.772 -22.207 1.00 0.00 H new ATOM 1053 N GLN A 88 15.270 11.339 -21.489 1.00 0.00 N ATOM 1054 CA GLN A 88 14.717 12.680 -21.699 1.00 0.00 C ATOM 1055 C GLN A 88 13.206 12.770 -21.495 1.00 0.00 C ATOM 1056 O GLN A 88 12.692 13.878 -21.411 1.00 0.00 O ATOM 1057 CB GLN A 88 15.097 13.162 -23.105 1.00 0.00 C ATOM 1058 CG GLN A 88 14.449 12.388 -24.268 1.00 0.00 C ATOM 1059 CD GLN A 88 14.969 12.865 -25.624 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.853 12.268 -26.228 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.462 13.961 -26.154 1.00 0.00 N ATOM 0 H GLN A 88 15.513 10.863 -22.358 1.00 0.00 H new ATOM 0 HA GLN A 88 15.151 13.326 -20.936 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.826 14.214 -23.195 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.180 13.102 -23.210 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.652 11.323 -24.154 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.367 12.512 -24.229 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.726 14.470 -25.665 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.806 14.299 -27.053 1.00 0.00 H new ATOM 1070 N SER A 89 12.484 11.651 -21.459 1.00 0.00 N ATOM 1071 CA SER A 89 11.005 11.705 -21.432 1.00 0.00 C ATOM 1072 C SER A 89 10.260 10.501 -20.851 1.00 0.00 C ATOM 1073 O SER A 89 10.710 9.357 -20.917 1.00 0.00 O ATOM 1074 CB SER A 89 10.467 12.006 -22.843 1.00 0.00 C ATOM 1075 OG SER A 89 10.931 11.069 -23.810 1.00 0.00 O ATOM 0 H SER A 89 12.879 10.711 -21.448 1.00 0.00 H new ATOM 0 HA SER A 89 10.797 12.507 -20.723 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.377 11.995 -22.824 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.771 13.010 -23.139 1.00 0.00 H new ATOM 0 HG SER A 89 10.564 11.297 -24.689 1.00 0.00 H new ATOM 1081 N PHE A 90 9.080 10.794 -20.305 1.00 0.00 N ATOM 1082 CA PHE A 90 8.065 9.896 -19.732 1.00 0.00 C ATOM 1083 C PHE A 90 6.704 10.632 -19.751 1.00 0.00 C ATOM 1084 O PHE A 90 6.631 11.792 -20.171 1.00 0.00 O ATOM 1085 CB PHE A 90 8.477 9.515 -18.298 1.00 0.00 C ATOM 1086 CG PHE A 90 8.577 10.684 -17.336 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.765 11.434 -17.263 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.482 11.031 -16.522 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.862 12.516 -16.372 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.578 12.116 -15.634 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.777 12.846 -15.537 1.00 0.00 C ATOM 0 H PHE A 90 8.776 11.766 -20.245 1.00 0.00 H new ATOM 0 HA PHE A 90 7.980 8.977 -20.312 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.755 8.799 -17.905 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.441 9.008 -18.334 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.604 11.178 -17.893 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.566 10.462 -16.580 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.772 13.097 -16.327 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.730 12.390 -15.025 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.865 13.655 -14.826 1.00 0.00 H new ATOM 1101 N SER A 91 5.624 10.009 -19.272 1.00 0.00 N ATOM 1102 CA SER A 91 4.340 10.684 -19.052 1.00 0.00 C ATOM 1103 C SER A 91 3.680 10.311 -17.728 1.00 0.00 C ATOM 1104 O SER A 91 4.048 9.341 -17.068 1.00 0.00 O ATOM 1105 CB SER A 91 3.363 10.355 -20.185 1.00 0.00 C ATOM 1106 OG SER A 91 3.055 8.973 -20.134 1.00 0.00 O ATOM 0 H SER A 91 5.614 9.019 -19.025 1.00 0.00 H new ATOM 0 HA SER A 91 4.566 11.750 -19.027 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.454 10.948 -20.084 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.804 10.608 -21.149 1.00 0.00 H new ATOM 0 HG SER A 91 2.720 8.680 -21.007 1.00 0.00 H new ATOM 1112 N VAL A 92 2.628 11.051 -17.375 1.00 0.00 N ATOM 1113 CA VAL A 92 1.722 10.715 -16.276 1.00 0.00 C ATOM 1114 C VAL A 92 0.856 9.472 -16.579 1.00 0.00 C ATOM 1115 O VAL A 92 0.281 8.890 -15.659 1.00 0.00 O ATOM 1116 CB VAL A 92 0.857 11.942 -15.949 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.712 13.179 -15.653 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.159 12.274 -17.044 1.00 0.00 C ATOM 0 H VAL A 92 2.377 11.916 -17.854 1.00 0.00 H new ATOM 0 HA VAL A 92 2.321 10.450 -15.405 1.00 0.00 H new ATOM 0 HB VAL A 92 0.300 11.667 -15.053 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.062 14.025 -15.427 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.358 12.979 -14.798 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.324 13.415 -16.523 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.737 13.150 -16.750 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.366 12.481 -17.977 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.831 11.427 -17.186 1.00 0.00 H new ATOM 1128 N LYS A 93 0.787 9.042 -17.854 1.00 0.00 N ATOM 1129 CA LYS A 93 0.159 7.782 -18.302 1.00 0.00 C ATOM 1130 C LYS A 93 1.067 6.572 -18.035 1.00 0.00 C ATOM 1131 O LYS A 93 0.573 5.499 -17.689 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.177 7.851 -19.807 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.200 8.933 -20.193 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.233 9.131 -21.720 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.395 10.048 -22.124 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.274 10.537 -23.524 1.00 0.00 N ATOM 0 H LYS A 93 1.180 9.580 -18.627 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.760 7.656 -17.729 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.744 8.028 -20.362 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.559 6.881 -20.124 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.190 8.648 -19.837 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.944 9.873 -19.705 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.290 9.562 -22.056 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.337 8.165 -22.215 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.336 9.509 -22.011 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.433 10.901 -21.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.091 11.138 -23.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.399 11.089 -23.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.248 9.726 -24.174 1.00 0.00 H new ATOM 1150 N ASP A 94 2.385 6.753 -18.166 1.00 0.00 N ATOM 1151 CA ASP A 94 3.417 5.738 -17.911 1.00 0.00 C ATOM 1152 C ASP A 94 4.567 6.288 -17.026 1.00 0.00 C ATOM 1153 O ASP A 94 5.664 6.566 -17.525 1.00 0.00 O ATOM 1154 CB ASP A 94 3.908 5.175 -19.256 1.00 0.00 C ATOM 1155 CG ASP A 94 4.931 4.035 -19.084 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.890 3.319 -18.053 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.758 3.823 -20.004 1.00 0.00 O ATOM 0 H ASP A 94 2.780 7.645 -18.464 1.00 0.00 H new ATOM 0 HA ASP A 94 2.985 4.919 -17.335 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.054 4.809 -19.826 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.359 5.978 -19.839 1.00 0.00 H new ATOM 1162 N PRO A 95 4.336 6.452 -15.704 1.00 0.00 N ATOM 1163 CA PRO A 95 5.317 6.994 -14.754 1.00 0.00 C ATOM 1164 C PRO A 95 6.394 5.980 -14.315 1.00 0.00 C ATOM 1165 O PRO A 95 7.294 6.326 -13.550 1.00 0.00 O ATOM 1166 CB PRO A 95 4.471 7.482 -13.571 1.00 0.00 C ATOM 1167 CG PRO A 95 3.312 6.488 -13.547 1.00 0.00 C ATOM 1168 CD PRO A 95 3.059 6.236 -15.032 1.00 0.00 C ATOM 0 HA PRO A 95 5.903 7.790 -15.214 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.035 7.468 -12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.123 8.505 -13.718 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.575 5.571 -13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.434 6.901 -13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.698 5.221 -15.199 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.297 6.913 -15.418 1.00 0.00 H new ATOM 1176 N SER A 96 6.325 4.732 -14.793 1.00 0.00 N ATOM 1177 CA SER A 96 7.188 3.597 -14.423 1.00 0.00 C ATOM 1178 C SER A 96 8.691 3.903 -14.240 1.00 0.00 C ATOM 1179 O SER A 96 9.231 3.514 -13.197 1.00 0.00 O ATOM 1180 CB SER A 96 7.002 2.473 -15.452 1.00 0.00 C ATOM 1181 OG SER A 96 7.697 1.301 -15.053 1.00 0.00 O ATOM 0 H SER A 96 5.627 4.469 -15.488 1.00 0.00 H new ATOM 0 HA SER A 96 6.858 3.304 -13.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.941 2.251 -15.566 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.365 2.802 -16.426 1.00 0.00 H new ATOM 0 HG SER A 96 7.563 0.598 -15.722 1.00 0.00 H new ATOM 1187 N PRO A 97 9.404 4.621 -15.144 1.00 0.00 N ATOM 1188 CA PRO A 97 10.851 4.802 -14.982 1.00 0.00 C ATOM 1189 C PRO A 97 11.240 5.704 -13.796 1.00 0.00 C ATOM 1190 O PRO A 97 12.362 5.603 -13.303 1.00 0.00 O ATOM 1191 CB PRO A 97 11.345 5.354 -16.319 1.00 0.00 C ATOM 1192 CG PRO A 97 10.132 6.104 -16.863 1.00 0.00 C ATOM 1193 CD PRO A 97 8.970 5.223 -16.407 1.00 0.00 C ATOM 0 HA PRO A 97 11.324 3.852 -14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.201 6.016 -16.189 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.659 4.556 -16.992 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.062 7.112 -16.455 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.167 6.201 -17.948 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.063 5.811 -16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.744 4.457 -17.149 1.00 0.00 H new ATOM 1201 N LEU A 98 10.323 6.530 -13.272 1.00 0.00 N ATOM 1202 CA LEU A 98 10.533 7.306 -12.047 1.00 0.00 C ATOM 1203 C LEU A 98 10.739 6.369 -10.854 1.00 0.00 C ATOM 1204 O LEU A 98 11.722 6.436 -10.121 1.00 0.00 O ATOM 1205 CB LEU A 98 9.283 8.175 -11.794 1.00 0.00 C ATOM 1206 CG LEU A 98 8.862 9.105 -12.940 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.523 9.750 -12.603 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.899 10.195 -13.145 1.00 0.00 C ATOM 0 H LEU A 98 9.406 6.678 -13.693 1.00 0.00 H new ATOM 0 HA LEU A 98 11.418 7.931 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.447 7.514 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.462 8.783 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 98 8.776 8.518 -13.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.223 10.411 -13.416 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.769 8.974 -12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.618 10.327 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.586 10.846 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.997 10.780 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.859 9.742 -13.390 1.00 0.00 H new ATOM 1220 N TYR A 99 9.836 5.409 -10.703 1.00 0.00 N ATOM 1221 CA TYR A 99 9.889 4.453 -9.609 1.00 0.00 C ATOM 1222 C TYR A 99 11.173 3.610 -9.670 1.00 0.00 C ATOM 1223 O TYR A 99 11.728 3.276 -8.631 1.00 0.00 O ATOM 1224 CB TYR A 99 8.606 3.614 -9.636 1.00 0.00 C ATOM 1225 CG TYR A 99 7.354 4.386 -9.237 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.714 5.277 -10.133 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.823 4.199 -7.944 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.531 5.939 -9.742 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.647 4.864 -7.553 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.989 5.725 -8.454 1.00 0.00 C ATOM 1231 OH TYR A 99 3.829 6.331 -8.073 1.00 0.00 O ATOM 0 H TYR A 99 9.048 5.273 -11.336 1.00 0.00 H new ATOM 0 HA TYR A 99 9.934 4.971 -8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.468 3.211 -10.639 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.726 2.763 -8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.131 5.449 -11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.323 3.540 -7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.038 6.611 -10.429 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.248 4.715 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 99 3.608 6.067 -7.156 1.00 0.00 H new ATOM 1241 N ASP A 100 11.730 3.376 -10.861 1.00 0.00 N ATOM 1242 CA ASP A 100 13.030 2.717 -11.057 1.00 0.00 C ATOM 1243 C ASP A 100 14.207 3.616 -10.658 1.00 0.00 C ATOM 1244 O ASP A 100 15.162 3.170 -10.027 1.00 0.00 O ATOM 1245 CB ASP A 100 13.153 2.284 -12.511 1.00 0.00 C ATOM 1246 CG ASP A 100 14.220 1.194 -12.685 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.971 0.046 -12.243 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.292 1.476 -13.271 1.00 0.00 O ATOM 0 H ASP A 100 11.282 3.644 -11.737 1.00 0.00 H new ATOM 0 HA ASP A 100 13.072 1.845 -10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.191 1.912 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.408 3.146 -13.128 1.00 0.00 H new ATOM 1253 N MET A 101 14.100 4.913 -10.950 1.00 0.00 N ATOM 1254 CA MET A 101 15.020 5.940 -10.441 1.00 0.00 C ATOM 1255 C MET A 101 14.970 6.029 -8.897 1.00 0.00 C ATOM 1256 O MET A 101 15.971 6.384 -8.281 1.00 0.00 O ATOM 1257 CB MET A 101 14.814 7.291 -11.165 1.00 0.00 C ATOM 1258 CG MET A 101 14.185 8.373 -10.285 1.00 0.00 C ATOM 1259 SD MET A 101 13.511 9.794 -11.167 1.00 0.00 S ATOM 1260 CE MET A 101 12.210 10.197 -9.976 1.00 0.00 C ATOM 0 H MET A 101 13.366 5.287 -11.552 1.00 0.00 H new ATOM 0 HA MET A 101 16.041 5.640 -10.678 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.777 7.647 -11.530 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.181 7.132 -12.038 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.387 7.920 -9.697 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.938 8.728 -9.581 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.722 11.126 -10.271 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.475 9.392 -9.954 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.648 10.316 -8.985 1.00 0.00 H new ATOM 1270 N LEU A 102 13.829 5.711 -8.260 1.00 0.00 N ATOM 1271 CA LEU A 102 13.707 5.593 -6.809 1.00 0.00 C ATOM 1272 C LEU A 102 14.339 4.277 -6.352 1.00 0.00 C ATOM 1273 O LEU A 102 15.159 4.327 -5.451 1.00 0.00 O ATOM 1274 CB LEU A 102 12.243 5.710 -6.317 1.00 0.00 C ATOM 1275 CG LEU A 102 11.448 6.969 -6.714 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.073 6.953 -6.047 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.139 8.278 -6.345 1.00 0.00 C ATOM 0 H LEU A 102 12.956 5.527 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 102 14.241 6.431 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.697 4.840 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.250 5.648 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 102 11.368 6.933 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.519 7.847 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.524 6.067 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.194 6.933 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.518 9.118 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.289 8.319 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.104 8.334 -6.848 1.00 0.00 H new ATOM 1289 N ARG A 103 14.069 3.130 -7.000 1.00 0.00 N ATOM 1290 CA ARG A 103 14.483 1.777 -6.550 1.00 0.00 C ATOM 1291 C ARG A 103 15.926 1.676 -6.016 1.00 0.00 C ATOM 1292 O ARG A 103 16.179 0.993 -5.023 1.00 0.00 O ATOM 1293 CB ARG A 103 14.336 0.755 -7.699 1.00 0.00 C ATOM 1294 CG ARG A 103 12.924 0.197 -7.926 1.00 0.00 C ATOM 1295 CD ARG A 103 12.960 -0.932 -8.963 1.00 0.00 C ATOM 1296 NE ARG A 103 11.602 -1.429 -9.261 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.036 -1.601 -10.445 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.618 -1.297 -11.572 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.835 -2.100 -10.520 1.00 0.00 N ATOM 0 H ARG A 103 13.544 3.111 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 103 13.815 1.558 -5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.672 1.226 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.008 -0.080 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.517 -0.176 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.261 0.992 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.427 -0.572 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.576 -1.751 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 103 11.028 -1.670 -8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.559 -0.904 -11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.132 -1.452 -12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.335 -2.356 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.395 -2.234 -11.430 1.00 0.00 H new ATOM 1313 N LYS A 104 16.859 2.363 -6.689 1.00 0.00 N ATOM 1314 CA LYS A 104 18.313 2.383 -6.451 1.00 0.00 C ATOM 1315 C LYS A 104 18.873 3.655 -5.777 1.00 0.00 C ATOM 1316 O LYS A 104 20.075 3.743 -5.540 1.00 0.00 O ATOM 1317 CB LYS A 104 19.033 1.998 -7.764 1.00 0.00 C ATOM 1318 CG LYS A 104 18.466 2.536 -9.094 1.00 0.00 C ATOM 1319 CD LYS A 104 18.185 4.048 -9.147 1.00 0.00 C ATOM 1320 CE LYS A 104 19.391 4.959 -8.872 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.425 4.887 -9.950 1.00 0.00 N ATOM 0 H LYS A 104 16.601 2.964 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 104 18.524 1.636 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 104 20.068 2.330 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.051 0.910 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.167 2.289 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.538 2.007 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.787 4.291 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.405 4.280 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.048 5.989 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.843 4.679 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.216 5.520 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.775 3.911 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.004 5.180 -10.855 1.00 0.00 H new ATOM 1335 N ASN A 105 18.038 4.663 -5.506 1.00 0.00 N ATOM 1336 CA ASN A 105 18.408 5.919 -4.813 1.00 0.00 C ATOM 1337 C ASN A 105 17.629 6.140 -3.510 1.00 0.00 C ATOM 1338 O ASN A 105 18.030 6.949 -2.673 1.00 0.00 O ATOM 1339 CB ASN A 105 18.212 7.104 -5.776 1.00 0.00 C ATOM 1340 CG ASN A 105 19.480 7.924 -5.938 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.498 9.130 -5.777 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.590 7.291 -6.242 1.00 0.00 N ATOM 0 H ASN A 105 17.053 4.635 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 105 19.456 5.841 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.895 6.731 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.412 7.744 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.462 7.810 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.580 6.280 -6.378 1.00 0.00 H new ATOM 1349 N LEU A 106 16.495 5.457 -3.364 1.00 0.00 N ATOM 1350 CA LEU A 106 15.589 5.565 -2.230 1.00 0.00 C ATOM 1351 C LEU A 106 14.951 4.216 -1.839 1.00 0.00 C ATOM 1352 O LEU A 106 14.382 3.505 -2.666 1.00 0.00 O ATOM 1353 CB LEU A 106 14.527 6.600 -2.637 1.00 0.00 C ATOM 1354 CG LEU A 106 13.316 6.678 -1.708 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.655 7.157 -0.293 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.290 7.647 -2.266 1.00 0.00 C ATOM 0 H LEU A 106 16.172 4.787 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 106 16.133 5.876 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.997 7.583 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.180 6.367 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 106 12.934 5.659 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.746 7.187 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.369 6.471 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.091 8.155 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.432 7.694 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.736 8.638 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.964 7.306 -3.249 1.00 0.00 H new ATOM 1368 N VAL A 107 14.979 3.931 -0.536 1.00 0.00 N ATOM 1369 CA VAL A 107 14.239 2.845 0.131 1.00 0.00 C ATOM 1370 C VAL A 107 13.614 3.447 1.398 1.00 0.00 C ATOM 1371 O VAL A 107 14.303 4.165 2.123 1.00 0.00 O ATOM 1372 CB VAL A 107 15.151 1.643 0.469 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.358 0.504 1.124 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.834 1.069 -0.780 1.00 0.00 C ATOM 0 H VAL A 107 15.543 4.473 0.118 1.00 0.00 H new ATOM 0 HA VAL A 107 13.470 2.450 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 107 15.903 2.028 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.030 -0.325 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.902 0.862 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.578 0.165 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.465 0.227 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.076 0.732 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.447 1.840 -1.246 1.00 0.00 H new ATOM 1384 N THR A 108 12.324 3.203 1.664 1.00 0.00 N ATOM 1385 CA THR A 108 11.599 3.809 2.805 1.00 0.00 C ATOM 1386 C THR A 108 10.945 2.775 3.724 1.00 0.00 C ATOM 1387 O THR A 108 10.914 1.578 3.427 1.00 0.00 O ATOM 1388 CB THR A 108 10.632 4.900 2.338 1.00 0.00 C ATOM 1389 OG1 THR A 108 10.365 5.818 3.382 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.299 4.393 1.799 1.00 0.00 C ATOM 0 H THR A 108 11.747 2.581 1.098 1.00 0.00 H new ATOM 0 HA THR A 108 12.347 4.298 3.429 1.00 0.00 H new ATOM 0 HB THR A 108 11.152 5.378 1.508 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.192 6.705 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.684 5.240 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.476 3.745 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.782 3.831 2.577 1.00 0.00 H new ATOM 1398 N LEU A 109 10.423 3.251 4.855 1.00 0.00 N ATOM 1399 CA LEU A 109 9.698 2.418 5.828 1.00 0.00 C ATOM 1400 C LEU A 109 8.252 2.170 5.369 1.00 0.00 C ATOM 1401 O LEU A 109 7.554 3.107 4.978 1.00 0.00 O ATOM 1402 CB LEU A 109 9.758 3.017 7.242 1.00 0.00 C ATOM 1403 CG LEU A 109 11.167 3.108 7.860 1.00 0.00 C ATOM 1404 CD1 LEU A 109 11.023 3.393 9.350 1.00 0.00 C ATOM 1405 CD2 LEU A 109 12.011 1.837 7.719 1.00 0.00 C ATOM 0 H LEU A 109 10.489 4.232 5.128 1.00 0.00 H new ATOM 0 HA LEU A 109 10.196 1.450 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.327 4.018 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.129 2.417 7.900 1.00 0.00 H new ATOM 0 HG LEU A 109 11.683 3.898 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.011 3.461 9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.493 4.335 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 109 10.461 2.587 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.985 1.994 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.504 1.007 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.145 1.605 6.663 1.00 0.00 H new ATOM 1417 N ALA A 110 7.805 0.914 5.418 1.00 0.00 N ATOM 1418 CA ALA A 110 6.484 0.487 4.951 1.00 0.00 C ATOM 1419 C ALA A 110 5.958 -0.728 5.746 1.00 0.00 C ATOM 1420 O ALA A 110 6.739 -1.540 6.253 1.00 0.00 O ATOM 1421 CB ALA A 110 6.585 0.189 3.446 1.00 0.00 C ATOM 0 H ALA A 110 8.364 0.147 5.792 1.00 0.00 H new ATOM 0 HA ALA A 110 5.759 1.284 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.613 -0.132 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.898 1.089 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.316 -0.602 3.280 1.00 0.00 H new ATOM 1427 N THR A 111 4.630 -0.854 5.854 1.00 0.00 N ATOM 1428 CA THR A 111 3.933 -1.910 6.615 1.00 0.00 C ATOM 1429 C THR A 111 2.652 -2.401 5.930 1.00 0.00 C ATOM 1430 O THR A 111 2.039 -1.690 5.118 1.00 0.00 O ATOM 1431 CB THR A 111 3.654 -1.420 8.046 1.00 0.00 C ATOM 1432 OG1 THR A 111 3.233 -2.491 8.872 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.635 -0.281 8.162 1.00 0.00 C ATOM 0 H THR A 111 3.986 -0.205 5.401 1.00 0.00 H new ATOM 0 HA THR A 111 4.594 -2.776 6.654 1.00 0.00 H new ATOM 0 HB THR A 111 4.609 -1.014 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.063 -2.158 9.778 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.510 -0.010 9.210 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.991 0.584 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.678 -0.606 7.755 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.946 13.701 -11.898 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.326 14.191 -11.098 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.449 11.959 -10.774 1.00 0.00 C HETATM 1445 CG3 48M A 200 -1.033 15.240 -13.750 1.00 0.00 C HETATM 1446 CD1 48M A 200 2.800 14.432 -12.394 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.173 13.586 -10.166 1.00 0.00 C HETATM 1448 CD3 48M A 200 1.007 11.456 -11.955 1.00 0.00 C HETATM 1449 CD4 48M A 200 0.347 11.119 -9.662 1.00 0.00 C HETATM 1450 CD5 48M A 200 -2.088 14.518 -14.330 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.410 16.243 -14.522 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.094 14.064 -12.753 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.464 13.210 -10.529 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.449 10.136 -12.028 1.00 0.00 C HETATM 1455 CE4 48M A 200 0.783 9.796 -9.737 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.553 14.808 -15.606 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.892 16.534 -15.805 1.00 0.00 C HETATM 1458 CZ1 48M A 200 4.920 13.448 -11.820 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.329 9.301 -10.919 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.959 15.819 -16.348 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.517 12.972 -12.262 1.00 0.00 CL HETATM 1462 CL1 48M A 200 0.639 8.761 -8.359 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.446 16.087 -17.678 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.442 16.665 -15.802 1.00 0.00 C HETATM 1465 CM3 48M A 200 2.699 18.258 -13.864 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.857 16.277 -18.728 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.529 20.197 -11.355 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.737 19.713 -11.040 1.00 0.00 N HETATM 1469 O1 48M A 200 -1.423 21.396 -11.535 1.00 0.00 O HETATM 1470 C2 48M A 200 -3.011 18.293 -10.814 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.622 17.753 -11.432 1.00 0.00 N HETATM 1472 C3 48M A 200 -2.048 17.378 -11.592 1.00 0.00 C HETATM 1473 N3 48M A 200 0.267 15.573 -11.532 1.00 0.00 N HETATM 1474 C4 48M A 200 -0.355 19.225 -11.467 1.00 0.00 C HETATM 1475 C5 48M A 200 0.408 16.882 -11.219 1.00 0.00 C HETATM 1476 O5 48M A 200 1.438 17.280 -10.706 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.639 14.854 -12.354 1.00 0.00 C HETATM 1478 O6 48M A 200 0.728 16.880 -14.049 1.00 0.00 O HETATM 1479 C7 48M A 200 -0.117 13.380 -10.711 1.00 0.00 C HETATM 1480 C8 48M A 200 0.903 14.560 -10.673 1.00 0.00 C HETATM 1481 C9 48M A 200 1.698 17.616 -14.842 1.00 0.00 C