USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -140:sc=-0.00252 (180deg=-0.394) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= 0.0763 K(o=0.34,f=-1) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0.267 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 154:sc= 0.176 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.502 X(o=-0.33,f=-0.3) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 25 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 0.989 (180deg=0.822) USER MOD Single : A 43 GLN : amide:sc= 0.0775 K(o=0.078,f=-3.1!) USER MOD Single : A 46 MET CE :methyl -128:sc= 0 (180deg=-0.163) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 175:sc= -0.196 (180deg=-0.249) 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= 0.901 K(o=0.9,f=-0.084) USER MOD Single : A 59 TYR OH : rot -15:sc= 1.26 USER MOD Single : A 61 MET CE :methyl -174:sc= -1.3 (180deg=-1.35) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 69 GLN : amide:sc= 0.462 X(o=0.46,f=-0.023) USER MOD Single : A 71 GLN : amide:sc= 0.906 K(o=0.91,f=-0.32) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0684 USER MOD Single : A 88 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.25) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.316) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.988) USER MOD Single : A 105 ASN : amide:sc= 1.19 K(o=1.2,f=-1.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.617 11.076 7.651 1.00 0.00 N ATOM 2 CA GLN A 23 2.837 11.890 7.634 1.00 0.00 C ATOM 3 C GLN A 23 4.113 11.038 7.451 1.00 0.00 C ATOM 4 O GLN A 23 4.070 9.804 7.406 1.00 0.00 O ATOM 5 CB GLN A 23 2.913 12.752 8.914 1.00 0.00 C ATOM 6 CG GLN A 23 1.744 13.748 9.043 1.00 0.00 C ATOM 7 CD GLN A 23 1.852 14.671 10.262 1.00 0.00 C ATOM 8 OE1 GLN A 23 2.746 14.583 11.097 1.00 0.00 O ATOM 9 NE2 GLN A 23 0.937 15.607 10.417 1.00 0.00 N ATOM 0 HA GLN A 23 2.785 12.549 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.922 12.097 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.854 13.303 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.696 14.357 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.809 13.191 9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.183 15.701 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.983 16.237 11.218 1.00 0.00 H new ATOM 18 N ILE A 24 5.265 11.707 7.342 1.00 0.00 N ATOM 19 CA ILE A 24 6.597 11.097 7.188 1.00 0.00 C ATOM 20 C ILE A 24 6.929 10.253 8.434 1.00 0.00 C ATOM 21 O ILE A 24 6.970 10.772 9.551 1.00 0.00 O ATOM 22 CB ILE A 24 7.648 12.208 6.951 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.339 13.029 5.674 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.078 11.639 6.842 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.818 14.480 5.798 1.00 0.00 C ATOM 0 H ILE A 24 5.301 12.726 7.359 1.00 0.00 H new ATOM 0 HA ILE A 24 6.608 10.433 6.324 1.00 0.00 H new ATOM 0 HB ILE A 24 7.591 12.861 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.820 12.560 4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.266 13.016 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.782 12.454 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.335 11.120 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.129 10.940 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.582 15.021 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.317 14.958 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.896 14.495 5.961 1.00 0.00 H new ATOM 37 N ASN A 25 7.166 8.950 8.235 1.00 0.00 N ATOM 38 CA ASN A 25 7.509 7.995 9.302 1.00 0.00 C ATOM 39 C ASN A 25 8.993 7.613 9.279 1.00 0.00 C ATOM 40 O ASN A 25 9.737 7.900 10.219 1.00 0.00 O ATOM 41 CB ASN A 25 6.566 6.777 9.233 1.00 0.00 C ATOM 42 CG ASN A 25 5.282 6.988 10.024 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.097 6.436 11.100 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.356 7.790 9.546 1.00 0.00 N ATOM 0 H ASN A 25 7.124 8.520 7.311 1.00 0.00 H new ATOM 0 HA ASN A 25 7.357 8.476 10.268 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.318 6.572 8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.085 5.898 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.496 7.946 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.498 8.256 8.650 1.00 0.00 H new ATOM 51 N GLN A 26 9.419 6.996 8.178 1.00 0.00 N ATOM 52 CA GLN A 26 10.807 6.623 7.901 1.00 0.00 C ATOM 53 C GLN A 26 11.142 6.744 6.408 1.00 0.00 C ATOM 54 O GLN A 26 10.384 6.277 5.558 1.00 0.00 O ATOM 55 CB GLN A 26 11.011 5.175 8.386 1.00 0.00 C ATOM 56 CG GLN A 26 10.053 4.129 7.764 1.00 0.00 C ATOM 57 CD GLN A 26 10.769 3.133 6.852 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.177 2.051 7.258 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.958 3.457 5.589 1.00 0.00 N ATOM 0 H GLN A 26 8.783 6.732 7.425 1.00 0.00 H new ATOM 0 HA GLN A 26 11.477 7.303 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.037 4.878 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.894 5.152 9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.549 3.585 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.281 4.645 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.624 4.354 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.438 2.811 4.963 1.00 0.00 H new ATOM 68 N VAL A 27 12.292 7.337 6.076 1.00 0.00 N ATOM 69 CA VAL A 27 12.826 7.428 4.700 1.00 0.00 C ATOM 70 C VAL A 27 14.315 7.807 4.668 1.00 0.00 C ATOM 71 O VAL A 27 14.801 8.499 5.565 1.00 0.00 O ATOM 72 CB VAL A 27 11.974 8.410 3.867 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.911 9.797 4.508 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.432 8.509 2.406 1.00 0.00 C ATOM 0 H VAL A 27 12.897 7.780 6.767 1.00 0.00 H new ATOM 0 HA VAL A 27 12.758 6.436 4.253 1.00 0.00 H new ATOM 0 HB VAL A 27 10.967 7.992 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.302 10.456 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.468 9.719 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.918 10.206 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.795 9.214 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.465 8.855 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.362 7.528 1.935 1.00 0.00 H new ATOM 84 N ARG A 28 15.023 7.440 3.590 1.00 0.00 N ATOM 85 CA ARG A 28 16.378 7.900 3.263 1.00 0.00 C ATOM 86 C ARG A 28 16.491 8.034 1.729 1.00 0.00 C ATOM 87 O ARG A 28 16.247 7.040 1.039 1.00 0.00 O ATOM 88 CB ARG A 28 17.422 6.871 3.773 1.00 0.00 C ATOM 89 CG ARG A 28 17.517 6.629 5.294 1.00 0.00 C ATOM 90 CD ARG A 28 18.350 7.660 6.067 1.00 0.00 C ATOM 91 NE ARG A 28 17.856 9.038 5.880 1.00 0.00 N ATOM 92 CZ ARG A 28 18.529 10.055 5.369 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.783 10.005 5.035 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.962 11.190 5.116 1.00 0.00 N ATOM 0 H ARG A 28 14.652 6.790 2.897 1.00 0.00 H new ATOM 0 HA ARG A 28 16.569 8.861 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.209 5.915 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.404 7.190 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.509 6.616 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.944 5.640 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.335 7.413 7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.388 7.602 5.741 1.00 0.00 H new ATOM 0 HE ARG A 28 16.898 9.225 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.311 9.141 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.240 10.829 4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.969 11.319 5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.508 11.956 4.722 1.00 0.00 H new ATOM 108 N PRO A 29 16.792 9.225 1.179 1.00 0.00 N ATOM 109 CA PRO A 29 16.930 9.444 -0.261 1.00 0.00 C ATOM 110 C PRO A 29 18.396 9.315 -0.732 1.00 0.00 C ATOM 111 O PRO A 29 19.303 9.063 0.064 1.00 0.00 O ATOM 112 CB PRO A 29 16.350 10.848 -0.456 1.00 0.00 C ATOM 113 CG PRO A 29 16.883 11.583 0.771 1.00 0.00 C ATOM 114 CD PRO A 29 16.819 10.514 1.863 1.00 0.00 C ATOM 0 HA PRO A 29 16.411 8.698 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.690 11.305 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.260 10.839 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.900 11.942 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.272 12.451 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.682 10.584 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.931 10.644 2.482 1.00 0.00 H new ATOM 122 N LYS A 30 18.626 9.537 -2.035 1.00 0.00 N ATOM 123 CA LYS A 30 19.961 9.653 -2.660 1.00 0.00 C ATOM 124 C LYS A 30 20.213 11.097 -3.097 1.00 0.00 C ATOM 125 O LYS A 30 19.282 11.781 -3.515 1.00 0.00 O ATOM 126 CB LYS A 30 20.058 8.612 -3.785 1.00 0.00 C ATOM 127 CG LYS A 30 21.439 8.515 -4.454 1.00 0.00 C ATOM 128 CD LYS A 30 21.663 7.223 -5.259 1.00 0.00 C ATOM 129 CE LYS A 30 21.858 6.007 -4.336 1.00 0.00 C ATOM 130 NZ LYS A 30 22.049 4.746 -5.109 1.00 0.00 N ATOM 0 H LYS A 30 17.867 9.645 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 30 20.761 9.430 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.796 7.634 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.316 8.851 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.569 9.370 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.208 8.588 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.810 7.050 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.538 7.339 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.723 6.174 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.991 5.905 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.425 4.007 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.136 4.437 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.720 4.913 -5.886 1.00 0.00 H new ATOM 144 N LEU A 31 21.459 11.560 -3.028 1.00 0.00 N ATOM 145 CA LEU A 31 21.841 12.978 -3.176 1.00 0.00 C ATOM 146 C LEU A 31 21.334 13.681 -4.456 1.00 0.00 C ATOM 147 O LEU A 31 20.623 14.679 -4.329 1.00 0.00 O ATOM 148 CB LEU A 31 23.358 13.089 -2.921 1.00 0.00 C ATOM 149 CG LEU A 31 23.893 14.521 -2.731 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.264 14.457 -2.053 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.086 15.298 -4.039 1.00 0.00 C ATOM 0 H LEU A 31 22.259 10.949 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 31 21.309 13.559 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.604 12.507 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.884 12.631 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 31 23.141 15.039 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.649 15.467 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.168 13.970 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.953 13.888 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.465 16.296 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.799 14.772 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.131 15.380 -4.558 1.00 0.00 H new ATOM 163 N PRO A 32 21.596 13.191 -5.682 1.00 0.00 N ATOM 164 CA PRO A 32 21.089 13.822 -6.907 1.00 0.00 C ATOM 165 C PRO A 32 19.560 13.752 -7.096 1.00 0.00 C ATOM 166 O PRO A 32 19.044 14.399 -8.004 1.00 0.00 O ATOM 167 CB PRO A 32 21.847 13.139 -8.048 1.00 0.00 C ATOM 168 CG PRO A 32 22.197 11.767 -7.477 1.00 0.00 C ATOM 169 CD PRO A 32 22.520 12.120 -6.031 1.00 0.00 C ATOM 0 HA PRO A 32 21.265 14.897 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.232 13.055 -8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.741 13.697 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.366 11.066 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.045 11.313 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.389 11.258 -5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.555 12.444 -5.927 1.00 0.00 H new ATOM 177 N LEU A 33 18.826 13.019 -6.242 1.00 0.00 N ATOM 178 CA LEU A 33 17.356 12.977 -6.209 1.00 0.00 C ATOM 179 C LEU A 33 16.825 13.908 -5.107 1.00 0.00 C ATOM 180 O LEU A 33 15.956 14.731 -5.370 1.00 0.00 O ATOM 181 CB LEU A 33 16.921 11.498 -6.116 1.00 0.00 C ATOM 182 CG LEU A 33 15.427 11.157 -6.291 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.599 11.477 -5.051 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.787 11.858 -7.488 1.00 0.00 C ATOM 0 H LEU A 33 19.253 12.421 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 33 16.906 13.368 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.478 10.941 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.235 11.121 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 33 15.419 10.081 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.556 11.216 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.975 10.902 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.673 12.541 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.736 11.576 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.866 12.938 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.302 11.561 -8.402 1.00 0.00 H new ATOM 196 N LEU A 34 17.412 13.869 -3.905 1.00 0.00 N ATOM 197 CA LEU A 34 17.216 14.844 -2.814 1.00 0.00 C ATOM 198 C LEU A 34 17.322 16.282 -3.345 1.00 0.00 C ATOM 199 O LEU A 34 16.495 17.121 -3.009 1.00 0.00 O ATOM 200 CB LEU A 34 18.316 14.556 -1.788 1.00 0.00 C ATOM 201 CG LEU A 34 18.506 15.506 -0.590 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.718 14.904 0.144 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.962 16.933 -0.904 1.00 0.00 C ATOM 0 H LEU A 34 18.065 13.128 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 34 16.226 14.750 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.136 13.558 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.263 14.517 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 34 17.544 15.581 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.946 15.506 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.487 13.884 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.580 14.895 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.057 17.497 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.926 16.903 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.228 17.416 -1.548 1.00 0.00 H new ATOM 215 N LYS A 35 18.306 16.572 -4.207 1.00 0.00 N ATOM 216 CA LYS A 35 18.469 17.901 -4.830 1.00 0.00 C ATOM 217 C LYS A 35 17.282 18.297 -5.717 1.00 0.00 C ATOM 218 O LYS A 35 16.901 19.464 -5.692 1.00 0.00 O ATOM 219 CB LYS A 35 19.814 17.972 -5.573 1.00 0.00 C ATOM 220 CG LYS A 35 21.043 18.103 -4.649 1.00 0.00 C ATOM 221 CD LYS A 35 21.192 19.472 -3.946 1.00 0.00 C ATOM 222 CE LYS A 35 20.567 19.526 -2.539 1.00 0.00 C ATOM 223 NZ LYS A 35 20.693 20.878 -1.921 1.00 0.00 N ATOM 0 H LYS A 35 19.013 15.895 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 35 18.481 18.644 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.927 17.076 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.795 18.822 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.990 17.325 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.942 17.914 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.251 19.717 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.730 20.240 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.514 19.252 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.051 18.789 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.929 21.016 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.613 20.956 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.625 21.606 -2.661 1.00 0.00 H new ATOM 237 N ILE A 36 16.627 17.349 -6.398 1.00 0.00 N ATOM 238 CA ILE A 36 15.341 17.600 -7.082 1.00 0.00 C ATOM 239 C ILE A 36 14.283 17.968 -6.041 1.00 0.00 C ATOM 240 O ILE A 36 13.508 18.894 -6.247 1.00 0.00 O ATOM 241 CB ILE A 36 14.856 16.390 -7.911 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.945 15.809 -8.829 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.625 16.765 -8.753 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.727 16.822 -9.668 1.00 0.00 C ATOM 0 H ILE A 36 16.966 16.392 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 36 15.497 18.421 -7.782 1.00 0.00 H new ATOM 0 HB ILE A 36 14.593 15.618 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.653 15.254 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.478 15.092 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.300 15.898 -9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.818 17.086 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.883 17.577 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.466 16.299 -10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.040 17.363 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.233 17.527 -9.009 1.00 0.00 H new ATOM 256 N LEU A 37 14.289 17.284 -4.893 1.00 0.00 N ATOM 257 CA LEU A 37 13.315 17.471 -3.816 1.00 0.00 C ATOM 258 C LEU A 37 13.429 18.841 -3.137 1.00 0.00 C ATOM 259 O LEU A 37 12.434 19.555 -3.021 1.00 0.00 O ATOM 260 CB LEU A 37 13.299 16.243 -2.887 1.00 0.00 C ATOM 261 CG LEU A 37 12.925 14.952 -3.648 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.068 13.722 -2.766 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.488 14.962 -4.158 1.00 0.00 C ATOM 0 H LEU A 37 14.986 16.570 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 37 12.313 17.515 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.280 16.122 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.586 16.408 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 37 13.616 14.914 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.796 12.833 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.100 13.635 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.410 13.815 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.282 14.030 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.804 15.062 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.350 15.802 -4.839 1.00 0.00 H new ATOM 275 N HIS A 38 14.642 19.280 -2.803 1.00 0.00 N ATOM 276 CA HIS A 38 14.896 20.651 -2.333 1.00 0.00 C ATOM 277 C HIS A 38 14.534 21.688 -3.419 1.00 0.00 C ATOM 278 O HIS A 38 13.842 22.663 -3.127 1.00 0.00 O ATOM 279 CB HIS A 38 16.378 20.810 -1.961 1.00 0.00 C ATOM 280 CG HIS A 38 16.817 20.152 -0.674 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.030 20.417 -0.031 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.127 19.224 0.053 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.036 19.655 1.075 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.913 18.918 1.143 1.00 0.00 N ATOM 0 H HIS A 38 15.479 18.699 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 38 14.271 20.827 -1.458 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.981 20.407 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.602 21.875 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.157 18.811 -0.180 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.830 19.637 1.806 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.682 18.247 1.876 1.00 0.00 H new ATOM 292 N ALA A 39 14.938 21.474 -4.682 1.00 0.00 N ATOM 293 CA ALA A 39 14.660 22.398 -5.792 1.00 0.00 C ATOM 294 C ALA A 39 13.157 22.509 -6.126 1.00 0.00 C ATOM 295 O ALA A 39 12.686 23.570 -6.540 1.00 0.00 O ATOM 296 CB ALA A 39 15.467 21.954 -7.018 1.00 0.00 C ATOM 0 H ALA A 39 15.470 20.650 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 39 14.965 23.398 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.269 22.632 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.530 21.972 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.176 20.942 -7.298 1.00 0.00 H new ATOM 302 N ALA A 40 12.391 21.440 -5.883 1.00 0.00 N ATOM 303 CA ALA A 40 10.926 21.422 -5.940 1.00 0.00 C ATOM 304 C ALA A 40 10.235 22.252 -4.838 1.00 0.00 C ATOM 305 O ALA A 40 9.012 22.399 -4.871 1.00 0.00 O ATOM 306 CB ALA A 40 10.456 19.968 -5.856 1.00 0.00 C ATOM 0 H ALA A 40 12.787 20.534 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 40 10.641 21.889 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.367 19.935 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.868 19.404 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.797 19.529 -4.919 1.00 0.00 H new ATOM 312 N GLY A 41 10.990 22.769 -3.861 1.00 0.00 N ATOM 313 CA GLY A 41 10.504 23.617 -2.768 1.00 0.00 C ATOM 314 C GLY A 41 10.743 23.049 -1.363 1.00 0.00 C ATOM 315 O GLY A 41 10.403 23.717 -0.383 1.00 0.00 O ATOM 0 H GLY A 41 11.995 22.601 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.988 24.591 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.435 23.782 -2.902 1.00 0.00 H new ATOM 319 N ALA A 42 11.317 21.844 -1.238 1.00 0.00 N ATOM 320 CA ALA A 42 11.636 21.244 0.056 1.00 0.00 C ATOM 321 C ALA A 42 12.942 21.792 0.684 1.00 0.00 C ATOM 322 O ALA A 42 13.596 22.712 0.187 1.00 0.00 O ATOM 323 CB ALA A 42 11.640 19.711 -0.085 1.00 0.00 C ATOM 0 H ALA A 42 11.572 21.261 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 42 10.859 21.531 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.877 19.258 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.657 19.373 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.389 19.415 -0.820 1.00 0.00 H new ATOM 329 N GLN A 43 13.293 21.180 1.811 1.00 0.00 N ATOM 330 CA GLN A 43 14.438 21.421 2.697 1.00 0.00 C ATOM 331 C GLN A 43 14.448 20.306 3.766 1.00 0.00 C ATOM 332 O GLN A 43 13.390 19.942 4.287 1.00 0.00 O ATOM 333 CB GLN A 43 14.316 22.808 3.367 1.00 0.00 C ATOM 334 CG GLN A 43 15.470 23.156 4.325 1.00 0.00 C ATOM 335 CD GLN A 43 16.840 23.112 3.647 1.00 0.00 C ATOM 336 OE1 GLN A 43 17.521 22.093 3.642 1.00 0.00 O ATOM 337 NE2 GLN A 43 17.285 24.187 3.030 1.00 0.00 N ATOM 0 H GLN A 43 12.720 20.416 2.170 1.00 0.00 H new ATOM 0 HA GLN A 43 15.368 21.408 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.263 23.570 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.377 22.850 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.306 24.152 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.462 22.459 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.727 25.041 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.187 24.166 2.555 1.00 0.00 H new ATOM 346 N GLY A 44 15.625 19.765 4.095 1.00 0.00 N ATOM 347 CA GLY A 44 15.778 18.563 4.926 1.00 0.00 C ATOM 348 C GLY A 44 15.446 17.286 4.143 1.00 0.00 C ATOM 349 O GLY A 44 14.361 17.135 3.591 1.00 0.00 O ATOM 0 H GLY A 44 16.515 20.156 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.801 18.506 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.125 18.637 5.796 1.00 0.00 H new ATOM 353 N GLU A 45 16.402 16.361 4.053 1.00 0.00 N ATOM 354 CA GLU A 45 16.386 15.169 3.193 1.00 0.00 C ATOM 355 C GLU A 45 15.571 13.992 3.749 1.00 0.00 C ATOM 356 O GLU A 45 16.025 12.848 3.778 1.00 0.00 O ATOM 357 CB GLU A 45 17.830 14.805 2.832 1.00 0.00 C ATOM 358 CG GLU A 45 18.716 14.545 4.065 1.00 0.00 C ATOM 359 CD GLU A 45 20.014 13.793 3.724 1.00 0.00 C ATOM 360 OE1 GLU A 45 21.042 14.439 3.409 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.014 12.542 3.838 1.00 0.00 O ATOM 0 H GLU A 45 17.256 16.423 4.607 1.00 0.00 H new ATOM 0 HA GLU A 45 15.844 15.417 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.827 13.916 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.265 15.613 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.966 15.497 4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.150 13.969 4.797 1.00 0.00 H new ATOM 368 N MET A 46 14.359 14.267 4.220 1.00 0.00 N ATOM 369 CA MET A 46 13.440 13.259 4.748 1.00 0.00 C ATOM 370 C MET A 46 12.002 13.556 4.284 1.00 0.00 C ATOM 371 O MET A 46 11.308 14.408 4.839 1.00 0.00 O ATOM 372 CB MET A 46 13.539 13.232 6.282 1.00 0.00 C ATOM 373 CG MET A 46 14.766 12.445 6.759 1.00 0.00 C ATOM 374 SD MET A 46 14.701 11.912 8.491 1.00 0.00 S ATOM 375 CE MET A 46 13.469 10.583 8.352 1.00 0.00 C ATOM 0 H MET A 46 13.979 15.213 4.247 1.00 0.00 H new ATOM 0 HA MET A 46 13.714 12.276 4.366 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.592 14.253 6.661 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.636 12.784 6.697 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.884 11.565 6.127 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.654 13.061 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.680 10.740 9.087 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.039 10.589 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.949 9.622 8.535 1.00 0.00 H new ATOM 385 N PHE A 47 11.567 12.831 3.252 1.00 0.00 N ATOM 386 CA PHE A 47 10.245 12.914 2.606 1.00 0.00 C ATOM 387 C PHE A 47 9.875 11.534 2.031 1.00 0.00 C ATOM 388 O PHE A 47 10.642 10.983 1.251 1.00 0.00 O ATOM 389 CB PHE A 47 10.242 14.005 1.505 1.00 0.00 C ATOM 390 CG PHE A 47 11.593 14.580 1.094 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.623 13.734 0.638 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.832 15.963 1.196 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.883 14.261 0.312 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.085 16.492 0.840 1.00 0.00 C ATOM 395 CZ PHE A 47 14.110 15.645 0.390 1.00 0.00 C ATOM 0 H PHE A 47 12.160 12.126 2.814 1.00 0.00 H new ATOM 0 HA PHE A 47 9.496 13.198 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.767 13.588 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.614 14.828 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.442 12.674 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.051 16.620 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.679 13.601 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.260 17.555 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.068 16.055 0.105 1.00 0.00 H new ATOM 405 N THR A 48 8.745 10.944 2.439 1.00 0.00 N ATOM 406 CA THR A 48 8.293 9.581 2.045 1.00 0.00 C ATOM 407 C THR A 48 7.726 9.570 0.617 1.00 0.00 C ATOM 408 O THR A 48 7.541 10.634 0.041 1.00 0.00 O ATOM 409 CB THR A 48 7.262 9.044 3.067 1.00 0.00 C ATOM 410 OG1 THR A 48 6.508 10.114 3.597 1.00 0.00 O ATOM 411 CG2 THR A 48 7.936 8.340 4.250 1.00 0.00 C ATOM 0 H THR A 48 8.092 11.406 3.072 1.00 0.00 H new ATOM 0 HA THR A 48 9.158 8.918 2.050 1.00 0.00 H new ATOM 0 HB THR A 48 6.632 8.334 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.856 9.767 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.174 7.980 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.523 7.497 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.591 9.042 4.766 1.00 0.00 H new ATOM 419 N VAL A 49 7.409 8.411 0.008 1.00 0.00 N ATOM 420 CA VAL A 49 6.939 8.340 -1.410 1.00 0.00 C ATOM 421 C VAL A 49 5.754 9.270 -1.705 1.00 0.00 C ATOM 422 O VAL A 49 5.712 9.914 -2.751 1.00 0.00 O ATOM 423 CB VAL A 49 6.623 6.890 -1.843 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.461 6.234 -1.085 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.364 6.771 -3.348 1.00 0.00 C ATOM 0 H VAL A 49 7.467 7.503 0.468 1.00 0.00 H new ATOM 0 HA VAL A 49 7.775 8.699 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 49 7.530 6.346 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.312 5.220 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.693 6.201 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.552 6.814 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.147 5.733 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.514 7.396 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.247 7.100 -3.896 1.00 0.00 H new ATOM 435 N LYS A 50 4.854 9.417 -0.727 1.00 0.00 N ATOM 436 CA LYS A 50 3.706 10.341 -0.749 1.00 0.00 C ATOM 437 C LYS A 50 4.132 11.801 -0.975 1.00 0.00 C ATOM 438 O LYS A 50 3.515 12.526 -1.755 1.00 0.00 O ATOM 439 CB LYS A 50 2.964 10.214 0.593 1.00 0.00 C ATOM 440 CG LYS A 50 2.333 8.825 0.813 1.00 0.00 C ATOM 441 CD LYS A 50 1.639 8.693 2.179 1.00 0.00 C ATOM 442 CE LYS A 50 2.632 8.763 3.353 1.00 0.00 C ATOM 443 NZ LYS A 50 1.950 8.539 4.661 1.00 0.00 N ATOM 0 H LYS A 50 4.904 8.877 0.137 1.00 0.00 H new ATOM 0 HA LYS A 50 3.059 10.070 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.660 10.422 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.182 10.972 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.608 8.631 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.107 8.062 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.899 9.486 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.100 7.747 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.412 8.015 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.122 9.737 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.648 8.593 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.222 9.268 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.504 7.600 4.664 1.00 0.00 H new ATOM 457 N GLU A 51 5.223 12.205 -0.328 1.00 0.00 N ATOM 458 CA GLU A 51 5.851 13.526 -0.449 1.00 0.00 C ATOM 459 C GLU A 51 6.729 13.625 -1.706 1.00 0.00 C ATOM 460 O GLU A 51 6.637 14.602 -2.445 1.00 0.00 O ATOM 461 CB GLU A 51 6.678 13.805 0.820 1.00 0.00 C ATOM 462 CG GLU A 51 5.874 13.763 2.128 1.00 0.00 C ATOM 463 CD GLU A 51 4.708 14.771 2.133 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.954 15.991 2.294 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.533 14.353 1.987 1.00 0.00 O ATOM 0 H GLU A 51 5.718 11.597 0.324 1.00 0.00 H new ATOM 0 HA GLU A 51 5.069 14.278 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.484 13.074 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.144 14.786 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.482 12.757 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.538 13.975 2.966 1.00 0.00 H new ATOM 472 N VAL A 52 7.539 12.599 -1.997 1.00 0.00 N ATOM 473 CA VAL A 52 8.438 12.543 -3.167 1.00 0.00 C ATOM 474 C VAL A 52 7.663 12.713 -4.471 1.00 0.00 C ATOM 475 O VAL A 52 8.050 13.531 -5.300 1.00 0.00 O ATOM 476 CB VAL A 52 9.240 11.225 -3.187 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.040 11.009 -4.477 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.226 11.176 -2.019 1.00 0.00 C ATOM 0 H VAL A 52 7.592 11.763 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 52 9.140 13.372 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 52 8.491 10.436 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.578 10.063 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.359 10.987 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.753 11.824 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.782 10.239 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.921 12.013 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.679 11.242 -1.078 1.00 0.00 H new ATOM 488 N MET A 53 6.552 11.994 -4.654 1.00 0.00 N ATOM 489 CA MET A 53 5.750 12.098 -5.879 1.00 0.00 C ATOM 490 C MET A 53 5.071 13.468 -6.002 1.00 0.00 C ATOM 491 O MET A 53 5.075 14.046 -7.085 1.00 0.00 O ATOM 492 CB MET A 53 4.721 10.958 -5.936 1.00 0.00 C ATOM 493 CG MET A 53 5.380 9.582 -6.095 1.00 0.00 C ATOM 494 SD MET A 53 6.490 9.358 -7.519 1.00 0.00 S ATOM 495 CE MET A 53 5.349 9.645 -8.899 1.00 0.00 C ATOM 0 H MET A 53 6.186 11.332 -3.969 1.00 0.00 H new ATOM 0 HA MET A 53 6.423 12.002 -6.731 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.122 10.968 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.039 11.129 -6.769 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.946 9.370 -5.188 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.590 8.834 -6.160 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.902 9.630 -9.838 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.590 8.863 -8.912 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.868 10.615 -8.777 1.00 0.00 H new ATOM 505 N HIS A 54 4.576 14.040 -4.899 1.00 0.00 N ATOM 506 CA HIS A 54 4.076 15.427 -4.855 1.00 0.00 C ATOM 507 C HIS A 54 5.138 16.431 -5.316 1.00 0.00 C ATOM 508 O HIS A 54 4.915 17.152 -6.289 1.00 0.00 O ATOM 509 CB HIS A 54 3.556 15.744 -3.445 1.00 0.00 C ATOM 510 CG HIS A 54 3.175 17.192 -3.267 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.096 17.831 -3.886 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.874 18.107 -2.533 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.171 19.119 -3.507 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.221 19.309 -2.689 1.00 0.00 N ATOM 0 H HIS A 54 4.509 13.555 -4.004 1.00 0.00 H new ATOM 0 HA HIS A 54 3.247 15.521 -5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.689 15.118 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.322 15.484 -2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.762 17.924 -1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.484 19.893 -3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.488 20.194 -2.257 1.00 0.00 H new ATOM 522 N TYR A 55 6.317 16.418 -4.690 1.00 0.00 N ATOM 523 CA TYR A 55 7.473 17.226 -5.085 1.00 0.00 C ATOM 524 C TYR A 55 7.892 16.995 -6.545 1.00 0.00 C ATOM 525 O TYR A 55 8.174 17.966 -7.238 1.00 0.00 O ATOM 526 CB TYR A 55 8.641 16.993 -4.113 1.00 0.00 C ATOM 527 CG TYR A 55 8.478 17.671 -2.759 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.295 19.069 -2.686 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.521 16.915 -1.570 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.116 19.701 -1.440 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.352 17.544 -0.321 1.00 0.00 C ATOM 532 CZ TYR A 55 8.140 18.937 -0.252 1.00 0.00 C ATOM 533 OH TYR A 55 7.975 19.537 0.961 1.00 0.00 O ATOM 0 H TYR A 55 6.499 15.832 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 55 7.175 18.273 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.759 15.921 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.560 17.351 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.292 19.658 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.684 15.848 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.961 20.769 -1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.385 16.958 0.586 1.00 0.00 H new ATOM 0 HH TYR A 55 8.019 18.861 1.669 1.00 0.00 H new ATOM 543 N LEU A 56 7.863 15.760 -7.057 1.00 0.00 N ATOM 544 CA LEU A 56 8.187 15.450 -8.456 1.00 0.00 C ATOM 545 C LEU A 56 7.173 16.067 -9.427 1.00 0.00 C ATOM 546 O LEU A 56 7.564 16.730 -10.385 1.00 0.00 O ATOM 547 CB LEU A 56 8.255 13.921 -8.641 1.00 0.00 C ATOM 548 CG LEU A 56 9.569 13.289 -8.151 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.421 11.771 -8.101 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.728 13.598 -9.095 1.00 0.00 C ATOM 0 H LEU A 56 7.612 14.938 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 56 9.158 15.889 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.422 13.463 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.123 13.687 -9.697 1.00 0.00 H new ATOM 0 HG LEU A 56 9.778 13.705 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.353 11.326 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.615 11.506 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.189 11.395 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.639 13.135 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.505 13.203 -10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.868 14.677 -9.158 1.00 0.00 H new ATOM 562 N GLY A 57 5.876 15.904 -9.162 1.00 0.00 N ATOM 563 CA GLY A 57 4.817 16.475 -9.993 1.00 0.00 C ATOM 564 C GLY A 57 4.856 18.001 -9.992 1.00 0.00 C ATOM 565 O GLY A 57 4.883 18.632 -11.053 1.00 0.00 O ATOM 0 H GLY A 57 5.531 15.371 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.920 16.109 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.847 16.136 -9.629 1.00 0.00 H new ATOM 569 N GLN A 58 4.973 18.607 -8.804 1.00 0.00 N ATOM 570 CA GLN A 58 5.046 20.062 -8.702 1.00 0.00 C ATOM 571 C GLN A 58 6.356 20.624 -9.283 1.00 0.00 C ATOM 572 O GLN A 58 6.317 21.682 -9.898 1.00 0.00 O ATOM 573 CB GLN A 58 4.654 20.564 -7.299 1.00 0.00 C ATOM 574 CG GLN A 58 5.694 20.480 -6.176 1.00 0.00 C ATOM 575 CD GLN A 58 5.309 21.369 -4.986 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.148 21.537 -4.634 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.252 21.994 -4.314 1.00 0.00 N ATOM 0 H GLN A 58 5.018 18.115 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 58 4.281 20.489 -9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.351 21.607 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.775 20.004 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.789 19.446 -5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.669 20.783 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.230 21.877 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.005 22.595 -3.528 1.00 0.00 H new ATOM 586 N TYR A 59 7.484 19.902 -9.215 1.00 0.00 N ATOM 587 CA TYR A 59 8.729 20.248 -9.924 1.00 0.00 C ATOM 588 C TYR A 59 8.542 20.246 -11.444 1.00 0.00 C ATOM 589 O TYR A 59 8.926 21.210 -12.102 1.00 0.00 O ATOM 590 CB TYR A 59 9.836 19.265 -9.523 1.00 0.00 C ATOM 591 CG TYR A 59 11.183 19.432 -10.207 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.445 18.753 -11.413 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.198 20.203 -9.604 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.711 18.849 -12.019 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.471 20.295 -10.205 1.00 0.00 C ATOM 596 CZ TYR A 59 13.729 19.620 -11.421 1.00 0.00 C ATOM 597 OH TYR A 59 14.955 19.704 -12.002 1.00 0.00 O ATOM 0 H TYR A 59 7.560 19.050 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 59 9.012 21.260 -9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.989 19.347 -8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.479 18.254 -9.718 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.671 18.157 -11.874 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.000 20.725 -8.679 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.904 18.330 -12.946 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.248 20.881 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 59 15.046 19.000 -12.677 1.00 0.00 H new ATOM 607 N ILE A 60 7.898 19.217 -12.006 1.00 0.00 N ATOM 608 CA ILE A 60 7.607 19.129 -13.446 1.00 0.00 C ATOM 609 C ILE A 60 6.741 20.326 -13.884 1.00 0.00 C ATOM 610 O ILE A 60 7.086 21.011 -14.853 1.00 0.00 O ATOM 611 CB ILE A 60 7.007 17.733 -13.771 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.089 16.638 -13.592 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.434 17.611 -15.196 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.521 15.215 -13.500 1.00 0.00 C ATOM 0 H ILE A 60 7.561 18.415 -11.473 1.00 0.00 H new ATOM 0 HA ILE A 60 8.520 19.204 -14.036 1.00 0.00 H new ATOM 0 HB ILE A 60 6.179 17.602 -13.074 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.785 16.688 -14.429 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.661 16.850 -12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.035 16.607 -15.343 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.637 18.342 -15.331 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.224 17.797 -15.923 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.338 14.504 -13.376 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.847 15.147 -12.646 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.973 14.982 -14.413 1.00 0.00 H new ATOM 626 N MET A 61 5.694 20.666 -13.123 1.00 0.00 N ATOM 627 CA MET A 61 4.871 21.863 -13.370 1.00 0.00 C ATOM 628 C MET A 61 5.637 23.190 -13.195 1.00 0.00 C ATOM 629 O MET A 61 5.427 24.111 -13.984 1.00 0.00 O ATOM 630 CB MET A 61 3.622 21.848 -12.469 1.00 0.00 C ATOM 631 CG MET A 61 2.415 21.123 -13.083 1.00 0.00 C ATOM 632 SD MET A 61 2.575 19.338 -13.374 1.00 0.00 S ATOM 633 CE MET A 61 3.117 19.306 -15.102 1.00 0.00 C ATOM 0 H MET A 61 5.391 20.120 -12.317 1.00 0.00 H new ATOM 0 HA MET A 61 4.575 21.817 -14.418 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.876 21.371 -11.522 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.338 22.876 -12.242 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.557 21.283 -12.429 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.183 21.600 -14.035 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.154 18.275 -15.453 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.415 19.873 -15.714 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.109 19.752 -15.181 1.00 0.00 H new ATOM 643 N VAL A 62 6.539 23.306 -12.211 1.00 0.00 N ATOM 644 CA VAL A 62 7.284 24.538 -11.904 1.00 0.00 C ATOM 645 C VAL A 62 8.387 24.810 -12.925 1.00 0.00 C ATOM 646 O VAL A 62 8.547 25.943 -13.384 1.00 0.00 O ATOM 647 CB VAL A 62 7.825 24.429 -10.461 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.061 25.265 -10.151 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.723 24.815 -9.470 1.00 0.00 C ATOM 0 H VAL A 62 6.777 22.531 -11.592 1.00 0.00 H new ATOM 0 HA VAL A 62 6.617 25.397 -11.971 1.00 0.00 H new ATOM 0 HB VAL A 62 8.134 23.388 -10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.353 25.112 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.878 24.963 -10.806 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.837 26.319 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.106 24.738 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.404 25.840 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.874 24.143 -9.590 1.00 0.00 H new ATOM 659 N LYS A 63 9.117 23.763 -13.315 1.00 0.00 N ATOM 660 CA LYS A 63 10.167 23.815 -14.341 1.00 0.00 C ATOM 661 C LYS A 63 9.607 23.718 -15.772 1.00 0.00 C ATOM 662 O LYS A 63 10.317 24.072 -16.713 1.00 0.00 O ATOM 663 CB LYS A 63 11.225 22.736 -14.037 1.00 0.00 C ATOM 664 CG LYS A 63 11.920 22.848 -12.668 1.00 0.00 C ATOM 665 CD LYS A 63 12.701 24.158 -12.484 1.00 0.00 C ATOM 666 CE LYS A 63 13.485 24.128 -11.164 1.00 0.00 C ATOM 667 NZ LYS A 63 14.266 25.382 -10.963 1.00 0.00 N ATOM 0 H LYS A 63 8.993 22.832 -12.918 1.00 0.00 H new ATOM 0 HA LYS A 63 10.647 24.793 -14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.749 21.758 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.988 22.772 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.170 22.767 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.602 22.007 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.387 24.301 -13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.013 25.003 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.794 23.991 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.161 23.273 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.783 25.328 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.942 25.499 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.618 26.195 -10.942 1.00 0.00 H new ATOM 681 N GLN A 64 8.341 23.302 -15.944 1.00 0.00 N ATOM 682 CA GLN A 64 7.630 23.212 -17.235 1.00 0.00 C ATOM 683 C GLN A 64 8.176 22.100 -18.145 1.00 0.00 C ATOM 684 O GLN A 64 8.457 22.283 -19.330 1.00 0.00 O ATOM 685 CB GLN A 64 7.453 24.586 -17.910 1.00 0.00 C ATOM 686 CG GLN A 64 6.859 25.609 -16.934 1.00 0.00 C ATOM 687 CD GLN A 64 6.533 26.935 -17.618 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.396 27.226 -17.969 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.511 27.789 -17.849 1.00 0.00 N ATOM 0 H GLN A 64 7.761 23.007 -15.159 1.00 0.00 H new ATOM 0 HA GLN A 64 6.612 22.889 -17.015 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.417 24.943 -18.273 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.802 24.487 -18.778 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.953 25.200 -16.488 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.563 25.785 -16.121 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.464 27.563 -17.563 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.315 28.676 -18.313 1.00 0.00 H new ATOM 698 N LEU A 65 8.303 20.916 -17.544 1.00 0.00 N ATOM 699 CA LEU A 65 8.830 19.675 -18.121 1.00 0.00 C ATOM 700 C LEU A 65 7.715 18.836 -18.771 1.00 0.00 C ATOM 701 O LEU A 65 7.680 17.621 -18.621 1.00 0.00 O ATOM 702 CB LEU A 65 9.574 18.928 -16.994 1.00 0.00 C ATOM 703 CG LEU A 65 11.027 19.351 -16.705 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.378 20.810 -16.958 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.358 19.002 -15.254 1.00 0.00 C ATOM 0 H LEU A 65 8.021 20.788 -16.572 1.00 0.00 H new ATOM 0 HA LEU A 65 9.526 19.887 -18.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.999 19.045 -16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.574 17.865 -17.236 1.00 0.00 H new ATOM 0 HG LEU A 65 11.628 18.798 -17.427 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.427 20.979 -16.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.204 21.050 -18.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.755 21.448 -16.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.384 19.296 -15.034 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.678 19.533 -14.588 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.248 17.928 -15.104 1.00 0.00 H new ATOM 717 N TYR A 66 6.752 19.457 -19.447 1.00 0.00 N ATOM 718 CA TYR A 66 5.601 18.763 -20.043 1.00 0.00 C ATOM 719 C TYR A 66 5.096 19.458 -21.326 1.00 0.00 C ATOM 720 O TYR A 66 5.441 20.613 -21.592 1.00 0.00 O ATOM 721 CB TYR A 66 4.481 18.664 -18.988 1.00 0.00 C ATOM 722 CG TYR A 66 3.858 19.993 -18.579 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.502 20.838 -17.651 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.621 20.381 -19.128 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.914 22.066 -17.282 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.032 21.607 -18.766 1.00 0.00 C ATOM 727 CZ TYR A 66 2.677 22.455 -17.843 1.00 0.00 C ATOM 728 OH TYR A 66 2.097 23.639 -17.497 1.00 0.00 O ATOM 0 H TYR A 66 6.743 20.465 -19.601 1.00 0.00 H new ATOM 0 HA TYR A 66 5.916 17.764 -20.344 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.695 18.016 -19.375 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.883 18.180 -18.098 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.448 20.544 -17.222 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.120 19.733 -19.832 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.410 22.709 -16.570 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.085 21.898 -19.196 1.00 0.00 H new ATOM 0 HH TYR A 66 1.251 23.743 -17.981 1.00 0.00 H new ATOM 738 N ASP A 67 4.271 18.772 -22.126 1.00 0.00 N ATOM 739 CA ASP A 67 3.631 19.354 -23.319 1.00 0.00 C ATOM 740 C ASP A 67 2.312 20.068 -22.974 1.00 0.00 C ATOM 741 O ASP A 67 1.491 19.539 -22.226 1.00 0.00 O ATOM 742 CB ASP A 67 3.383 18.273 -24.375 1.00 0.00 C ATOM 743 CG ASP A 67 2.862 18.889 -25.681 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.633 19.094 -25.791 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.686 19.211 -26.571 1.00 0.00 O ATOM 0 H ASP A 67 4.026 17.795 -21.967 1.00 0.00 H new ATOM 0 HA ASP A 67 4.316 20.100 -23.722 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.308 17.730 -24.569 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.661 17.549 -23.997 1.00 0.00 H new ATOM 750 N GLN A 68 2.067 21.252 -23.548 1.00 0.00 N ATOM 751 CA GLN A 68 0.901 22.072 -23.209 1.00 0.00 C ATOM 752 C GLN A 68 -0.462 21.506 -23.653 1.00 0.00 C ATOM 753 O GLN A 68 -1.488 21.909 -23.101 1.00 0.00 O ATOM 754 CB GLN A 68 1.135 23.504 -23.720 1.00 0.00 C ATOM 755 CG GLN A 68 1.069 23.645 -25.254 1.00 0.00 C ATOM 756 CD GLN A 68 1.343 25.068 -25.754 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.563 26.015 -25.007 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.340 25.280 -27.055 1.00 0.00 N ATOM 0 H GLN A 68 2.670 21.666 -24.258 1.00 0.00 H new ATOM 0 HA GLN A 68 0.820 22.067 -22.122 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.391 24.164 -23.273 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.111 23.846 -23.376 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.793 22.966 -25.704 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.083 23.333 -25.597 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.160 24.508 -27.697 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.518 26.216 -27.420 1.00 0.00 H new ATOM 767 N GLN A 69 -0.490 20.564 -24.603 1.00 0.00 N ATOM 768 CA GLN A 69 -1.691 19.842 -25.044 1.00 0.00 C ATOM 769 C GLN A 69 -1.691 18.378 -24.566 1.00 0.00 C ATOM 770 O GLN A 69 -2.755 17.832 -24.269 1.00 0.00 O ATOM 771 CB GLN A 69 -1.796 19.957 -26.576 1.00 0.00 C ATOM 772 CG GLN A 69 -3.028 19.279 -27.203 1.00 0.00 C ATOM 773 CD GLN A 69 -4.361 19.838 -26.702 1.00 0.00 C ATOM 774 OE1 GLN A 69 -4.943 20.750 -27.279 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.899 19.325 -25.614 1.00 0.00 N ATOM 0 H GLN A 69 0.350 20.273 -25.103 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.573 20.295 -24.592 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.807 21.013 -26.845 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.899 19.524 -27.019 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.981 19.392 -28.286 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.990 18.210 -26.992 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.428 18.566 -25.122 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.786 19.687 -25.264 1.00 0.00 H new ATOM 784 N GLU A 70 -0.518 17.755 -24.434 1.00 0.00 N ATOM 785 CA GLU A 70 -0.336 16.405 -23.875 1.00 0.00 C ATOM 786 C GLU A 70 0.180 16.504 -22.432 1.00 0.00 C ATOM 787 O GLU A 70 1.285 16.075 -22.109 1.00 0.00 O ATOM 788 CB GLU A 70 0.519 15.521 -24.803 1.00 0.00 C ATOM 789 CG GLU A 70 -0.183 15.253 -26.141 1.00 0.00 C ATOM 790 CD GLU A 70 0.597 14.219 -26.974 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.488 14.611 -27.768 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.314 13.001 -26.854 1.00 0.00 O ATOM 0 H GLU A 70 0.361 18.186 -24.721 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.298 15.894 -23.822 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.477 16.007 -24.986 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.732 14.573 -24.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.195 14.891 -25.959 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.274 16.184 -26.701 1.00 0.00 H new ATOM 799 N GLN A 71 -0.626 17.103 -21.548 1.00 0.00 N ATOM 800 CA GLN A 71 -0.207 17.458 -20.182 1.00 0.00 C ATOM 801 C GLN A 71 0.038 16.231 -19.277 1.00 0.00 C ATOM 802 O GLN A 71 0.719 16.341 -18.258 1.00 0.00 O ATOM 803 CB GLN A 71 -1.225 18.432 -19.563 1.00 0.00 C ATOM 804 CG GLN A 71 -1.334 19.754 -20.347 1.00 0.00 C ATOM 805 CD GLN A 71 -2.311 20.763 -19.738 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.816 20.626 -18.629 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.617 21.831 -20.446 1.00 0.00 N ATOM 0 H GLN A 71 -1.591 17.357 -21.758 1.00 0.00 H new ATOM 0 HA GLN A 71 0.761 17.953 -20.256 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.204 17.954 -19.527 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.937 18.647 -18.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.346 20.211 -20.406 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.645 19.534 -21.368 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.208 21.964 -21.371 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.263 22.525 -20.069 1.00 0.00 H new ATOM 816 N HIS A 72 -0.466 15.054 -19.669 1.00 0.00 N ATOM 817 CA HIS A 72 -0.172 13.744 -19.069 1.00 0.00 C ATOM 818 C HIS A 72 1.205 13.179 -19.475 1.00 0.00 C ATOM 819 O HIS A 72 1.658 12.187 -18.900 1.00 0.00 O ATOM 820 CB HIS A 72 -1.278 12.774 -19.508 1.00 0.00 C ATOM 821 CG HIS A 72 -1.312 12.573 -21.008 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.927 13.427 -21.931 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.666 11.582 -21.686 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.659 12.909 -23.143 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.899 11.806 -23.025 1.00 0.00 N ATOM 0 H HIS A 72 -1.120 14.985 -20.449 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.141 13.865 -17.986 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.128 11.811 -19.019 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.243 13.154 -19.174 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.085 10.779 -21.257 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.005 13.321 -24.079 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.554 11.233 -23.795 1.00 0.00 H new ATOM 833 N MET A 73 1.855 13.782 -20.473 1.00 0.00 N ATOM 834 CA MET A 73 3.140 13.378 -21.040 1.00 0.00 C ATOM 835 C MET A 73 4.253 14.329 -20.576 1.00 0.00 C ATOM 836 O MET A 73 4.128 15.555 -20.661 1.00 0.00 O ATOM 837 CB MET A 73 3.018 13.330 -22.573 1.00 0.00 C ATOM 838 CG MET A 73 4.227 12.694 -23.225 1.00 0.00 C ATOM 839 SD MET A 73 4.379 10.929 -22.890 1.00 0.00 S ATOM 840 CE MET A 73 6.078 10.846 -23.448 1.00 0.00 C ATOM 0 H MET A 73 1.476 14.611 -20.931 1.00 0.00 H new ATOM 0 HA MET A 73 3.409 12.382 -20.687 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.124 12.770 -22.847 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.891 14.342 -22.957 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.172 12.848 -24.303 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.127 13.201 -22.876 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.232 9.925 -24.011 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.293 11.702 -24.087 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.745 10.860 -22.586 1.00 0.00 H new ATOM 850 N VAL A 74 5.357 13.765 -20.087 1.00 0.00 N ATOM 851 CA VAL A 74 6.481 14.497 -19.499 1.00 0.00 C ATOM 852 C VAL A 74 7.600 14.598 -20.531 1.00 0.00 C ATOM 853 O VAL A 74 7.890 13.639 -21.246 1.00 0.00 O ATOM 854 CB VAL A 74 6.930 13.836 -18.178 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.082 14.592 -17.511 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.766 13.814 -17.176 1.00 0.00 C ATOM 0 H VAL A 74 5.499 12.755 -20.089 1.00 0.00 H new ATOM 0 HA VAL A 74 6.179 15.511 -19.237 1.00 0.00 H new ATOM 0 HB VAL A 74 7.258 12.829 -18.436 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.361 14.087 -16.586 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.939 14.616 -18.184 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.767 15.611 -17.288 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.094 13.346 -16.248 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.442 14.835 -16.973 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.936 13.246 -17.595 1.00 0.00 H new ATOM 866 N TYR A 75 8.221 15.772 -20.596 1.00 0.00 N ATOM 867 CA TYR A 75 9.265 16.176 -21.533 1.00 0.00 C ATOM 868 C TYR A 75 10.385 16.918 -20.790 1.00 0.00 C ATOM 869 O TYR A 75 10.587 18.127 -20.906 1.00 0.00 O ATOM 870 CB TYR A 75 8.647 16.977 -22.686 1.00 0.00 C ATOM 871 CG TYR A 75 7.976 16.064 -23.689 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.767 15.136 -24.390 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.583 16.095 -23.883 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.168 14.235 -25.285 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.982 15.214 -24.804 1.00 0.00 C ATOM 876 CZ TYR A 75 6.775 14.278 -25.508 1.00 0.00 C ATOM 877 OH TYR A 75 6.210 13.416 -26.400 1.00 0.00 O ATOM 0 H TYR A 75 7.990 16.523 -19.946 1.00 0.00 H new ATOM 0 HA TYR A 75 9.732 15.300 -21.983 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.919 17.685 -22.291 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.422 17.561 -23.183 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.836 15.116 -24.240 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.975 16.793 -23.327 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.775 13.507 -25.804 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.916 15.253 -24.972 1.00 0.00 H new ATOM 0 HH TYR A 75 5.243 13.572 -26.438 1.00 0.00 H new ATOM 887 N CYS A 76 11.140 16.134 -20.028 1.00 0.00 N ATOM 888 CA CYS A 76 12.403 16.492 -19.361 1.00 0.00 C ATOM 889 C CYS A 76 13.608 16.562 -20.334 1.00 0.00 C ATOM 890 O CYS A 76 14.720 16.185 -19.961 1.00 0.00 O ATOM 891 CB CYS A 76 12.656 15.497 -18.210 1.00 0.00 C ATOM 892 SG CYS A 76 11.383 15.616 -16.924 1.00 0.00 S ATOM 0 H CYS A 76 10.875 15.166 -19.843 1.00 0.00 H new ATOM 0 HA CYS A 76 12.303 17.501 -18.961 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.679 14.482 -18.606 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.635 15.690 -17.771 1.00 0.00 H new ATOM 0 HG CYS A 76 11.638 14.759 -15.980 1.00 0.00 H new ATOM 898 N GLY A 77 13.397 17.045 -21.568 1.00 0.00 N ATOM 899 CA GLY A 77 14.324 17.000 -22.718 1.00 0.00 C ATOM 900 C GLY A 77 15.787 17.395 -22.463 1.00 0.00 C ATOM 901 O GLY A 77 16.688 16.839 -23.096 1.00 0.00 O ATOM 0 H GLY A 77 12.520 17.507 -21.808 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.314 15.987 -23.119 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.929 17.655 -23.495 1.00 0.00 H new ATOM 905 N GLY A 78 16.029 18.309 -21.520 1.00 0.00 N ATOM 906 CA GLY A 78 17.365 18.696 -21.049 1.00 0.00 C ATOM 907 C GLY A 78 17.468 18.857 -19.528 1.00 0.00 C ATOM 908 O GLY A 78 18.344 19.587 -19.059 1.00 0.00 O ATOM 0 H GLY A 78 15.280 18.816 -21.048 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.085 17.945 -21.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.648 19.636 -21.523 1.00 0.00 H new ATOM 912 N ASP A 79 16.567 18.241 -18.748 1.00 0.00 N ATOM 913 CA ASP A 79 16.513 18.442 -17.289 1.00 0.00 C ATOM 914 C ASP A 79 17.313 17.402 -16.498 1.00 0.00 C ATOM 915 O ASP A 79 17.338 16.219 -16.846 1.00 0.00 O ATOM 916 CB ASP A 79 15.067 18.499 -16.781 1.00 0.00 C ATOM 917 CG ASP A 79 15.036 19.196 -15.411 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.036 20.448 -15.377 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.080 18.487 -14.378 1.00 0.00 O ATOM 0 H ASP A 79 15.862 17.596 -19.104 1.00 0.00 H new ATOM 0 HA ASP A 79 16.989 19.407 -17.112 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.441 19.040 -17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.659 17.492 -16.699 1.00 0.00 H new ATOM 924 N LEU A 80 17.889 17.836 -15.373 1.00 0.00 N ATOM 925 CA LEU A 80 18.589 16.984 -14.415 1.00 0.00 C ATOM 926 C LEU A 80 17.727 15.797 -13.946 1.00 0.00 C ATOM 927 O LEU A 80 18.249 14.693 -13.811 1.00 0.00 O ATOM 928 CB LEU A 80 19.017 17.879 -13.236 1.00 0.00 C ATOM 929 CG LEU A 80 19.916 17.179 -12.202 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.292 16.827 -12.771 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.132 18.098 -10.998 1.00 0.00 C ATOM 0 H LEU A 80 17.879 18.818 -15.098 1.00 0.00 H new ATOM 0 HA LEU A 80 19.461 16.533 -14.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.544 18.749 -13.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.124 18.248 -12.732 1.00 0.00 H new ATOM 0 HG LEU A 80 19.407 16.259 -11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.888 16.335 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.173 16.157 -13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.796 17.738 -13.094 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.769 17.598 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.611 19.021 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.170 18.331 -10.541 1.00 0.00 H new ATOM 943 N LEU A 81 16.411 15.980 -13.769 1.00 0.00 N ATOM 944 CA LEU A 81 15.485 14.889 -13.448 1.00 0.00 C ATOM 945 C LEU A 81 15.435 13.838 -14.571 1.00 0.00 C ATOM 946 O LEU A 81 15.548 12.648 -14.291 1.00 0.00 O ATOM 947 CB LEU A 81 14.098 15.488 -13.131 1.00 0.00 C ATOM 948 CG LEU A 81 12.971 14.466 -12.878 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.286 13.489 -11.744 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.676 15.199 -12.529 1.00 0.00 C ATOM 0 H LEU A 81 15.959 16.891 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 81 15.840 14.356 -12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.190 16.125 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.802 16.130 -13.960 1.00 0.00 H new ATOM 0 HG LEU A 81 12.869 13.891 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.453 12.797 -11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.189 12.929 -11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.441 14.044 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.883 14.472 -12.351 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.828 15.798 -11.631 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.392 15.850 -13.356 1.00 0.00 H new ATOM 962 N GLY A 82 15.320 14.254 -15.838 1.00 0.00 N ATOM 963 CA GLY A 82 15.309 13.331 -16.985 1.00 0.00 C ATOM 964 C GLY A 82 16.631 12.572 -17.161 1.00 0.00 C ATOM 965 O GLY A 82 16.641 11.373 -17.449 1.00 0.00 O ATOM 0 H GLY A 82 15.232 15.236 -16.099 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.499 12.613 -16.858 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.096 13.894 -17.894 1.00 0.00 H new ATOM 969 N GLU A 83 17.757 13.254 -16.953 1.00 0.00 N ATOM 970 CA GLU A 83 19.107 12.669 -17.006 1.00 0.00 C ATOM 971 C GLU A 83 19.295 11.586 -15.937 1.00 0.00 C ATOM 972 O GLU A 83 19.722 10.470 -16.239 1.00 0.00 O ATOM 973 CB GLU A 83 20.153 13.764 -16.760 1.00 0.00 C ATOM 974 CG GLU A 83 20.174 14.856 -17.829 1.00 0.00 C ATOM 975 CD GLU A 83 21.178 14.539 -18.953 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.876 13.681 -19.818 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.279 15.142 -18.982 1.00 0.00 O ATOM 0 H GLU A 83 17.762 14.251 -16.738 1.00 0.00 H new ATOM 0 HA GLU A 83 19.231 12.222 -17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.962 14.223 -15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.140 13.304 -16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.176 14.968 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.433 15.810 -17.369 1.00 0.00 H new ATOM 984 N LEU A 84 18.941 11.913 -14.689 1.00 0.00 N ATOM 985 CA LEU A 84 19.066 11.001 -13.544 1.00 0.00 C ATOM 986 C LEU A 84 18.055 9.843 -13.574 1.00 0.00 C ATOM 987 O LEU A 84 18.410 8.728 -13.182 1.00 0.00 O ATOM 988 CB LEU A 84 18.972 11.797 -12.227 1.00 0.00 C ATOM 989 CG LEU A 84 20.309 12.327 -11.673 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.165 11.190 -11.106 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.161 13.091 -12.689 1.00 0.00 C ATOM 0 H LEU A 84 18.557 12.825 -14.442 1.00 0.00 H new ATOM 0 HA LEU A 84 20.048 10.532 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.302 12.643 -12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.512 11.161 -11.471 1.00 0.00 H new ATOM 0 HG LEU A 84 20.013 13.028 -10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.101 11.596 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.626 10.697 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.378 10.467 -11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.082 13.427 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.403 12.436 -13.526 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.605 13.955 -13.053 1.00 0.00 H new ATOM 1003 N LEU A 85 16.831 10.062 -14.075 1.00 0.00 N ATOM 1004 CA LEU A 85 15.861 8.975 -14.280 1.00 0.00 C ATOM 1005 C LEU A 85 16.225 8.094 -15.484 1.00 0.00 C ATOM 1006 O LEU A 85 15.889 6.911 -15.515 1.00 0.00 O ATOM 1007 CB LEU A 85 14.419 9.526 -14.273 1.00 0.00 C ATOM 1008 CG LEU A 85 13.748 9.898 -15.603 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.976 8.709 -16.177 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.710 11.000 -15.400 1.00 0.00 C ATOM 0 H LEU A 85 16.488 10.983 -14.346 1.00 0.00 H new ATOM 0 HA LEU A 85 15.911 8.287 -13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.788 8.784 -13.784 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.412 10.415 -13.643 1.00 0.00 H new ATOM 0 HG LEU A 85 14.548 10.217 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.510 8.998 -17.119 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.662 7.880 -16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.205 8.400 -15.471 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.249 11.246 -16.356 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.944 10.655 -14.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.196 11.887 -14.993 1.00 0.00 H new ATOM 1022 N GLY A 86 16.949 8.659 -16.457 1.00 0.00 N ATOM 1023 CA GLY A 86 17.490 7.943 -17.618 1.00 0.00 C ATOM 1024 C GLY A 86 16.560 7.965 -18.831 1.00 0.00 C ATOM 1025 O GLY A 86 16.937 7.499 -19.908 1.00 0.00 O ATOM 0 H GLY A 86 17.181 9.652 -16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.447 8.385 -17.895 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.686 6.908 -17.338 1.00 0.00 H new ATOM 1029 N ARG A 87 15.357 8.537 -18.676 1.00 0.00 N ATOM 1030 CA ARG A 87 14.425 8.849 -19.772 1.00 0.00 C ATOM 1031 C ARG A 87 14.090 10.332 -19.709 1.00 0.00 C ATOM 1032 O ARG A 87 13.607 10.820 -18.694 1.00 0.00 O ATOM 1033 CB ARG A 87 13.147 7.975 -19.711 1.00 0.00 C ATOM 1034 CG ARG A 87 13.071 6.949 -20.852 1.00 0.00 C ATOM 1035 CD ARG A 87 14.015 5.776 -20.584 1.00 0.00 C ATOM 1036 NE ARG A 87 14.309 5.017 -21.815 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.431 5.020 -22.518 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.476 5.732 -22.190 1.00 0.00 N ATOM 1039 NH2 ARG A 87 15.526 4.292 -23.593 1.00 0.00 N ATOM 0 H ARG A 87 14.995 8.803 -17.760 1.00 0.00 H new ATOM 0 HA ARG A 87 14.901 8.620 -20.725 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.116 7.452 -18.755 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.269 8.620 -19.750 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.049 6.584 -20.953 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.334 7.426 -21.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.945 6.149 -20.156 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.568 5.111 -19.845 1.00 0.00 H new ATOM 0 HE ARG A 87 13.560 4.420 -22.165 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.451 6.321 -21.358 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.317 5.699 -22.766 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.737 3.720 -23.893 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.390 4.294 -24.135 1.00 0.00 H new ATOM 1053 N GLN A 88 14.303 11.046 -20.809 1.00 0.00 N ATOM 1054 CA GLN A 88 13.918 12.456 -20.914 1.00 0.00 C ATOM 1055 C GLN A 88 12.428 12.619 -21.285 1.00 0.00 C ATOM 1056 O GLN A 88 11.932 13.742 -21.335 1.00 0.00 O ATOM 1057 CB GLN A 88 14.891 13.201 -21.842 1.00 0.00 C ATOM 1058 CG GLN A 88 16.324 13.323 -21.276 1.00 0.00 C ATOM 1059 CD GLN A 88 17.164 12.053 -21.442 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.583 11.700 -22.536 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.425 11.292 -20.395 1.00 0.00 N ATOM 0 H GLN A 88 14.744 10.671 -21.649 1.00 0.00 H new ATOM 0 HA GLN A 88 14.006 12.927 -19.935 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.932 12.684 -22.801 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.501 14.200 -22.035 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.831 14.150 -21.772 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.266 13.573 -20.217 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.088 11.563 -19.471 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.964 10.434 -20.510 1.00 0.00 H new ATOM 1070 N SER A 89 11.690 11.518 -21.478 1.00 0.00 N ATOM 1071 CA SER A 89 10.227 11.524 -21.623 1.00 0.00 C ATOM 1072 C SER A 89 9.581 10.224 -21.119 1.00 0.00 C ATOM 1073 O SER A 89 10.120 9.127 -21.287 1.00 0.00 O ATOM 1074 CB SER A 89 9.838 11.823 -23.078 1.00 0.00 C ATOM 1075 OG SER A 89 10.296 10.811 -23.966 1.00 0.00 O ATOM 0 H SER A 89 12.097 10.585 -21.539 1.00 0.00 H new ATOM 0 HA SER A 89 9.836 12.321 -20.990 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.754 11.910 -23.154 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.256 12.784 -23.376 1.00 0.00 H new ATOM 0 HG SER A 89 10.029 11.034 -24.882 1.00 0.00 H new ATOM 1081 N PHE A 90 8.429 10.363 -20.459 1.00 0.00 N ATOM 1082 CA PHE A 90 7.593 9.287 -19.904 1.00 0.00 C ATOM 1083 C PHE A 90 6.147 9.801 -19.747 1.00 0.00 C ATOM 1084 O PHE A 90 5.898 11.001 -19.868 1.00 0.00 O ATOM 1085 CB PHE A 90 8.174 8.786 -18.566 1.00 0.00 C ATOM 1086 CG PHE A 90 8.203 9.802 -17.439 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.322 10.641 -17.271 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.115 9.901 -16.551 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.343 11.587 -16.231 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.137 10.846 -15.511 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.248 11.693 -15.355 1.00 0.00 C ATOM 0 H PHE A 90 8.027 11.284 -20.285 1.00 0.00 H new ATOM 0 HA PHE A 90 7.584 8.436 -20.585 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.592 7.924 -18.239 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.191 8.436 -18.741 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.164 10.558 -17.942 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.262 9.249 -16.669 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.200 12.232 -16.105 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.301 10.921 -14.832 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.261 12.426 -14.562 1.00 0.00 H new ATOM 1101 N SER A 91 5.187 8.918 -19.470 1.00 0.00 N ATOM 1102 CA SER A 91 3.766 9.269 -19.294 1.00 0.00 C ATOM 1103 C SER A 91 3.273 8.945 -17.892 1.00 0.00 C ATOM 1104 O SER A 91 3.758 8.016 -17.250 1.00 0.00 O ATOM 1105 CB SER A 91 2.925 8.535 -20.346 1.00 0.00 C ATOM 1106 OG SER A 91 1.539 8.775 -20.155 1.00 0.00 O ATOM 0 H SER A 91 5.372 7.921 -19.359 1.00 0.00 H new ATOM 0 HA SER A 91 3.660 10.345 -19.429 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.219 8.862 -21.343 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.122 7.464 -20.291 1.00 0.00 H new ATOM 0 HG SER A 91 1.027 8.297 -20.840 1.00 0.00 H new ATOM 1112 N VAL A 92 2.244 9.658 -17.435 1.00 0.00 N ATOM 1113 CA VAL A 92 1.496 9.319 -16.214 1.00 0.00 C ATOM 1114 C VAL A 92 0.888 7.903 -16.320 1.00 0.00 C ATOM 1115 O VAL A 92 0.745 7.213 -15.309 1.00 0.00 O ATOM 1116 CB VAL A 92 0.417 10.395 -15.987 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.590 10.019 -14.904 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.071 11.715 -15.564 1.00 0.00 C ATOM 0 H VAL A 92 1.899 10.496 -17.903 1.00 0.00 H new ATOM 0 HA VAL A 92 2.166 9.305 -15.355 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.112 10.490 -16.936 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.322 10.819 -14.794 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.099 9.097 -15.185 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.069 9.872 -13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.300 12.469 -15.406 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.627 11.565 -14.639 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.752 12.051 -16.346 1.00 0.00 H new ATOM 1128 N LYS A 93 0.599 7.438 -17.548 1.00 0.00 N ATOM 1129 CA LYS A 93 0.127 6.073 -17.860 1.00 0.00 C ATOM 1130 C LYS A 93 1.262 5.059 -18.109 1.00 0.00 C ATOM 1131 O LYS A 93 0.993 3.865 -18.244 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.844 6.128 -19.056 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.095 6.979 -18.771 1.00 0.00 C ATOM 1134 CD LYS A 93 -3.060 7.111 -19.962 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.778 5.809 -20.362 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.031 5.013 -21.378 1.00 0.00 N ATOM 0 H LYS A 93 0.690 8.020 -18.381 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.392 5.705 -16.975 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.323 6.535 -19.923 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.151 5.115 -19.316 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.633 6.541 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.779 7.976 -18.463 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.811 7.863 -19.721 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.503 7.481 -20.823 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.931 5.198 -19.472 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.765 6.052 -20.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.701 4.602 -22.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.363 5.631 -21.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.507 4.250 -20.904 1.00 0.00 H new ATOM 1150 N ASP A 94 2.517 5.514 -18.164 1.00 0.00 N ATOM 1151 CA ASP A 94 3.724 4.688 -18.340 1.00 0.00 C ATOM 1152 C ASP A 94 4.950 5.269 -17.577 1.00 0.00 C ATOM 1153 O ASP A 94 5.932 5.687 -18.203 1.00 0.00 O ATOM 1154 CB ASP A 94 3.983 4.514 -19.850 1.00 0.00 C ATOM 1155 CG ASP A 94 5.126 3.529 -20.161 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.237 2.483 -19.478 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.887 3.771 -21.129 1.00 0.00 O ATOM 0 H ASP A 94 2.733 6.508 -18.084 1.00 0.00 H new ATOM 0 HA ASP A 94 3.561 3.705 -17.898 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.070 4.164 -20.331 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.220 5.485 -20.285 1.00 0.00 H new ATOM 1162 N PRO A 95 4.909 5.345 -16.227 1.00 0.00 N ATOM 1163 CA PRO A 95 5.932 6.000 -15.396 1.00 0.00 C ATOM 1164 C PRO A 95 7.121 5.086 -15.030 1.00 0.00 C ATOM 1165 O PRO A 95 7.932 5.432 -14.169 1.00 0.00 O ATOM 1166 CB PRO A 95 5.159 6.467 -14.157 1.00 0.00 C ATOM 1167 CG PRO A 95 4.163 5.326 -13.955 1.00 0.00 C ATOM 1168 CD PRO A 95 3.779 4.959 -15.386 1.00 0.00 C ATOM 0 HA PRO A 95 6.411 6.819 -15.933 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.812 6.596 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.658 7.421 -14.324 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.613 4.485 -13.428 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.298 5.642 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.577 3.891 -15.472 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.872 5.481 -15.691 1.00 0.00 H new ATOM 1176 N SER A 96 7.235 3.909 -15.651 1.00 0.00 N ATOM 1177 CA SER A 96 8.167 2.832 -15.280 1.00 0.00 C ATOM 1178 C SER A 96 9.630 3.246 -15.031 1.00 0.00 C ATOM 1179 O SER A 96 10.161 2.850 -13.989 1.00 0.00 O ATOM 1180 CB SER A 96 8.112 1.710 -16.325 1.00 0.00 C ATOM 1181 OG SER A 96 6.784 1.210 -16.425 1.00 0.00 O ATOM 0 H SER A 96 6.660 3.667 -16.458 1.00 0.00 H new ATOM 0 HA SER A 96 7.813 2.492 -14.307 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.443 2.086 -17.293 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.793 0.906 -16.045 1.00 0.00 H new ATOM 0 HG SER A 96 6.753 0.495 -17.095 1.00 0.00 H new ATOM 1187 N PRO A 97 10.310 4.055 -15.880 1.00 0.00 N ATOM 1188 CA PRO A 97 11.714 4.403 -15.626 1.00 0.00 C ATOM 1189 C PRO A 97 11.897 5.348 -14.424 1.00 0.00 C ATOM 1190 O PRO A 97 12.960 5.357 -13.802 1.00 0.00 O ATOM 1191 CB PRO A 97 12.221 5.023 -16.926 1.00 0.00 C ATOM 1192 CG PRO A 97 10.965 5.635 -17.544 1.00 0.00 C ATOM 1193 CD PRO A 97 9.873 4.640 -17.149 1.00 0.00 C ATOM 0 HA PRO A 97 12.286 3.517 -15.350 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.985 5.778 -16.739 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.666 4.274 -17.581 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.765 6.632 -17.151 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.052 5.731 -18.626 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.910 5.139 -17.039 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.749 3.872 -17.912 1.00 0.00 H new ATOM 1201 N LEU A 98 10.860 6.108 -14.047 1.00 0.00 N ATOM 1202 CA LEU A 98 10.889 6.956 -12.855 1.00 0.00 C ATOM 1203 C LEU A 98 10.797 6.113 -11.573 1.00 0.00 C ATOM 1204 O LEU A 98 11.602 6.304 -10.664 1.00 0.00 O ATOM 1205 CB LEU A 98 9.807 8.040 -12.984 1.00 0.00 C ATOM 1206 CG LEU A 98 9.761 8.999 -11.777 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.576 10.433 -12.261 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.605 8.642 -10.841 1.00 0.00 C ATOM 0 H LEU A 98 9.980 6.150 -14.561 1.00 0.00 H new ATOM 0 HA LEU A 98 11.846 7.472 -12.776 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.986 8.617 -13.891 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.834 7.562 -13.097 1.00 0.00 H new ATOM 0 HG LEU A 98 10.702 8.904 -11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.544 11.105 -11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.409 10.709 -12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.642 10.511 -12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.593 9.332 -9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.662 8.715 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.735 7.624 -10.475 1.00 0.00 H new ATOM 1220 N TYR A 99 9.902 5.121 -11.520 1.00 0.00 N ATOM 1221 CA TYR A 99 9.876 4.159 -10.407 1.00 0.00 C ATOM 1222 C TYR A 99 11.170 3.341 -10.317 1.00 0.00 C ATOM 1223 O TYR A 99 11.674 3.112 -9.218 1.00 0.00 O ATOM 1224 CB TYR A 99 8.670 3.223 -10.533 1.00 0.00 C ATOM 1225 CG TYR A 99 7.379 3.853 -10.048 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.059 3.814 -8.676 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.514 4.497 -10.954 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.867 4.402 -8.210 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.322 5.089 -10.490 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.992 5.035 -9.118 1.00 0.00 C ATOM 1231 OH TYR A 99 3.825 5.577 -8.670 1.00 0.00 O ATOM 0 H TYR A 99 9.188 4.961 -12.230 1.00 0.00 H new ATOM 0 HA TYR A 99 9.789 4.737 -9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.554 2.927 -11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.861 2.314 -9.963 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.730 3.332 -7.980 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.764 4.537 -12.004 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.623 4.368 -7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.660 5.585 -11.185 1.00 0.00 H new ATOM 0 HH TYR A 99 3.339 5.975 -9.422 1.00 0.00 H new ATOM 1241 N ASP A 100 11.744 2.953 -11.456 1.00 0.00 N ATOM 1242 CA ASP A 100 13.012 2.221 -11.511 1.00 0.00 C ATOM 1243 C ASP A 100 14.180 3.025 -10.938 1.00 0.00 C ATOM 1244 O ASP A 100 14.951 2.493 -10.136 1.00 0.00 O ATOM 1245 CB ASP A 100 13.292 1.834 -12.967 1.00 0.00 C ATOM 1246 CG ASP A 100 14.508 0.908 -13.103 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.464 -0.238 -12.597 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.519 1.323 -13.719 1.00 0.00 O ATOM 0 H ASP A 100 11.340 3.139 -12.374 1.00 0.00 H new ATOM 0 HA ASP A 100 12.919 1.330 -10.891 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.414 1.340 -13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.459 2.737 -13.554 1.00 0.00 H new ATOM 1253 N MET A 101 14.277 4.320 -11.268 1.00 0.00 N ATOM 1254 CA MET A 101 15.254 5.182 -10.590 1.00 0.00 C ATOM 1255 C MET A 101 14.945 5.345 -9.097 1.00 0.00 C ATOM 1256 O MET A 101 15.865 5.251 -8.292 1.00 0.00 O ATOM 1257 CB MET A 101 15.488 6.528 -11.301 1.00 0.00 C ATOM 1258 CG MET A 101 14.424 7.610 -11.092 1.00 0.00 C ATOM 1259 SD MET A 101 15.093 9.273 -10.841 1.00 0.00 S ATOM 1260 CE MET A 101 13.555 10.073 -10.337 1.00 0.00 C ATOM 0 H MET A 101 13.710 4.783 -11.978 1.00 0.00 H new ATOM 0 HA MET A 101 16.207 4.657 -10.657 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.447 6.926 -10.970 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.574 6.337 -12.371 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.762 7.624 -11.958 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.815 7.342 -10.229 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.744 11.126 -10.130 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.821 9.987 -11.138 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.171 9.590 -9.439 1.00 0.00 H new ATOM 1270 N LEU A 102 13.686 5.524 -8.677 1.00 0.00 N ATOM 1271 CA LEU A 102 13.346 5.743 -7.266 1.00 0.00 C ATOM 1272 C LEU A 102 13.727 4.527 -6.417 1.00 0.00 C ATOM 1273 O LEU A 102 14.428 4.700 -5.423 1.00 0.00 O ATOM 1274 CB LEU A 102 11.860 6.129 -7.116 1.00 0.00 C ATOM 1275 CG LEU A 102 11.503 7.561 -7.569 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.000 7.782 -7.410 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.225 8.639 -6.755 1.00 0.00 C ATOM 0 H LEU A 102 12.879 5.521 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 102 13.931 6.583 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.258 5.423 -7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.575 6.015 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 102 11.818 7.650 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.745 8.793 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.459 7.061 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.722 7.651 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.935 9.625 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.952 8.545 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.303 8.515 -6.862 1.00 0.00 H new ATOM 1289 N ARG A 103 13.426 3.307 -6.880 1.00 0.00 N ATOM 1290 CA ARG A 103 13.858 2.033 -6.263 1.00 0.00 C ATOM 1291 C ARG A 103 15.385 1.878 -6.147 1.00 0.00 C ATOM 1292 O ARG A 103 15.849 1.120 -5.295 1.00 0.00 O ATOM 1293 CB ARG A 103 13.266 0.865 -7.074 1.00 0.00 C ATOM 1294 CG ARG A 103 11.757 0.690 -6.837 1.00 0.00 C ATOM 1295 CD ARG A 103 11.172 -0.337 -7.815 1.00 0.00 C ATOM 1296 NE ARG A 103 9.744 -0.596 -7.531 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.216 -1.646 -6.920 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.940 -2.625 -6.452 1.00 0.00 N ATOM 1299 NH2 ARG A 103 7.926 -1.732 -6.765 1.00 0.00 N ATOM 0 H ARG A 103 12.860 3.168 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 103 13.485 2.031 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.447 1.035 -8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.782 -0.057 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.580 0.366 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.251 1.647 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.282 0.027 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.734 -1.269 -7.746 1.00 0.00 H new ATOM 0 HE ARG A 103 9.087 0.119 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.955 -2.601 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.491 -3.415 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.320 -0.990 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.522 -2.542 -6.294 1.00 0.00 H new ATOM 1313 N LYS A 104 16.161 2.605 -6.966 1.00 0.00 N ATOM 1314 CA LYS A 104 17.642 2.660 -6.924 1.00 0.00 C ATOM 1315 C LYS A 104 18.217 3.923 -6.261 1.00 0.00 C ATOM 1316 O LYS A 104 19.436 4.040 -6.121 1.00 0.00 O ATOM 1317 CB LYS A 104 18.196 2.411 -8.341 1.00 0.00 C ATOM 1318 CG LYS A 104 18.025 0.930 -8.722 1.00 0.00 C ATOM 1319 CD LYS A 104 18.543 0.594 -10.127 1.00 0.00 C ATOM 1320 CE LYS A 104 17.591 1.141 -11.196 1.00 0.00 C ATOM 1321 NZ LYS A 104 17.965 0.699 -12.564 1.00 0.00 N ATOM 0 H LYS A 104 15.768 3.192 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 104 17.982 1.863 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.674 3.042 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.250 2.686 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.550 0.313 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.969 0.667 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.537 1.019 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.640 -0.486 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.575 0.814 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.591 2.230 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.131 0.745 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.709 1.321 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.317 -0.279 -12.529 1.00 0.00 H new ATOM 1335 N ASN A 105 17.370 4.866 -5.838 1.00 0.00 N ATOM 1336 CA ASN A 105 17.769 6.100 -5.142 1.00 0.00 C ATOM 1337 C ASN A 105 17.316 6.055 -3.675 1.00 0.00 C ATOM 1338 O ASN A 105 18.123 5.986 -2.751 1.00 0.00 O ATOM 1339 CB ASN A 105 17.182 7.307 -5.910 1.00 0.00 C ATOM 1340 CG ASN A 105 18.053 7.742 -7.077 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.812 8.692 -7.013 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.968 7.033 -8.169 1.00 0.00 N ATOM 0 H ASN A 105 16.361 4.794 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 105 18.854 6.200 -5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.190 7.049 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.059 8.144 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.540 7.273 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.329 6.239 -8.213 1.00 0.00 H new ATOM 1349 N LEU A 106 16.001 6.059 -3.485 1.00 0.00 N ATOM 1350 CA LEU A 106 15.346 5.825 -2.192 1.00 0.00 C ATOM 1351 C LEU A 106 15.615 4.392 -1.687 1.00 0.00 C ATOM 1352 O LEU A 106 15.790 3.464 -2.479 1.00 0.00 O ATOM 1353 CB LEU A 106 13.819 6.056 -2.287 1.00 0.00 C ATOM 1354 CG LEU A 106 13.302 7.316 -3.001 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.785 7.391 -2.854 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.903 8.605 -2.446 1.00 0.00 C ATOM 0 H LEU A 106 15.339 6.229 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 106 15.768 6.539 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.385 5.191 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.423 6.067 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 106 13.601 7.232 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.414 8.283 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.332 6.506 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.524 7.437 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.499 9.459 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.653 8.698 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.987 8.580 -2.562 1.00 0.00 H new ATOM 1368 N VAL A 107 15.554 4.191 -0.368 1.00 0.00 N ATOM 1369 CA VAL A 107 15.648 2.860 0.283 1.00 0.00 C ATOM 1370 C VAL A 107 14.359 2.027 0.168 1.00 0.00 C ATOM 1371 O VAL A 107 13.762 1.621 1.165 1.00 0.00 O ATOM 1372 CB VAL A 107 16.162 2.936 1.736 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.626 3.391 1.759 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.349 3.866 2.650 1.00 0.00 C ATOM 0 H VAL A 107 15.436 4.954 0.298 1.00 0.00 H new ATOM 0 HA VAL A 107 16.404 2.321 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 107 16.052 1.925 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.976 3.440 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.237 2.680 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.708 4.377 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.779 3.859 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.373 4.880 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.317 3.519 2.696 1.00 0.00 H new ATOM 1384 N THR A 108 13.922 1.759 -1.067 1.00 0.00 N ATOM 1385 CA THR A 108 12.758 0.902 -1.370 1.00 0.00 C ATOM 1386 C THR A 108 11.472 1.427 -0.709 1.00 0.00 C ATOM 1387 O THR A 108 10.850 0.783 0.139 1.00 0.00 O ATOM 1388 CB THR A 108 13.079 -0.572 -1.040 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.288 -0.949 -1.678 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.012 -1.547 -1.560 1.00 0.00 C ATOM 0 H THR A 108 14.371 2.135 -1.902 1.00 0.00 H new ATOM 0 HA THR A 108 12.556 0.944 -2.440 1.00 0.00 H new ATOM 0 HB THR A 108 13.133 -0.631 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.492 -1.884 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.293 -2.567 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.049 -1.308 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.936 -1.459 -2.644 1.00 0.00 H new ATOM 1398 N LEU A 109 11.087 2.652 -1.085 1.00 0.00 N ATOM 1399 CA LEU A 109 9.865 3.311 -0.606 1.00 0.00 C ATOM 1400 C LEU A 109 8.671 2.908 -1.487 1.00 0.00 C ATOM 1401 O LEU A 109 8.736 3.002 -2.714 1.00 0.00 O ATOM 1402 CB LEU A 109 10.072 4.840 -0.574 1.00 0.00 C ATOM 1403 CG LEU A 109 10.797 5.433 0.648 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.883 5.442 1.875 1.00 0.00 C ATOM 1405 CD2 LEU A 109 12.064 4.678 1.052 1.00 0.00 C ATOM 0 H LEU A 109 11.623 3.222 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 109 9.645 2.987 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.630 5.123 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.093 5.314 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 109 11.073 6.439 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.419 5.866 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.999 6.045 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.579 4.422 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.514 5.160 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.810 3.647 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.773 4.688 0.224 1.00 0.00 H new ATOM 1417 N ALA A 110 7.584 2.465 -0.852 1.00 0.00 N ATOM 1418 CA ALA A 110 6.393 1.921 -1.510 1.00 0.00 C ATOM 1419 C ALA A 110 5.111 2.169 -0.690 1.00 0.00 C ATOM 1420 O ALA A 110 5.166 2.425 0.517 1.00 0.00 O ATOM 1421 CB ALA A 110 6.637 0.422 -1.752 1.00 0.00 C ATOM 0 H ALA A 110 7.505 2.475 0.165 1.00 0.00 H new ATOM 0 HA ALA A 110 6.232 2.431 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.766 -0.014 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.513 0.294 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.805 -0.078 -0.798 1.00 0.00 H new ATOM 1427 N THR A 111 3.951 2.106 -1.353 1.00 0.00 N ATOM 1428 CA THR A 111 2.626 2.367 -0.753 1.00 0.00 C ATOM 1429 C THR A 111 1.490 1.602 -1.443 1.00 0.00 C ATOM 1430 O THR A 111 1.633 1.115 -2.575 1.00 0.00 O ATOM 1431 CB THR A 111 2.328 3.876 -0.736 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.115 4.100 -0.046 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.215 4.521 -2.122 1.00 0.00 C ATOM 0 H THR A 111 3.900 1.867 -2.343 1.00 0.00 H new ATOM 0 HA THR A 111 2.672 1.997 0.271 1.00 0.00 H new ATOM 0 HB THR A 111 3.182 4.341 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.920 5.060 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.004 5.585 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.153 4.391 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.407 4.047 -2.679 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.873 12.610 -11.125 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.333 13.122 -10.540 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.480 11.134 -9.516 1.00 0.00 C HETATM 1445 CG3 48L A 200 -1.002 13.981 -13.124 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.462 12.419 -11.743 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.477 13.381 -9.785 1.00 0.00 C HETATM 1448 CD3 48L A 200 0.565 10.116 -10.472 1.00 0.00 C HETATM 1449 CD4 48L A 200 0.969 10.894 -8.227 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.092 13.255 -13.626 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.395 14.927 -13.972 1.00 0.00 C HETATM 1452 CE1 48L A 200 3.714 12.005 -12.194 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.727 12.965 -10.231 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.524 9.661 -7.892 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.141 8.892 -10.140 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.615 13.524 -14.888 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.948 15.217 -15.217 1.00 0.00 C HETATM 1458 CZ1 48L A 200 4.846 12.288 -11.438 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.612 8.654 -8.851 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.064 14.527 -15.669 1.00 0.00 C HETATM 1461 CL 48L A 200 6.406 11.805 -11.988 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.002 16.142 -17.245 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.213 15.506 -13.290 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.281 15.164 -15.613 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.399 19.134 -11.512 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.594 18.746 -11.043 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.278 20.285 -11.888 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.896 17.385 -10.590 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.556 16.697 -11.194 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.990 16.333 -11.255 1.00 0.00 C HETATM 1471 N3 48L A 200 0.328 14.524 -10.991 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.616 14.791 -16.901 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.259 18.119 -11.539 1.00 0.00 C HETATM 1474 C5 48L A 200 0.457 15.861 -10.828 1.00 0.00 C HETATM 1475 O5 48L A 200 1.458 16.323 -10.311 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.579 13.710 -11.714 1.00 0.00 C HETATM 1477 O6 48L A 200 0.810 15.530 -13.673 1.00 0.00 O HETATM 1478 C7 48L A 200 -0.096 12.509 -9.857 1.00 0.00 C HETATM 1479 C8 48L A 200 0.974 13.620 -10.037 1.00 0.00 C HETATM 1480 C9 48L A 200 2.052 14.918 -14.110 1.00 0.00 C HETATM 1481 BR 48L A 200 1.305 7.545 -11.467 1.00 0.00 BR HETATM 1482 F 48L A 200 0.918 11.856 -7.286 1.00 0.00 F