USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 LYS NZ :NH3+ -164:sc= 0.655 (180deg=0) USER MOD Set 1.2: A 73 TYR OH : rot -102:sc= 0.998 USER MOD Set 1.3: A 74 GLN : amide:sc= -3.99 K(o=-2.3,f=-1.2) USER MOD Set 2.1: A 62 HIS : no HD1:sc= 0.929 K(o=1.8,f=-5.1!) USER MOD Set 2.2: A 67 TYR OH : rot -128:sc= 0.887 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= -0.907 USER MOD Set 3.2: A 52 GLN : amide:sc= -1.16 K(o=-2.1,f=0.12) USER MOD Single : A 2 THR OG1 : rot -33:sc= 0.223 USER MOD Single : A 6 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.96) USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= -0.375 (180deg=-1.44) USER MOD Single : A 9 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0094) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 12 THR OG1 : rot -14:sc= -0.837 USER MOD Single : A 13 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.034) USER MOD Single : A 16 ASN : amide:sc= -0.0472 K(o=-0.047,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0173) USER MOD Single : A 25 CYS SG : rot 15:sc= 0.761 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.279 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 53 THR OG1 : rot 80:sc= -0.279 USER MOD Single : A 54 ASN : amide:sc= -0.717 K(o=-0.72,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.351! USER MOD Single : A 60 THR OG1 : rot 108:sc= -2.05! USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0242 (180deg=-0.34) USER MOD Single : A 64 SER OG : rot -140:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 86 ASN : amide:sc= 0.922 K(o=0.92,f=-0.23) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl 153:sc= -0.0147 (180deg=-0.345) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-9.2!) USER MOD Single : A 96 ASN : amide:sc= -1.98 K(o=-2,f=-3.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -2.44! C(o=-2.4!,f=-8.5!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.796 -5.280 19.650 1.00 0.00 N ATOM 21 CA THR A 2 -11.725 -6.176 18.891 1.00 0.00 C ATOM 22 C THR A 2 -12.050 -5.565 17.526 1.00 0.00 C ATOM 23 O THR A 2 -13.137 -5.709 17.002 1.00 0.00 O ATOM 24 CB THR A 2 -13.009 -6.369 19.692 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.533 -5.101 20.060 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.704 -7.188 20.945 1.00 0.00 C ATOM 0 HA THR A 2 -11.244 -7.142 18.736 1.00 0.00 H new ATOM 0 HB THR A 2 -13.745 -6.897 19.086 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.796 -4.473 20.209 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.619 -7.328 21.520 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.305 -8.160 20.656 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.970 -6.661 21.554 1.00 0.00 H new ATOM 34 N LEU A 3 -11.100 -4.885 16.958 1.00 0.00 N ATOM 35 CA LEU A 3 -11.306 -4.248 15.624 1.00 0.00 C ATOM 36 C LEU A 3 -11.566 -5.327 14.569 1.00 0.00 C ATOM 37 O LEU A 3 -12.387 -5.161 13.691 1.00 0.00 O ATOM 38 CB LEU A 3 -10.044 -3.451 15.249 1.00 0.00 C ATOM 39 CG LEU A 3 -10.060 -2.069 15.940 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.632 -1.528 16.064 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.889 -1.073 15.115 1.00 0.00 C ATOM 0 H LEU A 3 -10.175 -4.739 17.363 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.166 -3.579 15.666 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.154 -4.004 15.547 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.993 -3.324 14.168 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.501 -2.186 16.930 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.653 -0.554 16.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.032 -2.218 16.657 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.194 -1.427 15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.893 -0.103 15.612 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.451 -0.970 14.122 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.912 -1.438 15.025 1.00 0.00 H new ATOM 53 N GLU A 4 -10.862 -6.421 14.634 1.00 0.00 N ATOM 54 CA GLU A 4 -11.065 -7.495 13.620 1.00 0.00 C ATOM 55 C GLU A 4 -12.516 -7.984 13.664 1.00 0.00 C ATOM 56 O GLU A 4 -13.209 -7.995 12.664 1.00 0.00 O ATOM 57 CB GLU A 4 -10.126 -8.662 13.933 1.00 0.00 C ATOM 58 CG GLU A 4 -10.252 -9.733 12.849 1.00 0.00 C ATOM 59 CD GLU A 4 -9.272 -10.867 13.149 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.748 -10.894 14.250 1.00 0.00 O ATOM 61 OE2 GLU A 4 -9.060 -11.689 12.272 1.00 0.00 O ATOM 0 H GLU A 4 -10.156 -6.619 15.343 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.850 -7.102 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.097 -8.308 13.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.371 -9.086 14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.272 -10.116 12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.041 -9.303 11.870 1.00 0.00 H new ATOM 68 N LEU A 5 -12.982 -8.386 14.812 1.00 0.00 N ATOM 69 CA LEU A 5 -14.388 -8.872 14.918 1.00 0.00 C ATOM 70 C LEU A 5 -15.350 -7.725 14.605 1.00 0.00 C ATOM 71 O LEU A 5 -16.343 -7.899 13.925 1.00 0.00 O ATOM 72 CB LEU A 5 -14.644 -9.376 16.339 1.00 0.00 C ATOM 73 CG LEU A 5 -13.819 -10.643 16.601 1.00 0.00 C ATOM 74 CD1 LEU A 5 -13.874 -10.972 18.095 1.00 0.00 C ATOM 75 CD2 LEU A 5 -14.372 -11.832 15.788 1.00 0.00 C ATOM 0 H LEU A 5 -12.451 -8.400 15.683 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.547 -9.683 14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.379 -8.604 17.061 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.705 -9.588 16.473 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.788 -10.466 16.293 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.290 -11.871 18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.462 -10.140 18.666 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.909 -11.139 18.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.773 -12.720 15.989 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.406 -12.020 16.076 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.328 -11.597 14.724 1.00 0.00 H new ATOM 87 N GLN A 6 -15.064 -6.554 15.102 1.00 0.00 N ATOM 88 CA GLN A 6 -15.958 -5.392 14.846 1.00 0.00 C ATOM 89 C GLN A 6 -15.945 -5.058 13.351 1.00 0.00 C ATOM 90 O GLN A 6 -16.938 -4.635 12.790 1.00 0.00 O ATOM 91 CB GLN A 6 -15.456 -4.186 15.648 1.00 0.00 C ATOM 92 CG GLN A 6 -16.466 -3.039 15.547 1.00 0.00 C ATOM 93 CD GLN A 6 -17.754 -3.427 16.277 1.00 0.00 C ATOM 94 OE1 GLN A 6 -17.710 -4.023 17.334 1.00 0.00 O ATOM 95 NE2 GLN A 6 -18.906 -3.114 15.752 1.00 0.00 N ATOM 0 H GLN A 6 -14.246 -6.352 15.677 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.976 -5.635 15.151 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.313 -4.466 16.692 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.486 -3.863 15.269 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.047 -2.132 15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.680 -2.820 14.501 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.943 -2.613 14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.770 -3.370 16.229 1.00 0.00 H new ATOM 104 N LEU A 7 -14.828 -5.239 12.704 1.00 0.00 N ATOM 105 CA LEU A 7 -14.745 -4.930 11.248 1.00 0.00 C ATOM 106 C LEU A 7 -15.715 -5.824 10.475 1.00 0.00 C ATOM 107 O LEU A 7 -16.434 -5.371 9.605 1.00 0.00 O ATOM 108 CB LEU A 7 -13.318 -5.203 10.762 1.00 0.00 C ATOM 109 CG LEU A 7 -13.201 -4.938 9.252 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.595 -3.486 8.936 1.00 0.00 C ATOM 111 CD2 LEU A 7 -11.751 -5.200 8.810 1.00 0.00 C ATOM 0 H LEU A 7 -13.966 -5.589 13.122 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.005 -3.885 11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.616 -4.569 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.046 -6.236 10.978 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.875 -5.603 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.508 -3.311 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.624 -3.312 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.932 -2.805 9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.658 -5.015 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.079 -4.535 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.487 -6.236 9.023 1.00 0.00 H new ATOM 123 N LYS A 8 -15.742 -7.088 10.783 1.00 0.00 N ATOM 124 CA LYS A 8 -16.665 -8.005 10.063 1.00 0.00 C ATOM 125 C LYS A 8 -18.102 -7.557 10.315 1.00 0.00 C ATOM 126 O LYS A 8 -18.935 -7.565 9.431 1.00 0.00 O ATOM 127 CB LYS A 8 -16.473 -9.430 10.583 1.00 0.00 C ATOM 128 CG LYS A 8 -15.093 -9.938 10.169 1.00 0.00 C ATOM 129 CD LYS A 8 -14.887 -11.354 10.714 1.00 0.00 C ATOM 130 CE LYS A 8 -13.547 -11.902 10.222 1.00 0.00 C ATOM 131 NZ LYS A 8 -12.442 -11.037 10.723 1.00 0.00 N ATOM 0 H LYS A 8 -15.166 -7.526 11.502 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.454 -7.981 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.569 -9.449 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.249 -10.083 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.004 -9.938 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.319 -9.273 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.909 -11.342 11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.699 -12.003 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.410 -12.925 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.533 -11.934 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.673 -11.634 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.082 -10.448 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.798 -10.424 11.484 1.00 0.00 H new ATOM 145 N HIS A 9 -18.394 -7.165 11.521 1.00 0.00 N ATOM 146 CA HIS A 9 -19.773 -6.713 11.851 1.00 0.00 C ATOM 147 C HIS A 9 -20.087 -5.407 11.113 1.00 0.00 C ATOM 148 O HIS A 9 -21.205 -5.173 10.697 1.00 0.00 O ATOM 149 CB HIS A 9 -19.878 -6.487 13.358 1.00 0.00 C ATOM 150 CG HIS A 9 -19.769 -7.811 14.061 1.00 0.00 C ATOM 151 ND1 HIS A 9 -19.831 -7.923 15.441 1.00 0.00 N ATOM 152 CD2 HIS A 9 -19.591 -9.087 13.588 1.00 0.00 C ATOM 153 CE1 HIS A 9 -19.691 -9.226 15.747 1.00 0.00 C ATOM 154 NE2 HIS A 9 -19.542 -9.979 14.654 1.00 0.00 N ATOM 0 H HIS A 9 -17.733 -7.138 12.298 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.488 -7.475 11.541 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.087 -5.816 13.694 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.827 -6.009 13.602 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.502 -9.357 12.546 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.698 -9.616 16.754 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -19.419 -10.991 14.610 1.00 0.00 H new ATOM 162 N TYR A 10 -19.117 -4.548 10.962 1.00 0.00 N ATOM 163 CA TYR A 10 -19.368 -3.250 10.269 1.00 0.00 C ATOM 164 C TYR A 10 -19.852 -3.505 8.838 1.00 0.00 C ATOM 165 O TYR A 10 -20.817 -2.921 8.386 1.00 0.00 O ATOM 166 CB TYR A 10 -18.072 -2.435 10.222 1.00 0.00 C ATOM 167 CG TYR A 10 -18.309 -1.158 9.451 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.047 -0.122 10.035 1.00 0.00 C ATOM 169 CD2 TYR A 10 -17.799 -1.007 8.155 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.275 1.063 9.327 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.027 0.178 7.445 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.765 1.213 8.031 1.00 0.00 C ATOM 173 OH TYR A 10 -18.989 2.380 7.333 1.00 0.00 O ATOM 0 H TYR A 10 -18.161 -4.688 11.288 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.132 -2.699 10.817 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -17.737 -2.205 11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.281 -3.017 9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.441 -0.238 11.034 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.229 -1.806 7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.844 1.862 9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.634 0.293 6.446 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.566 2.320 6.451 1.00 0.00 H new ATOM 183 N ILE A 11 -19.186 -4.365 8.120 1.00 0.00 N ATOM 184 CA ILE A 11 -19.599 -4.649 6.713 1.00 0.00 C ATOM 185 C ILE A 11 -21.000 -5.274 6.714 1.00 0.00 C ATOM 186 O ILE A 11 -21.854 -4.909 5.929 1.00 0.00 O ATOM 187 CB ILE A 11 -18.585 -5.629 6.076 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.299 -4.878 5.664 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.203 -6.296 4.833 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.380 -4.703 6.879 1.00 0.00 C ATOM 0 H ILE A 11 -18.372 -4.886 8.445 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.619 -3.725 6.136 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.335 -6.393 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.780 -5.432 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.555 -3.903 5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.481 -6.984 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.098 -6.846 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.467 -5.531 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.476 -4.173 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.898 -4.130 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.111 -5.682 7.276 1.00 0.00 H new ATOM 202 N THR A 12 -21.238 -6.216 7.580 1.00 0.00 N ATOM 203 CA THR A 12 -22.577 -6.869 7.623 1.00 0.00 C ATOM 204 C THR A 12 -23.653 -5.818 7.886 1.00 0.00 C ATOM 205 O THR A 12 -24.667 -5.769 7.219 1.00 0.00 O ATOM 206 CB THR A 12 -22.592 -7.903 8.749 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.179 -7.288 9.960 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.637 -9.044 8.397 1.00 0.00 C ATOM 0 H THR A 12 -20.564 -6.564 8.262 1.00 0.00 H new ATOM 0 HA THR A 12 -22.776 -7.357 6.669 1.00 0.00 H new ATOM 0 HB THR A 12 -23.600 -8.299 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.772 -6.418 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.644 -9.784 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.957 -9.512 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.628 -8.650 8.276 1.00 0.00 H new ATOM 216 N ASN A 13 -23.439 -4.977 8.852 1.00 0.00 N ATOM 217 CA ASN A 13 -24.441 -3.924 9.166 1.00 0.00 C ATOM 218 C ASN A 13 -24.550 -2.939 7.998 1.00 0.00 C ATOM 219 O ASN A 13 -25.617 -2.446 7.685 1.00 0.00 O ATOM 220 CB ASN A 13 -24.004 -3.172 10.423 1.00 0.00 C ATOM 221 CG ASN A 13 -24.150 -4.084 11.643 1.00 0.00 C ATOM 222 OD1 ASN A 13 -23.341 -4.039 12.550 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.157 -4.911 11.712 1.00 0.00 N ATOM 0 H ASN A 13 -22.608 -4.972 9.443 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.412 -4.391 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -22.969 -2.845 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.610 -2.275 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -25.264 -5.517 12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -25.837 -4.951 10.953 1.00 0.00 H new ATOM 230 N LEU A 14 -23.449 -2.624 7.371 1.00 0.00 N ATOM 231 CA LEU A 14 -23.480 -1.643 6.247 1.00 0.00 C ATOM 232 C LEU A 14 -24.379 -2.171 5.122 1.00 0.00 C ATOM 233 O LEU A 14 -25.226 -1.466 4.603 1.00 0.00 O ATOM 234 CB LEU A 14 -22.043 -1.462 5.716 1.00 0.00 C ATOM 235 CG LEU A 14 -21.859 -0.056 5.120 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.951 0.217 4.077 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.926 1.009 6.241 1.00 0.00 C ATOM 0 H LEU A 14 -22.528 -3.004 7.589 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.875 -0.689 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.329 -1.616 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.833 -2.215 4.957 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.883 -0.002 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.814 1.214 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.885 -0.523 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.931 0.153 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.795 2.001 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.895 0.955 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.135 0.822 6.968 1.00 0.00 H new ATOM 249 N PHE A 15 -24.199 -3.409 4.746 1.00 0.00 N ATOM 250 CA PHE A 15 -25.028 -4.007 3.656 1.00 0.00 C ATOM 251 C PHE A 15 -26.103 -4.899 4.278 1.00 0.00 C ATOM 252 O PHE A 15 -26.829 -5.589 3.589 1.00 0.00 O ATOM 253 CB PHE A 15 -24.123 -4.835 2.740 1.00 0.00 C ATOM 254 CG PHE A 15 -23.233 -3.907 1.952 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.708 -3.311 0.778 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.934 -3.636 2.399 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.885 -2.446 0.050 1.00 0.00 C ATOM 258 CE2 PHE A 15 -21.111 -2.769 1.672 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.587 -2.173 0.497 1.00 0.00 C ATOM 0 H PHE A 15 -23.506 -4.039 5.151 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.508 -3.222 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.519 -5.523 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.726 -5.441 2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.710 -3.519 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.567 -4.096 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.251 -1.989 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.109 -2.559 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.952 -1.503 -0.064 1.00 0.00 H new ATOM 269 N ASN A 16 -26.204 -4.883 5.582 1.00 0.00 N ATOM 270 CA ASN A 16 -27.227 -5.717 6.277 1.00 0.00 C ATOM 271 C ASN A 16 -27.079 -7.179 5.852 1.00 0.00 C ATOM 272 O ASN A 16 -28.050 -7.900 5.721 1.00 0.00 O ATOM 273 CB ASN A 16 -28.631 -5.215 5.929 1.00 0.00 C ATOM 274 CG ASN A 16 -28.875 -3.867 6.610 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.210 -3.528 7.569 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.804 -3.074 6.149 1.00 0.00 N ATOM 0 H ASN A 16 -25.616 -4.323 6.199 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.078 -5.641 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.735 -5.113 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.378 -5.939 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.971 -2.171 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.363 -3.357 5.344 1.00 0.00 H new ATOM 283 N LEU A 17 -25.872 -7.624 5.633 1.00 0.00 N ATOM 284 CA LEU A 17 -25.656 -9.040 5.214 1.00 0.00 C ATOM 285 C LEU A 17 -25.531 -9.921 6.464 1.00 0.00 C ATOM 286 O LEU A 17 -25.062 -9.474 7.490 1.00 0.00 O ATOM 287 CB LEU A 17 -24.370 -9.124 4.388 1.00 0.00 C ATOM 288 CG LEU A 17 -24.512 -8.264 3.126 1.00 0.00 C ATOM 289 CD1 LEU A 17 -23.129 -8.031 2.510 1.00 0.00 C ATOM 290 CD2 LEU A 17 -25.418 -8.964 2.098 1.00 0.00 C ATOM 0 H LEU A 17 -25.023 -7.067 5.726 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.497 -9.386 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.522 -8.781 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.169 -10.160 4.114 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.962 -7.309 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.229 -7.420 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.492 -7.518 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.681 -8.990 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.508 -8.341 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.983 -9.925 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.405 -9.123 2.532 1.00 0.00 H new ATOM 302 N PRO A 18 -25.951 -11.163 6.394 1.00 0.00 N ATOM 303 CA PRO A 18 -25.881 -12.091 7.561 1.00 0.00 C ATOM 304 C PRO A 18 -24.438 -12.413 7.972 1.00 0.00 C ATOM 305 O PRO A 18 -23.568 -12.607 7.147 1.00 0.00 O ATOM 306 CB PRO A 18 -26.616 -13.355 7.075 1.00 0.00 C ATOM 307 CG PRO A 18 -26.526 -13.306 5.583 1.00 0.00 C ATOM 308 CD PRO A 18 -26.531 -11.823 5.209 1.00 0.00 C ATOM 0 HA PRO A 18 -26.329 -11.652 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.150 -14.258 7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.654 -13.360 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.617 -13.794 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.366 -13.827 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.938 -11.633 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.540 -11.465 5.004 1.00 0.00 H new ATOM 316 N ARG A 19 -24.194 -12.489 9.254 1.00 0.00 N ATOM 317 CA ARG A 19 -22.828 -12.820 9.757 1.00 0.00 C ATOM 318 C ARG A 19 -22.749 -14.323 10.016 1.00 0.00 C ATOM 319 O ARG A 19 -21.745 -14.838 10.471 1.00 0.00 O ATOM 320 CB ARG A 19 -22.565 -12.052 11.056 1.00 0.00 C ATOM 321 CG ARG A 19 -23.643 -12.401 12.086 1.00 0.00 C ATOM 322 CD ARG A 19 -23.413 -11.597 13.366 1.00 0.00 C ATOM 323 NE ARG A 19 -24.432 -11.991 14.377 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.637 -11.495 14.315 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.948 -10.662 13.360 1.00 0.00 N ATOM 326 NH2 ARG A 19 -26.531 -11.837 15.200 1.00 0.00 N ATOM 0 H ARG A 19 -24.891 -12.334 9.982 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.078 -12.537 9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -21.579 -12.305 11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.566 -10.979 10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.631 -12.183 11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -23.617 -13.468 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -22.410 -11.781 13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.483 -10.529 13.157 1.00 0.00 H new ATOM 0 HE ARG A 19 -24.188 -12.648 15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -25.250 -10.400 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.889 -10.273 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.289 -12.493 15.942 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.473 -11.448 15.150 1.00 0.00 H new ATOM 340 N ASP A 20 -23.810 -15.027 9.729 1.00 0.00 N ATOM 341 CA ASP A 20 -23.820 -16.499 9.957 1.00 0.00 C ATOM 342 C ASP A 20 -23.153 -17.199 8.774 1.00 0.00 C ATOM 343 O ASP A 20 -23.062 -18.412 8.727 1.00 0.00 O ATOM 344 CB ASP A 20 -25.269 -16.978 10.080 1.00 0.00 C ATOM 345 CG ASP A 20 -26.059 -16.544 8.842 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.468 -16.482 7.778 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.245 -16.290 8.980 1.00 0.00 O ATOM 0 H ASP A 20 -24.674 -14.644 9.345 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.276 -16.734 10.872 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.297 -18.063 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.725 -16.563 10.979 1.00 0.00 H new ATOM 352 N GLU A 21 -22.683 -16.445 7.817 1.00 0.00 N ATOM 353 CA GLU A 21 -22.016 -17.058 6.632 1.00 0.00 C ATOM 354 C GLU A 21 -20.530 -17.255 6.929 1.00 0.00 C ATOM 355 O GLU A 21 -19.897 -16.430 7.558 1.00 0.00 O ATOM 356 CB GLU A 21 -22.186 -16.136 5.424 1.00 0.00 C ATOM 357 CG GLU A 21 -23.654 -16.139 4.992 1.00 0.00 C ATOM 358 CD GLU A 21 -23.861 -15.133 3.860 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.905 -14.460 3.510 1.00 0.00 O ATOM 360 OE2 GLU A 21 -24.971 -15.054 3.360 1.00 0.00 O ATOM 0 H GLU A 21 -22.733 -15.426 7.805 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.469 -18.025 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.871 -15.124 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.552 -16.472 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -23.944 -17.137 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -24.292 -15.885 5.838 1.00 0.00 H new ATOM 367 N LYS A 22 -19.972 -18.348 6.484 1.00 0.00 N ATOM 368 CA LYS A 22 -18.527 -18.610 6.743 1.00 0.00 C ATOM 369 C LYS A 22 -17.669 -17.833 5.745 1.00 0.00 C ATOM 370 O LYS A 22 -17.987 -17.744 4.574 1.00 0.00 O ATOM 371 CB LYS A 22 -18.257 -20.108 6.601 1.00 0.00 C ATOM 372 CG LYS A 22 -18.954 -20.853 7.740 1.00 0.00 C ATOM 373 CD LYS A 22 -18.706 -22.355 7.601 1.00 0.00 C ATOM 374 CE LYS A 22 -19.324 -23.087 8.795 1.00 0.00 C ATOM 375 NZ LYS A 22 -20.801 -23.164 8.620 1.00 0.00 N ATOM 0 H LYS A 22 -20.455 -19.072 5.952 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.273 -18.285 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.622 -20.466 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.184 -20.301 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.580 -20.500 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -20.024 -20.648 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.141 -22.722 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.636 -22.555 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.904 -24.089 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.084 -22.563 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.210 -23.748 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.206 -22.207 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.019 -23.591 7.697 1.00 0.00 H new ATOM 389 N TRP A 23 -16.579 -17.266 6.205 1.00 0.00 N ATOM 390 CA TRP A 23 -15.683 -16.481 5.299 1.00 0.00 C ATOM 391 C TRP A 23 -14.430 -17.298 4.975 1.00 0.00 C ATOM 392 O TRP A 23 -14.022 -18.165 5.725 1.00 0.00 O ATOM 393 CB TRP A 23 -15.282 -15.167 5.990 1.00 0.00 C ATOM 394 CG TRP A 23 -16.360 -14.144 5.797 1.00 0.00 C ATOM 395 CD1 TRP A 23 -16.825 -13.723 4.597 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.114 -13.411 6.807 1.00 0.00 C ATOM 397 NE1 TRP A 23 -17.817 -12.783 4.807 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.030 -12.555 6.151 1.00 0.00 C ATOM 399 CE3 TRP A 23 -17.091 -13.404 8.213 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.896 -11.725 6.863 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -17.961 -12.569 8.934 1.00 0.00 C ATOM 402 CH2 TRP A 23 -18.860 -11.730 8.259 1.00 0.00 C ATOM 0 H TRP A 23 -16.270 -17.314 7.176 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.211 -16.257 4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.118 -15.340 7.054 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.342 -14.801 5.578 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.478 -14.065 3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -18.329 -12.315 4.059 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -16.400 -14.044 8.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.589 -11.084 6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.937 -12.573 10.014 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.524 -11.088 8.819 1.00 0.00 H new ATOM 413 N GLU A 24 -13.822 -17.015 3.851 1.00 0.00 N ATOM 414 CA GLU A 24 -12.588 -17.746 3.435 1.00 0.00 C ATOM 415 C GLU A 24 -11.399 -16.795 3.553 1.00 0.00 C ATOM 416 O GLU A 24 -11.340 -15.772 2.900 1.00 0.00 O ATOM 417 CB GLU A 24 -12.747 -18.202 1.981 1.00 0.00 C ATOM 418 CG GLU A 24 -13.865 -19.245 1.891 1.00 0.00 C ATOM 419 CD GLU A 24 -13.452 -20.506 2.655 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.263 -20.689 2.854 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.332 -21.263 3.030 1.00 0.00 O ATOM 0 H GLU A 24 -14.133 -16.298 3.195 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.426 -18.617 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.980 -17.348 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.811 -18.625 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.788 -18.841 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.066 -19.489 0.848 1.00 0.00 H new ATOM 428 N CYS A 25 -10.460 -17.125 4.398 1.00 0.00 N ATOM 429 CA CYS A 25 -9.273 -16.246 4.589 1.00 0.00 C ATOM 430 C CYS A 25 -8.236 -16.513 3.497 1.00 0.00 C ATOM 431 O CYS A 25 -8.044 -17.634 3.065 1.00 0.00 O ATOM 432 CB CYS A 25 -8.654 -16.534 5.957 1.00 0.00 C ATOM 433 SG CYS A 25 -7.848 -18.155 5.917 1.00 0.00 S ATOM 0 H CYS A 25 -10.465 -17.971 4.967 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.586 -15.203 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.929 -15.761 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.424 -16.516 6.729 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.705 -18.538 4.683 1.00 0.00 H new ATOM 439 N GLU A 26 -7.558 -15.485 3.063 1.00 0.00 N ATOM 440 CA GLU A 26 -6.510 -15.635 2.007 1.00 0.00 C ATOM 441 C GLU A 26 -5.264 -14.866 2.447 1.00 0.00 C ATOM 442 O GLU A 26 -5.223 -13.654 2.400 1.00 0.00 O ATOM 443 CB GLU A 26 -7.037 -15.054 0.692 1.00 0.00 C ATOM 444 CG GLU A 26 -5.992 -15.214 -0.412 1.00 0.00 C ATOM 445 CD GLU A 26 -6.572 -14.696 -1.729 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.780 -14.534 -1.796 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.802 -14.470 -2.648 1.00 0.00 O ATOM 0 H GLU A 26 -7.687 -14.531 3.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.264 -16.687 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.959 -15.560 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.280 -13.999 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.088 -14.662 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.708 -16.262 -0.512 1.00 0.00 H new ATOM 454 N SER A 27 -4.247 -15.562 2.888 1.00 0.00 N ATOM 455 CA SER A 27 -3.006 -14.870 3.349 1.00 0.00 C ATOM 456 C SER A 27 -2.021 -14.731 2.190 1.00 0.00 C ATOM 457 O SER A 27 -1.408 -15.692 1.765 1.00 0.00 O ATOM 458 CB SER A 27 -2.351 -15.690 4.463 1.00 0.00 C ATOM 459 OG SER A 27 -1.050 -15.178 4.719 1.00 0.00 O ATOM 0 H SER A 27 -4.223 -16.580 2.949 1.00 0.00 H new ATOM 0 HA SER A 27 -3.270 -13.879 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.957 -15.645 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.291 -16.739 4.172 1.00 0.00 H new ATOM 0 HG SER A 27 -0.628 -15.700 5.433 1.00 0.00 H new ATOM 465 N ILE A 28 -1.853 -13.534 1.686 1.00 0.00 N ATOM 466 CA ILE A 28 -0.895 -13.305 0.559 1.00 0.00 C ATOM 467 C ILE A 28 -0.037 -12.077 0.866 1.00 0.00 C ATOM 468 O ILE A 28 -0.430 -11.200 1.612 1.00 0.00 O ATOM 469 CB ILE A 28 -1.670 -13.086 -0.742 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.766 -12.041 -0.517 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.303 -14.410 -1.180 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.390 -11.653 -1.860 1.00 0.00 C ATOM 0 H ILE A 28 -2.342 -12.699 2.009 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.251 -14.177 0.445 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.991 -12.732 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.531 -12.440 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.348 -11.160 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.857 -14.260 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.521 -15.152 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.983 -14.762 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.170 -10.909 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.622 -11.237 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.823 -12.537 -2.329 1.00 0.00 H new ATOM 484 N GLU A 29 1.138 -12.012 0.300 1.00 0.00 N ATOM 485 CA GLU A 29 2.039 -10.849 0.553 1.00 0.00 C ATOM 486 C GLU A 29 1.846 -9.805 -0.545 1.00 0.00 C ATOM 487 O GLU A 29 1.910 -10.111 -1.720 1.00 0.00 O ATOM 488 CB GLU A 29 3.490 -11.332 0.548 1.00 0.00 C ATOM 489 CG GLU A 29 3.729 -12.221 1.769 1.00 0.00 C ATOM 490 CD GLU A 29 5.154 -12.776 1.728 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.878 -12.429 0.809 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.496 -13.540 2.615 1.00 0.00 O ATOM 0 H GLU A 29 1.515 -12.719 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 29 1.802 -10.403 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.698 -11.887 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.169 -10.480 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.577 -11.648 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.009 -13.039 1.782 1.00 0.00 H new ATOM 499 N GLU A 30 1.611 -8.570 -0.178 1.00 0.00 N ATOM 500 CA GLU A 30 1.417 -7.507 -1.212 1.00 0.00 C ATOM 501 C GLU A 30 2.049 -6.201 -0.725 1.00 0.00 C ATOM 502 O GLU A 30 2.036 -5.884 0.449 1.00 0.00 O ATOM 503 CB GLU A 30 -0.084 -7.304 -1.462 1.00 0.00 C ATOM 504 CG GLU A 30 -0.291 -6.331 -2.629 1.00 0.00 C ATOM 505 CD GLU A 30 0.158 -6.992 -3.936 1.00 0.00 C ATOM 506 OE1 GLU A 30 0.425 -8.182 -3.917 1.00 0.00 O ATOM 507 OE2 GLU A 30 0.231 -6.293 -4.935 1.00 0.00 O ATOM 0 H GLU A 30 1.545 -8.252 0.789 1.00 0.00 H new ATOM 0 HA GLU A 30 1.896 -7.809 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.557 -8.260 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.562 -6.915 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.341 -6.046 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.277 -5.417 -2.458 1.00 0.00 H new ATOM 514 N VAL A 31 2.610 -5.452 -1.632 1.00 0.00 N ATOM 515 CA VAL A 31 3.262 -4.166 -1.262 1.00 0.00 C ATOM 516 C VAL A 31 2.202 -3.092 -1.023 1.00 0.00 C ATOM 517 O VAL A 31 1.238 -2.976 -1.753 1.00 0.00 O ATOM 518 CB VAL A 31 4.189 -3.735 -2.398 1.00 0.00 C ATOM 519 CG1 VAL A 31 5.041 -2.547 -1.948 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.103 -4.903 -2.772 1.00 0.00 C ATOM 0 H VAL A 31 2.645 -5.679 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 31 3.838 -4.299 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 31 3.592 -3.442 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.700 -2.243 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.391 -1.715 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.640 -2.835 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.767 -4.601 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.697 -5.192 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.498 -5.750 -3.096 1.00 0.00 H new ATOM 530 N ALA A 32 2.375 -2.306 0.003 1.00 0.00 N ATOM 531 CA ALA A 32 1.384 -1.235 0.311 1.00 0.00 C ATOM 532 C ALA A 32 1.102 -0.421 -0.954 1.00 0.00 C ATOM 533 O ALA A 32 0.069 0.209 -1.082 1.00 0.00 O ATOM 534 CB ALA A 32 1.960 -0.310 1.386 1.00 0.00 C ATOM 0 H ALA A 32 3.165 -2.359 0.646 1.00 0.00 H new ATOM 0 HA ALA A 32 0.459 -1.687 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.239 0.475 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.168 -0.886 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.883 0.140 1.022 1.00 0.00 H new ATOM 540 N ASP A 33 2.014 -0.424 -1.884 1.00 0.00 N ATOM 541 CA ASP A 33 1.809 0.354 -3.140 1.00 0.00 C ATOM 542 C ASP A 33 0.564 -0.151 -3.875 1.00 0.00 C ATOM 543 O ASP A 33 -0.297 0.617 -4.257 1.00 0.00 O ATOM 544 CB ASP A 33 3.034 0.172 -4.042 1.00 0.00 C ATOM 545 CG ASP A 33 2.844 0.967 -5.337 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.779 1.534 -5.509 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.770 0.993 -6.132 1.00 0.00 O ATOM 0 H ASP A 33 2.896 -0.933 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 33 1.674 1.407 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.932 0.510 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.176 -0.884 -4.270 1.00 0.00 H new ATOM 552 N ASP A 34 0.468 -1.433 -4.079 1.00 0.00 N ATOM 553 CA ASP A 34 -0.715 -1.993 -4.793 1.00 0.00 C ATOM 554 C ASP A 34 -1.959 -1.911 -3.903 1.00 0.00 C ATOM 555 O ASP A 34 -3.063 -1.722 -4.377 1.00 0.00 O ATOM 556 CB ASP A 34 -0.443 -3.456 -5.149 1.00 0.00 C ATOM 557 CG ASP A 34 -1.471 -3.932 -6.178 1.00 0.00 C ATOM 558 OD1 ASP A 34 -2.501 -3.288 -6.299 1.00 0.00 O ATOM 559 OD2 ASP A 34 -1.210 -4.932 -6.826 1.00 0.00 O ATOM 0 H ASP A 34 1.159 -2.121 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.890 -1.415 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.565 -3.562 -5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.496 -4.075 -4.253 1.00 0.00 H new ATOM 564 N ILE A 35 -1.792 -2.076 -2.622 1.00 0.00 N ATOM 565 CA ILE A 35 -2.961 -2.037 -1.703 1.00 0.00 C ATOM 566 C ILE A 35 -3.469 -0.598 -1.562 1.00 0.00 C ATOM 567 O ILE A 35 -4.481 -0.227 -2.126 1.00 0.00 O ATOM 568 CB ILE A 35 -2.535 -2.552 -0.325 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.774 -3.876 -0.473 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.778 -2.784 0.539 1.00 0.00 C ATOM 571 CD1 ILE A 35 -1.279 -4.344 0.902 1.00 0.00 C ATOM 0 H ILE A 35 -0.892 -2.237 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.756 -2.663 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.887 -1.812 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.423 -4.633 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.929 -3.748 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.476 -3.151 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.322 -1.846 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.422 -3.521 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.739 -5.285 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.614 -3.591 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.132 -4.490 1.565 1.00 0.00 H new ATOM 583 N LEU A 36 -2.786 0.205 -0.795 1.00 0.00 N ATOM 584 CA LEU A 36 -3.230 1.612 -0.591 1.00 0.00 C ATOM 585 C LEU A 36 -2.969 2.425 -1.871 1.00 0.00 C ATOM 586 O LEU A 36 -2.031 2.154 -2.595 1.00 0.00 O ATOM 587 CB LEU A 36 -2.437 2.214 0.578 1.00 0.00 C ATOM 588 CG LEU A 36 -2.361 1.205 1.726 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.639 1.842 2.915 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.778 0.798 2.149 1.00 0.00 C ATOM 0 H LEU A 36 -1.934 -0.055 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.296 1.638 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.433 2.481 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.915 3.132 0.919 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.814 0.322 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.584 1.125 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.631 2.130 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.187 2.725 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.721 0.079 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.327 1.680 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.294 0.345 1.303 1.00 0.00 H new ATOM 602 N PRO A 37 -3.784 3.419 -2.153 1.00 0.00 N ATOM 603 CA PRO A 37 -3.615 4.271 -3.369 1.00 0.00 C ATOM 604 C PRO A 37 -2.321 5.090 -3.315 1.00 0.00 C ATOM 605 O PRO A 37 -1.840 5.440 -2.256 1.00 0.00 O ATOM 606 CB PRO A 37 -4.856 5.183 -3.360 1.00 0.00 C ATOM 607 CG PRO A 37 -5.289 5.221 -1.931 1.00 0.00 C ATOM 608 CD PRO A 37 -4.948 3.847 -1.355 1.00 0.00 C ATOM 0 HA PRO A 37 -3.536 3.678 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.617 6.181 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.643 4.787 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.773 6.012 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.357 5.424 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.707 3.905 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.781 3.152 -1.455 1.00 0.00 H new ATOM 616 N ASP A 38 -1.757 5.392 -4.450 1.00 0.00 N ATOM 617 CA ASP A 38 -0.492 6.176 -4.470 1.00 0.00 C ATOM 618 C ASP A 38 -0.652 7.434 -3.614 1.00 0.00 C ATOM 619 O ASP A 38 0.305 8.118 -3.310 1.00 0.00 O ATOM 620 CB ASP A 38 -0.163 6.572 -5.911 1.00 0.00 C ATOM 621 CG ASP A 38 0.272 5.327 -6.687 1.00 0.00 C ATOM 622 OD1 ASP A 38 0.553 4.324 -6.052 1.00 0.00 O ATOM 623 OD2 ASP A 38 0.316 5.397 -7.904 1.00 0.00 O ATOM 0 H ASP A 38 -2.118 5.129 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 38 0.318 5.569 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.034 7.025 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.631 7.319 -5.924 1.00 0.00 H new ATOM 628 N GLN A 39 -1.858 7.742 -3.221 1.00 0.00 N ATOM 629 CA GLN A 39 -2.087 8.951 -2.379 1.00 0.00 C ATOM 630 C GLN A 39 -1.779 8.633 -0.912 1.00 0.00 C ATOM 631 O GLN A 39 -1.327 9.481 -0.167 1.00 0.00 O ATOM 632 CB GLN A 39 -3.545 9.387 -2.514 1.00 0.00 C ATOM 633 CG GLN A 39 -3.787 9.921 -3.926 1.00 0.00 C ATOM 634 CD GLN A 39 -5.250 10.339 -4.070 1.00 0.00 C ATOM 635 OE1 GLN A 39 -5.784 11.026 -3.222 1.00 0.00 O ATOM 636 NE2 GLN A 39 -5.927 9.952 -5.117 1.00 0.00 N ATOM 0 H GLN A 39 -2.697 7.207 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.430 9.754 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.208 8.545 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.775 10.157 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.134 10.772 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.542 9.156 -4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.479 9.375 -5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.904 10.226 -5.223 1.00 0.00 H new ATOM 645 N TYR A 40 -2.029 7.417 -0.490 1.00 0.00 N ATOM 646 CA TYR A 40 -1.765 7.027 0.934 1.00 0.00 C ATOM 647 C TYR A 40 -0.499 6.166 1.009 1.00 0.00 C ATOM 648 O TYR A 40 -0.185 5.596 2.038 1.00 0.00 O ATOM 649 CB TYR A 40 -2.969 6.235 1.467 1.00 0.00 C ATOM 650 CG TYR A 40 -4.063 7.194 1.899 1.00 0.00 C ATOM 651 CD1 TYR A 40 -4.726 7.976 0.944 1.00 0.00 C ATOM 652 CD2 TYR A 40 -4.411 7.301 3.253 1.00 0.00 C ATOM 653 CE1 TYR A 40 -5.734 8.864 1.343 1.00 0.00 C ATOM 654 CE2 TYR A 40 -5.418 8.187 3.650 1.00 0.00 C ATOM 655 CZ TYR A 40 -6.079 8.969 2.695 1.00 0.00 C ATOM 656 OH TYR A 40 -7.072 9.843 3.088 1.00 0.00 O ATOM 0 H TYR A 40 -2.407 6.671 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.619 7.921 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.345 5.563 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.664 5.614 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.460 7.894 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.901 6.699 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.245 9.467 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.686 8.268 4.693 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.726 9.941 2.365 1.00 0.00 H new ATOM 666 N VAL A 41 0.236 6.071 -0.068 1.00 0.00 N ATOM 667 CA VAL A 41 1.489 5.251 -0.056 1.00 0.00 C ATOM 668 C VAL A 41 2.687 6.165 0.198 1.00 0.00 C ATOM 669 O VAL A 41 3.404 6.015 1.167 1.00 0.00 O ATOM 670 CB VAL A 41 1.662 4.575 -1.419 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.026 3.880 -1.480 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.545 3.543 -1.629 1.00 0.00 C ATOM 0 H VAL A 41 0.025 6.525 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 41 1.424 4.497 0.728 1.00 0.00 H new ATOM 0 HB VAL A 41 1.607 5.329 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.147 3.400 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.817 4.617 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.087 3.128 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.671 3.063 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.593 2.789 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.423 4.042 -1.594 1.00 0.00 H new ATOM 682 N ARG A 42 2.905 7.114 -0.668 1.00 0.00 N ATOM 683 CA ARG A 42 4.052 8.040 -0.480 1.00 0.00 C ATOM 684 C ARG A 42 3.831 8.868 0.789 1.00 0.00 C ATOM 685 O ARG A 42 4.739 9.089 1.565 1.00 0.00 O ATOM 686 CB ARG A 42 4.154 8.973 -1.690 1.00 0.00 C ATOM 687 CG ARG A 42 4.632 8.178 -2.907 1.00 0.00 C ATOM 688 CD ARG A 42 4.692 9.100 -4.126 1.00 0.00 C ATOM 689 NE ARG A 42 5.181 8.331 -5.309 1.00 0.00 N ATOM 690 CZ ARG A 42 4.341 7.681 -6.075 1.00 0.00 C ATOM 691 NH1 ARG A 42 3.064 7.688 -5.802 1.00 0.00 N ATOM 692 NH2 ARG A 42 4.780 7.021 -7.110 1.00 0.00 N ATOM 0 H ARG A 42 2.338 7.287 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 42 4.975 7.468 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.184 9.426 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.848 9.787 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.616 7.750 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.955 7.346 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.705 9.514 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.355 9.941 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 42 6.178 8.312 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.719 8.201 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.412 7.181 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.777 7.011 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.126 6.515 -7.707 1.00 0.00 H new ATOM 706 N LEU A 43 2.628 9.326 1.006 1.00 0.00 N ATOM 707 CA LEU A 43 2.348 10.137 2.225 1.00 0.00 C ATOM 708 C LEU A 43 2.566 9.276 3.473 1.00 0.00 C ATOM 709 O LEU A 43 3.163 9.709 4.441 1.00 0.00 O ATOM 710 CB LEU A 43 0.897 10.629 2.182 1.00 0.00 C ATOM 711 CG LEU A 43 0.602 11.531 3.402 1.00 0.00 C ATOM 712 CD1 LEU A 43 -0.632 12.397 3.104 1.00 0.00 C ATOM 713 CD2 LEU A 43 0.352 10.685 4.681 1.00 0.00 C ATOM 0 H LEU A 43 1.828 9.174 0.392 1.00 0.00 H new ATOM 0 HA LEU A 43 3.021 10.994 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.721 11.183 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.217 9.777 2.177 1.00 0.00 H new ATOM 0 HG LEU A 43 1.470 12.165 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.844 13.035 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.438 13.018 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.490 11.753 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.147 11.348 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.503 10.028 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.236 10.085 4.899 1.00 0.00 H new ATOM 725 N GLY A 44 2.088 8.062 3.461 1.00 0.00 N ATOM 726 CA GLY A 44 2.261 7.182 4.650 1.00 0.00 C ATOM 727 C GLY A 44 3.692 6.621 4.684 1.00 0.00 C ATOM 728 O GLY A 44 4.320 6.446 3.656 1.00 0.00 O ATOM 0 H GLY A 44 1.585 7.642 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.060 7.745 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.541 6.364 4.615 1.00 0.00 H new ATOM 732 N PRO A 45 4.198 6.323 5.858 1.00 0.00 N ATOM 733 CA PRO A 45 5.574 5.766 6.023 1.00 0.00 C ATOM 734 C PRO A 45 5.672 4.358 5.434 1.00 0.00 C ATOM 735 O PRO A 45 6.743 3.815 5.250 1.00 0.00 O ATOM 736 CB PRO A 45 5.780 5.746 7.549 1.00 0.00 C ATOM 737 CG PRO A 45 4.401 5.691 8.123 1.00 0.00 C ATOM 738 CD PRO A 45 3.515 6.474 7.157 1.00 0.00 C ATOM 0 HA PRO A 45 6.332 6.353 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.371 4.883 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.314 6.634 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.059 4.661 8.219 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.375 6.130 9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.502 6.072 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.433 7.521 7.447 1.00 0.00 H new ATOM 746 N LEU A 46 4.549 3.770 5.145 1.00 0.00 N ATOM 747 CA LEU A 46 4.537 2.401 4.570 1.00 0.00 C ATOM 748 C LEU A 46 5.239 2.423 3.208 1.00 0.00 C ATOM 749 O LEU A 46 5.995 1.529 2.875 1.00 0.00 O ATOM 750 CB LEU A 46 3.086 1.957 4.388 1.00 0.00 C ATOM 751 CG LEU A 46 2.383 1.907 5.752 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.904 1.570 5.540 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.040 0.844 6.654 1.00 0.00 C ATOM 0 H LEU A 46 3.628 4.185 5.285 1.00 0.00 H new ATOM 0 HA LEU A 46 5.055 1.709 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.565 2.648 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.053 0.975 3.915 1.00 0.00 H new ATOM 0 HG LEU A 46 2.473 2.877 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.397 1.533 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.442 2.336 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.819 0.601 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.531 0.820 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.964 -0.134 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.090 1.093 6.804 1.00 0.00 H new ATOM 765 N SER A 47 4.996 3.440 2.419 1.00 0.00 N ATOM 766 CA SER A 47 5.643 3.531 1.074 1.00 0.00 C ATOM 767 C SER A 47 5.624 2.160 0.380 1.00 0.00 C ATOM 768 O SER A 47 4.580 1.597 0.117 1.00 0.00 O ATOM 769 CB SER A 47 7.089 4.001 1.241 1.00 0.00 C ATOM 770 OG SER A 47 7.098 5.365 1.636 1.00 0.00 O ATOM 0 H SER A 47 4.374 4.215 2.650 1.00 0.00 H new ATOM 0 HA SER A 47 5.091 4.243 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.597 3.391 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.634 3.878 0.305 1.00 0.00 H new ATOM 0 HG SER A 47 8.024 5.668 1.745 1.00 0.00 H new ATOM 776 N ASN A 48 6.778 1.622 0.080 1.00 0.00 N ATOM 777 CA ASN A 48 6.847 0.295 -0.603 1.00 0.00 C ATOM 778 C ASN A 48 7.078 -0.803 0.434 1.00 0.00 C ATOM 779 O ASN A 48 7.754 -1.780 0.176 1.00 0.00 O ATOM 780 CB ASN A 48 8.015 0.301 -1.591 1.00 0.00 C ATOM 781 CG ASN A 48 7.761 1.340 -2.686 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.684 1.800 -3.326 1.00 0.00 O ATOM 783 ND2 ASN A 48 6.540 1.731 -2.931 1.00 0.00 N ATOM 0 H ASN A 48 7.683 2.048 0.280 1.00 0.00 H new ATOM 0 HA ASN A 48 5.912 0.108 -1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.944 0.529 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.133 -0.687 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.362 2.422 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.763 1.345 -2.394 1.00 0.00 H new ATOM 790 N LYS A 49 6.536 -0.649 1.609 1.00 0.00 N ATOM 791 CA LYS A 49 6.741 -1.683 2.660 1.00 0.00 C ATOM 792 C LYS A 49 5.904 -2.922 2.335 1.00 0.00 C ATOM 793 O LYS A 49 4.779 -2.827 1.883 1.00 0.00 O ATOM 794 CB LYS A 49 6.330 -1.115 4.026 1.00 0.00 C ATOM 795 CG LYS A 49 6.559 -2.153 5.142 1.00 0.00 C ATOM 796 CD LYS A 49 8.058 -2.449 5.289 1.00 0.00 C ATOM 797 CE LYS A 49 8.320 -3.137 6.627 1.00 0.00 C ATOM 798 NZ LYS A 49 9.779 -3.421 6.758 1.00 0.00 N ATOM 0 H LYS A 49 5.961 0.146 1.887 1.00 0.00 H new ATOM 0 HA LYS A 49 7.794 -1.965 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.905 -0.214 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.280 -0.825 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.160 -1.778 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.020 -3.072 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.395 -3.085 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.629 -1.522 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.986 -2.501 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.750 -4.064 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.931 -4.115 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.140 -3.805 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.285 -2.541 6.987 1.00 0.00 H new ATOM 812 N ILE A 50 6.449 -4.085 2.572 1.00 0.00 N ATOM 813 CA ILE A 50 5.700 -5.340 2.293 1.00 0.00 C ATOM 814 C ILE A 50 4.811 -5.655 3.495 1.00 0.00 C ATOM 815 O ILE A 50 5.286 -5.820 4.602 1.00 0.00 O ATOM 816 CB ILE A 50 6.698 -6.480 2.072 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.456 -6.254 0.756 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.952 -7.815 2.008 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.290 -4.968 0.834 1.00 0.00 C ATOM 0 H ILE A 50 7.387 -4.218 2.949 1.00 0.00 H new ATOM 0 HA ILE A 50 5.084 -5.225 1.401 1.00 0.00 H new ATOM 0 HB ILE A 50 7.406 -6.501 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.106 -7.105 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.750 -6.187 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.666 -8.624 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.419 -7.979 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.239 -7.794 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.822 -4.821 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.632 -4.118 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.010 -5.050 1.649 1.00 0.00 H new ATOM 831 N LEU A 51 3.520 -5.727 3.287 1.00 0.00 N ATOM 832 CA LEU A 51 2.577 -6.018 4.410 1.00 0.00 C ATOM 833 C LEU A 51 1.790 -7.290 4.113 1.00 0.00 C ATOM 834 O LEU A 51 1.360 -7.526 2.996 1.00 0.00 O ATOM 835 CB LEU A 51 1.609 -4.843 4.561 1.00 0.00 C ATOM 836 CG LEU A 51 2.404 -3.551 4.786 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.434 -2.370 4.891 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.236 -3.658 6.078 1.00 0.00 C ATOM 0 H LEU A 51 3.075 -5.595 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 3.141 -6.158 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.990 -4.751 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.935 -5.019 5.400 1.00 0.00 H new ATOM 0 HG LEU A 51 3.080 -3.395 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.997 -1.450 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.859 -2.288 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.755 -2.530 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.796 -2.735 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.571 -3.820 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.930 -4.494 5.996 1.00 0.00 H new ATOM 850 N GLN A 52 1.590 -8.108 5.109 1.00 0.00 N ATOM 851 CA GLN A 52 0.819 -9.357 4.897 1.00 0.00 C ATOM 852 C GLN A 52 -0.643 -8.974 4.680 1.00 0.00 C ATOM 853 O GLN A 52 -1.285 -8.427 5.557 1.00 0.00 O ATOM 854 CB GLN A 52 0.948 -10.244 6.140 1.00 0.00 C ATOM 855 CG GLN A 52 0.257 -11.588 5.897 1.00 0.00 C ATOM 856 CD GLN A 52 1.006 -12.360 4.810 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.220 -12.329 4.753 1.00 0.00 O ATOM 858 NE2 GLN A 52 0.329 -13.058 3.941 1.00 0.00 N ATOM 0 H GLN A 52 1.929 -7.962 6.060 1.00 0.00 H new ATOM 0 HA GLN A 52 1.195 -9.904 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.000 -10.404 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.501 -9.746 7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.234 -12.169 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.778 -11.427 5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.690 -13.083 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.818 -13.579 3.213 1.00 0.00 H new ATOM 867 N THR A 53 -1.175 -9.241 3.516 1.00 0.00 N ATOM 868 CA THR A 53 -2.596 -8.876 3.238 1.00 0.00 C ATOM 869 C THR A 53 -3.485 -10.101 3.428 1.00 0.00 C ATOM 870 O THR A 53 -3.370 -11.082 2.719 1.00 0.00 O ATOM 871 CB THR A 53 -2.716 -8.379 1.792 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.940 -7.201 1.635 1.00 0.00 O ATOM 873 CG2 THR A 53 -4.181 -8.074 1.467 1.00 0.00 C ATOM 0 H THR A 53 -0.686 -9.696 2.745 1.00 0.00 H new ATOM 0 HA THR A 53 -2.912 -8.090 3.924 1.00 0.00 H new ATOM 0 HB THR A 53 -2.353 -9.151 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.997 -7.443 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.260 -7.721 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.776 -8.979 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.551 -7.304 2.144 1.00 0.00 H new ATOM 881 N ASN A 54 -4.381 -10.040 4.379 1.00 0.00 N ATOM 882 CA ASN A 54 -5.309 -11.180 4.636 1.00 0.00 C ATOM 883 C ASN A 54 -6.707 -10.766 4.188 1.00 0.00 C ATOM 884 O ASN A 54 -7.398 -10.032 4.867 1.00 0.00 O ATOM 885 CB ASN A 54 -5.313 -11.501 6.132 1.00 0.00 C ATOM 886 CG ASN A 54 -4.028 -12.252 6.493 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.086 -11.666 6.989 1.00 0.00 O ATOM 888 ND2 ASN A 54 -3.947 -13.535 6.263 1.00 0.00 N ATOM 0 H ASN A 54 -4.510 -9.238 4.996 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.990 -12.066 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.385 -10.581 6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.184 -12.106 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.095 -14.043 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.736 -14.029 5.847 1.00 0.00 H new ATOM 895 N THR A 55 -7.122 -11.217 3.032 1.00 0.00 N ATOM 896 CA THR A 55 -8.468 -10.837 2.512 1.00 0.00 C ATOM 897 C THR A 55 -9.481 -11.931 2.829 1.00 0.00 C ATOM 898 O THR A 55 -9.266 -13.095 2.549 1.00 0.00 O ATOM 899 CB THR A 55 -8.391 -10.643 0.997 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.440 -9.629 0.701 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.762 -10.224 0.466 1.00 0.00 C ATOM 0 H THR A 55 -6.584 -11.834 2.424 1.00 0.00 H new ATOM 0 HA THR A 55 -8.784 -9.909 2.989 1.00 0.00 H new ATOM 0 HB THR A 55 -8.089 -11.578 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.387 -9.503 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.707 -10.086 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.494 -10.999 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.064 -9.288 0.937 1.00 0.00 H new ATOM 909 N TYR A 56 -10.593 -11.554 3.405 1.00 0.00 N ATOM 910 CA TYR A 56 -11.655 -12.544 3.747 1.00 0.00 C ATOM 911 C TYR A 56 -12.853 -12.283 2.836 1.00 0.00 C ATOM 912 O TYR A 56 -13.430 -11.214 2.858 1.00 0.00 O ATOM 913 CB TYR A 56 -12.058 -12.340 5.208 1.00 0.00 C ATOM 914 CG TYR A 56 -10.817 -12.406 6.062 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.032 -11.260 6.227 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.440 -13.608 6.675 1.00 0.00 C ATOM 917 CE1 TYR A 56 -8.871 -11.313 7.006 1.00 0.00 C ATOM 918 CE2 TYR A 56 -9.280 -13.660 7.457 1.00 0.00 C ATOM 919 CZ TYR A 56 -8.494 -12.511 7.621 1.00 0.00 C ATOM 920 OH TYR A 56 -7.346 -12.562 8.385 1.00 0.00 O ATOM 0 H TYR A 56 -10.812 -10.590 3.656 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.301 -13.566 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.553 -11.377 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.770 -13.106 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.322 -10.334 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.044 -14.494 6.544 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.265 -10.428 7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.991 -14.585 7.934 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.230 -13.468 8.741 1.00 0.00 H new ATOM 930 N TYR A 57 -13.230 -13.240 2.025 1.00 0.00 N ATOM 931 CA TYR A 57 -14.387 -13.028 1.101 1.00 0.00 C ATOM 932 C TYR A 57 -15.227 -14.302 1.016 1.00 0.00 C ATOM 933 O TYR A 57 -14.743 -15.399 1.216 1.00 0.00 O ATOM 934 CB TYR A 57 -13.864 -12.670 -0.295 1.00 0.00 C ATOM 935 CG TYR A 57 -13.054 -13.818 -0.847 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.697 -13.937 -0.525 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.659 -14.760 -1.687 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.946 -15.000 -1.040 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.908 -15.823 -2.202 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.552 -15.943 -1.880 1.00 0.00 C ATOM 941 OH TYR A 57 -10.810 -16.990 -2.389 1.00 0.00 O ATOM 0 H TYR A 57 -12.788 -14.157 1.963 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.006 -12.216 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.698 -12.449 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.250 -11.771 -0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.229 -13.209 0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.705 -14.667 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.900 -15.093 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.376 -16.551 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.382 -17.553 -2.952 1.00 0.00 H new ATOM 951 N SER A 58 -16.491 -14.154 0.720 1.00 0.00 N ATOM 952 CA SER A 58 -17.401 -15.333 0.613 1.00 0.00 C ATOM 953 C SER A 58 -18.311 -15.164 -0.602 1.00 0.00 C ATOM 954 O SER A 58 -18.204 -14.212 -1.349 1.00 0.00 O ATOM 955 CB SER A 58 -18.257 -15.434 1.873 1.00 0.00 C ATOM 956 OG SER A 58 -19.388 -16.254 1.611 1.00 0.00 O ATOM 0 H SER A 58 -16.938 -13.254 0.545 1.00 0.00 H new ATOM 0 HA SER A 58 -16.806 -16.240 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.671 -15.854 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.579 -14.441 2.188 1.00 0.00 H new ATOM 0 HG SER A 58 -19.938 -16.321 2.420 1.00 0.00 H new ATOM 962 N ASP A 59 -19.210 -16.086 -0.799 1.00 0.00 N ATOM 963 CA ASP A 59 -20.138 -15.992 -1.958 1.00 0.00 C ATOM 964 C ASP A 59 -21.015 -14.741 -1.821 1.00 0.00 C ATOM 965 O ASP A 59 -21.216 -14.004 -2.768 1.00 0.00 O ATOM 966 CB ASP A 59 -21.023 -17.242 -1.982 1.00 0.00 C ATOM 967 CG ASP A 59 -21.827 -17.285 -3.284 1.00 0.00 C ATOM 968 OD1 ASP A 59 -21.509 -16.521 -4.179 1.00 0.00 O ATOM 969 OD2 ASP A 59 -22.745 -18.084 -3.362 1.00 0.00 O ATOM 0 H ASP A 59 -19.342 -16.904 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.567 -15.923 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.406 -18.137 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.699 -17.236 -1.127 1.00 0.00 H new ATOM 974 N THR A 60 -21.542 -14.500 -0.651 1.00 0.00 N ATOM 975 CA THR A 60 -22.412 -13.300 -0.445 1.00 0.00 C ATOM 976 C THR A 60 -21.599 -12.018 -0.649 1.00 0.00 C ATOM 977 O THR A 60 -22.027 -11.102 -1.324 1.00 0.00 O ATOM 978 CB THR A 60 -22.974 -13.332 0.981 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.521 -14.617 1.237 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.070 -12.276 1.129 1.00 0.00 C ATOM 0 H THR A 60 -21.409 -15.083 0.175 1.00 0.00 H new ATOM 0 HA THR A 60 -23.228 -13.316 -1.167 1.00 0.00 H new ATOM 0 HB THR A 60 -22.174 -13.122 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.942 -15.101 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.466 -12.303 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.654 -11.289 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.872 -12.483 0.421 1.00 0.00 H new ATOM 988 N LEU A 61 -20.431 -11.942 -0.071 1.00 0.00 N ATOM 989 CA LEU A 61 -19.594 -10.717 -0.233 1.00 0.00 C ATOM 990 C LEU A 61 -19.246 -10.533 -1.713 1.00 0.00 C ATOM 991 O LEU A 61 -19.287 -9.439 -2.241 1.00 0.00 O ATOM 992 CB LEU A 61 -18.304 -10.872 0.585 1.00 0.00 C ATOM 993 CG LEU A 61 -18.554 -10.487 2.046 1.00 0.00 C ATOM 994 CD1 LEU A 61 -19.707 -11.315 2.613 1.00 0.00 C ATOM 995 CD2 LEU A 61 -17.286 -10.760 2.859 1.00 0.00 C ATOM 0 H LEU A 61 -20.019 -12.675 0.507 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.145 -9.845 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.950 -11.901 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.520 -10.242 0.164 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.812 -9.430 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.879 -11.036 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.610 -11.127 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.455 -12.374 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -17.456 -10.488 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.035 -11.819 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.463 -10.168 2.459 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.908 -11.596 -2.386 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.562 -11.482 -3.830 1.00 0.00 C ATOM 1009 C HIS A 62 -19.772 -10.928 -4.585 1.00 0.00 C ATOM 1010 O HIS A 62 -19.647 -10.082 -5.450 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.200 -12.865 -4.376 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.785 -12.746 -5.814 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -16.595 -12.144 -6.193 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -18.388 -13.150 -6.980 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.519 -12.206 -7.535 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.586 -12.809 -8.065 1.00 0.00 N ATOM 0 H HIS A 62 -18.856 -12.538 -1.999 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.711 -10.813 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.391 -13.299 -3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.054 -13.537 -4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.340 -13.656 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.695 -11.815 -8.113 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -17.773 -12.982 -9.053 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.945 -11.393 -4.252 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.173 -10.895 -4.932 1.00 0.00 C ATOM 1026 C LYS A 63 -22.325 -9.395 -4.665 1.00 0.00 C ATOM 1027 O LYS A 63 -22.622 -8.620 -5.555 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.388 -11.638 -4.374 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.634 -11.223 -5.151 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.833 -12.039 -4.666 1.00 0.00 C ATOM 1031 CE LYS A 63 -27.072 -11.642 -5.469 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.449 -10.239 -5.141 1.00 0.00 N ATOM 0 H LYS A 63 -21.106 -12.100 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.098 -11.067 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.238 -12.715 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.513 -11.411 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.825 -10.159 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.480 -11.382 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.635 -13.104 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.002 -11.863 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.872 -11.736 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -27.898 -12.315 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.432 -10.067 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.360 -10.086 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -26.818 -9.583 -5.645 1.00 0.00 H new ATOM 1046 N SER A 64 -22.114 -8.983 -3.449 1.00 0.00 N ATOM 1047 CA SER A 64 -22.230 -7.537 -3.114 1.00 0.00 C ATOM 1048 C SER A 64 -20.987 -6.807 -3.629 1.00 0.00 C ATOM 1049 O SER A 64 -20.840 -5.615 -3.452 1.00 0.00 O ATOM 1050 CB SER A 64 -22.338 -7.370 -1.598 1.00 0.00 C ATOM 1051 OG SER A 64 -23.508 -8.030 -1.136 1.00 0.00 O ATOM 0 H SER A 64 -21.865 -9.589 -2.667 1.00 0.00 H new ATOM 0 HA SER A 64 -23.121 -7.118 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.456 -7.785 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.377 -6.312 -1.339 1.00 0.00 H new ATOM 0 HG SER A 64 -23.938 -7.487 -0.443 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.093 -7.531 -4.253 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.840 -6.917 -4.788 1.00 0.00 C ATOM 1059 C ASN A 65 -18.059 -6.256 -3.653 1.00 0.00 C ATOM 1060 O ASN A 65 -17.443 -5.221 -3.830 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.170 -5.877 -5.865 1.00 0.00 C ATOM 1062 CG ASN A 65 -19.703 -6.584 -7.111 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -19.482 -7.763 -7.296 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -20.403 -5.906 -7.979 1.00 0.00 N ATOM 0 H ASN A 65 -20.179 -8.534 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.231 -7.703 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.911 -5.172 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.279 -5.301 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.765 -6.367 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.588 -4.915 -7.823 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.074 -6.854 -2.487 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.331 -6.283 -1.320 1.00 0.00 C ATOM 1073 C ILE A 66 -16.185 -7.230 -0.961 1.00 0.00 C ATOM 1074 O ILE A 66 -16.377 -8.420 -0.800 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.282 -6.156 -0.130 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.526 -5.356 -0.545 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.577 -5.438 1.023 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.122 -4.028 -1.195 1.00 0.00 C ATOM 0 H ILE A 66 -18.574 -7.721 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.935 -5.299 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.582 -7.152 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.125 -5.941 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.150 -5.165 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.259 -5.350 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.698 -6.008 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.271 -4.443 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.017 -3.476 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.543 -3.437 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.518 -4.225 -2.081 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.993 -6.706 -0.850 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.804 -7.552 -0.518 1.00 0.00 C ATOM 1092 C TYR A 67 -13.051 -6.926 0.663 1.00 0.00 C ATOM 1093 O TYR A 67 -12.151 -6.133 0.468 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.885 -7.595 -1.741 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.655 -8.139 -2.922 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -14.476 -7.290 -3.674 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.551 -9.493 -3.264 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -15.193 -7.794 -4.766 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.266 -9.998 -4.356 1.00 0.00 C ATOM 1100 CZ TYR A 67 -15.088 -9.148 -5.107 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.794 -9.645 -6.183 1.00 0.00 O ATOM 0 H TYR A 67 -14.788 -5.715 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.121 -8.560 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.510 -6.596 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.017 -8.222 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.556 -6.245 -3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.918 -10.149 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.827 -7.139 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.184 -11.042 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.305 -10.433 -5.903 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.413 -7.261 1.883 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.744 -6.697 3.086 1.00 0.00 C ATOM 1113 C PRO A 68 -11.401 -7.375 3.369 1.00 0.00 C ATOM 1114 O PRO A 68 -11.231 -8.557 3.140 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.760 -6.939 4.210 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.519 -8.163 3.796 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.479 -8.215 2.255 1.00 0.00 C ATOM 0 HA PRO A 68 -12.492 -5.643 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.260 -7.090 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.426 -6.084 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.070 -9.059 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.547 -8.119 4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.256 -9.220 1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.438 -7.928 1.823 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.441 -6.633 3.858 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.108 -7.235 4.146 1.00 0.00 C ATOM 1127 C PHE A 69 -8.399 -6.439 5.240 1.00 0.00 C ATOM 1128 O PHE A 69 -8.754 -5.312 5.545 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.256 -7.230 2.872 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.990 -5.804 2.453 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.890 -5.148 1.606 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.848 -5.138 2.914 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.649 -3.824 1.219 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.606 -3.814 2.526 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.507 -3.157 1.680 1.00 0.00 C ATOM 0 H PHE A 69 -10.524 -5.639 4.069 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.247 -8.261 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.315 -7.750 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.771 -7.765 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.770 -5.663 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.154 -5.645 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.344 -3.317 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.724 -3.300 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.322 -2.135 1.383 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.393 -7.030 5.835 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.632 -6.349 6.922 1.00 0.00 C ATOM 1147 C ILE A 70 -5.134 -6.533 6.684 1.00 0.00 C ATOM 1148 O ILE A 70 -4.700 -7.517 6.115 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.012 -6.967 8.269 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.484 -6.662 8.568 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.122 -6.385 9.373 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -8.943 -7.480 9.777 1.00 0.00 C ATOM 0 H ILE A 70 -7.064 -7.969 5.609 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.872 -5.286 6.927 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.868 -8.047 8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.612 -5.598 8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.099 -6.901 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.395 -6.827 10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.078 -6.609 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.259 -5.305 9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.990 -7.262 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.830 -8.543 9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.336 -7.219 10.644 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.341 -5.586 7.114 1.00 0.00 N ATOM 1165 CA LEU A 71 -2.863 -5.683 6.920 1.00 0.00 C ATOM 1166 C LEU A 71 -2.207 -6.053 8.248 1.00 0.00 C ATOM 1167 O LEU A 71 -2.483 -5.456 9.276 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.325 -4.327 6.456 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.136 -3.824 5.256 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.469 -2.569 4.688 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.204 -4.908 4.174 1.00 0.00 C ATOM 0 H LEU A 71 -4.656 -4.743 7.595 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.639 -6.444 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.381 -3.606 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.274 -4.418 6.183 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.149 -3.587 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.042 -2.207 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.435 -1.796 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.455 -2.809 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.782 -4.540 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.195 -5.157 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.683 -5.799 4.581 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.343 -7.041 8.235 1.00 0.00 N ATOM 1184 CA TYR A 72 -0.656 -7.478 9.490 1.00 0.00 C ATOM 1185 C TYR A 72 0.861 -7.452 9.296 1.00 0.00 C ATOM 1186 O TYR A 72 1.390 -8.009 8.351 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.088 -8.905 9.830 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.536 -8.902 10.263 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.887 -8.367 11.507 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.525 -9.430 9.423 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.226 -8.359 11.913 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.865 -9.422 9.830 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.215 -8.886 11.075 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.534 -8.877 11.477 1.00 0.00 O ATOM 0 H TYR A 72 -1.083 -7.567 7.401 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.928 -6.799 10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.958 -9.552 8.963 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.460 -9.307 10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.124 -7.960 12.154 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.254 -9.843 8.462 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.496 -7.946 12.874 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.628 -9.829 9.183 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.092 -9.279 10.778 1.00 0.00 H new ATOM 1204 N TYR A 73 1.565 -6.818 10.197 1.00 0.00 N ATOM 1205 CA TYR A 73 3.052 -6.765 10.087 1.00 0.00 C ATOM 1206 C TYR A 73 3.645 -6.243 11.399 1.00 0.00 C ATOM 1207 O TYR A 73 3.426 -5.110 11.773 1.00 0.00 O ATOM 1208 CB TYR A 73 3.457 -5.843 8.930 1.00 0.00 C ATOM 1209 CG TYR A 73 4.959 -5.674 8.919 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.778 -6.711 8.459 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.532 -4.480 9.376 1.00 0.00 C ATOM 1212 CE1 TYR A 73 7.169 -6.555 8.455 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.923 -4.325 9.374 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.741 -5.362 8.913 1.00 0.00 C ATOM 1215 OH TYR A 73 9.113 -5.209 8.912 1.00 0.00 O ATOM 0 H TYR A 73 1.173 -6.334 11.005 1.00 0.00 H new ATOM 0 HA TYR A 73 3.434 -7.767 9.892 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.121 -6.263 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.972 -4.873 9.038 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.337 -7.632 8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.900 -3.679 9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.801 -7.355 8.099 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.365 -3.405 9.728 1.00 0.00 H new ATOM 0 HH TYR A 73 9.457 -5.337 9.821 1.00 0.00 H new ATOM 1225 N GLN A 74 4.397 -7.060 12.093 1.00 0.00 N ATOM 1226 CA GLN A 74 5.014 -6.615 13.382 1.00 0.00 C ATOM 1227 C GLN A 74 3.934 -6.056 14.311 1.00 0.00 C ATOM 1228 O GLN A 74 3.429 -6.742 15.180 1.00 0.00 O ATOM 1229 CB GLN A 74 6.057 -5.528 13.106 1.00 0.00 C ATOM 1230 CG GLN A 74 7.252 -6.142 12.378 1.00 0.00 C ATOM 1231 CD GLN A 74 8.285 -5.055 12.082 1.00 0.00 C ATOM 1232 OE1 GLN A 74 9.446 -5.345 11.863 1.00 0.00 O ATOM 1233 NE2 GLN A 74 7.912 -3.805 12.066 1.00 0.00 N ATOM 0 H GLN A 74 4.611 -8.020 11.822 1.00 0.00 H new ATOM 0 HA GLN A 74 5.494 -7.469 13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.619 -4.733 12.502 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.382 -5.074 14.042 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.699 -6.926 12.989 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.924 -6.609 11.449 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.939 -3.561 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.594 -3.072 11.870 1.00 0.00 H new ATOM 1242 N LYS A 75 3.581 -4.814 14.135 1.00 0.00 N ATOM 1243 CA LYS A 75 2.537 -4.197 14.999 1.00 0.00 C ATOM 1244 C LYS A 75 1.183 -4.860 14.723 1.00 0.00 C ATOM 1245 O LYS A 75 0.149 -4.380 15.142 1.00 0.00 O ATOM 1246 CB LYS A 75 2.454 -2.698 14.700 1.00 0.00 C ATOM 1247 CG LYS A 75 3.857 -2.065 14.741 1.00 0.00 C ATOM 1248 CD LYS A 75 4.448 -2.159 16.153 1.00 0.00 C ATOM 1249 CE LYS A 75 5.753 -1.366 16.216 1.00 0.00 C ATOM 1250 NZ LYS A 75 6.238 -1.331 17.626 1.00 0.00 N ATOM 0 H LYS A 75 3.973 -4.196 13.425 1.00 0.00 H new ATOM 0 HA LYS A 75 2.797 -4.342 16.048 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.005 -2.540 13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.806 -2.210 15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.512 -2.572 14.032 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.800 -1.021 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.738 -1.769 16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.631 -3.202 16.413 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.503 -1.825 15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.595 -0.352 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.126 -0.792 17.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.523 -0.875 18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.403 -2.302 17.960 1.00 0.00 H new ATOM 1264 N GLN A 76 1.189 -5.963 14.023 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.078 -6.681 13.716 1.00 0.00 C ATOM 1266 C GLN A 76 -1.063 -5.740 13.024 1.00 0.00 C ATOM 1267 O GLN A 76 -0.798 -5.227 11.955 1.00 0.00 O ATOM 1268 CB GLN A 76 -0.701 -7.213 15.010 1.00 0.00 C ATOM 1269 CG GLN A 76 0.218 -8.263 15.620 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.416 -8.796 16.905 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.522 -8.427 17.246 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.237 -9.655 17.637 1.00 0.00 N ATOM 0 H GLN A 76 2.030 -6.401 13.647 1.00 0.00 H new ATOM 0 HA GLN A 76 0.144 -7.516 13.051 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.856 -6.396 15.715 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.680 -7.646 14.804 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.379 -9.078 14.914 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.195 -7.829 15.834 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.166 -9.966 17.352 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.181 -10.016 18.495 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.206 -5.529 13.621 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.234 -4.651 13.006 1.00 0.00 C ATOM 1283 C LEU A 77 -2.648 -3.272 12.709 1.00 0.00 C ATOM 1284 O LEU A 77 -2.349 -2.505 13.604 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.404 -4.501 13.979 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.554 -3.731 13.317 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -6.129 -4.537 12.141 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.649 -3.484 14.357 1.00 0.00 C ATOM 0 H LEU A 77 -2.471 -5.934 14.519 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.573 -5.098 12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.751 -5.485 14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.075 -3.976 14.876 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.180 -2.780 12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.944 -3.978 11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.347 -4.712 11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.505 -5.493 12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.472 -2.937 13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.015 -4.439 14.734 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.242 -2.900 15.182 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.499 -2.951 11.450 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.952 -1.617 11.051 1.00 0.00 C ATOM 1302 C ILE A 78 -3.047 -0.809 10.360 1.00 0.00 C ATOM 1303 O ILE A 78 -3.237 0.362 10.628 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.775 -1.833 10.100 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.420 -2.324 10.918 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.410 -0.522 9.393 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.469 -2.890 9.982 1.00 0.00 C ATOM 0 H ILE A 78 -2.736 -3.564 10.670 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.612 -1.069 11.930 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.047 -2.568 9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.840 -1.503 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.100 -3.086 11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.430 -0.693 8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.267 -0.166 8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.133 0.227 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.323 -3.241 10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.045 -3.722 9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.795 -2.114 9.289 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.763 -1.425 9.462 1.00 0.00 N ATOM 1320 CA ALA A 79 -4.839 -0.698 8.740 1.00 0.00 C ATOM 1321 C ALA A 79 -5.890 -1.691 8.254 1.00 0.00 C ATOM 1322 O ALA A 79 -5.606 -2.849 8.016 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.231 0.021 7.535 1.00 0.00 C ATOM 0 H ALA A 79 -3.648 -2.403 9.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.306 0.025 9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.014 0.558 6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.475 0.728 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.771 -0.709 6.870 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.106 -1.238 8.098 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.201 -2.129 7.616 1.00 0.00 C ATOM 1331 C ILE A 80 -8.978 -1.389 6.528 1.00 0.00 C ATOM 1332 O ILE A 80 -9.004 -0.175 6.498 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.133 -2.467 8.787 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -9.878 -1.205 9.247 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -8.311 -3.023 9.957 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -10.658 -1.502 10.532 1.00 0.00 C ATOM 0 H ILE A 80 -7.390 -0.277 8.287 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.790 -3.055 7.214 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.856 -3.214 8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.169 -0.396 9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.560 -0.869 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.975 -3.262 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.789 -3.925 9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.584 -2.277 10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.185 -0.604 10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.379 -2.298 10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.966 -1.816 11.313 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.611 -2.094 5.635 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.376 -1.396 4.565 1.00 0.00 C ATOM 1350 C GLY A 81 -11.085 -2.419 3.686 1.00 0.00 C ATOM 1351 O GLY A 81 -10.929 -3.613 3.853 1.00 0.00 O ATOM 0 H GLY A 81 -9.633 -3.113 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.104 -0.718 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.702 -0.789 3.961 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.868 -1.962 2.745 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.590 -2.910 1.851 1.00 0.00 C ATOM 1357 C PHE A 82 -12.802 -2.273 0.481 1.00 0.00 C ATOM 1358 O PHE A 82 -12.854 -1.065 0.345 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.945 -3.267 2.471 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.789 -2.021 2.599 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -14.713 -1.241 3.758 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.652 -1.648 1.559 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.498 -0.088 3.880 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.436 -0.495 1.681 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.359 0.285 2.841 1.00 0.00 C ATOM 0 H PHE A 82 -12.038 -0.974 2.558 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.996 -3.816 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.457 -4.003 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.799 -3.722 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.048 -1.528 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.712 -2.250 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.439 0.513 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.101 -0.207 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.964 1.175 2.934 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.923 -3.087 -0.538 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.133 -2.560 -1.920 1.00 0.00 C ATOM 1377 C ILE A 83 -14.589 -2.766 -2.326 1.00 0.00 C ATOM 1378 O ILE A 83 -15.098 -3.871 -2.330 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.197 -3.293 -2.883 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.749 -3.006 -2.474 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.438 -2.807 -4.315 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.799 -3.927 -3.237 1.00 0.00 C ATOM 0 H ILE A 83 -12.885 -4.104 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.910 -1.494 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.389 -4.365 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.503 -1.964 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.629 -3.155 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.768 -3.333 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.472 -3.006 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.246 -1.736 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.772 -3.716 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.037 -4.966 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.909 -3.757 -4.308 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.271 -1.696 -2.646 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.708 -1.796 -3.033 1.00 0.00 C ATOM 1396 C ASP A 84 -16.849 -1.862 -4.556 1.00 0.00 C ATOM 1397 O ASP A 84 -15.976 -1.447 -5.292 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.454 -0.566 -2.512 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.955 -0.745 -2.748 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.373 -1.876 -2.939 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.660 0.250 -2.734 1.00 0.00 O ATOM 0 H ASP A 84 -14.889 -0.750 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.129 -2.704 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.255 -0.430 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.099 0.331 -3.020 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.951 -2.379 -5.027 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.173 -2.478 -6.496 1.00 0.00 C ATOM 1408 C GLU A 85 -16.944 -3.102 -7.161 1.00 0.00 C ATOM 1409 O GLU A 85 -16.761 -3.016 -8.357 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.411 -1.079 -7.072 1.00 0.00 C ATOM 1411 CG GLU A 85 -19.683 -0.478 -6.464 1.00 0.00 C ATOM 1412 CD GLU A 85 -20.900 -1.311 -6.878 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -20.791 -2.040 -7.849 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.917 -1.204 -6.214 1.00 0.00 O ATOM 0 H GLU A 85 -18.712 -2.740 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 85 -19.044 -3.104 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.556 -0.437 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -18.506 -1.133 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.601 -0.453 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.805 0.552 -6.798 1.00 0.00 H new ATOM 1421 N ASN A 86 -16.103 -3.736 -6.390 1.00 0.00 N ATOM 1422 CA ASN A 86 -14.887 -4.378 -6.970 1.00 0.00 C ATOM 1423 C ASN A 86 -14.046 -3.326 -7.702 1.00 0.00 C ATOM 1424 O ASN A 86 -13.458 -3.594 -8.733 1.00 0.00 O ATOM 1425 CB ASN A 86 -15.314 -5.474 -7.950 1.00 0.00 C ATOM 1426 CG ASN A 86 -14.126 -6.388 -8.252 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -13.705 -6.504 -9.386 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -13.561 -7.048 -7.277 1.00 0.00 N ATOM 0 H ASN A 86 -16.205 -3.838 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.290 -4.817 -6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.133 -6.055 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.684 -5.026 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.767 -7.660 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.913 -6.952 -6.325 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.979 -2.133 -7.176 1.00 0.00 N ATOM 1436 CA HIS A 87 -13.168 -1.068 -7.834 1.00 0.00 C ATOM 1437 C HIS A 87 -12.865 0.041 -6.826 1.00 0.00 C ATOM 1438 O HIS A 87 -11.722 0.341 -6.536 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.948 -0.474 -9.012 1.00 0.00 C ATOM 1440 CG HIS A 87 -13.157 0.659 -9.612 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -12.040 0.444 -10.402 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -13.308 2.023 -9.539 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -11.565 1.649 -10.769 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -12.301 2.646 -10.270 1.00 0.00 N ATOM 0 H HIS A 87 -14.452 -1.849 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.236 -1.503 -8.196 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.134 -1.241 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.921 -0.115 -8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -14.090 2.534 -8.997 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.694 1.792 -11.392 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.156 3.648 -10.397 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.885 0.657 -6.298 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.671 1.755 -5.315 1.00 0.00 C ATOM 1454 C ASP A 88 -13.029 1.201 -4.044 1.00 0.00 C ATOM 1455 O ASP A 88 -13.514 0.256 -3.451 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.020 2.382 -4.965 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.813 3.490 -3.932 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.670 3.847 -3.697 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.799 3.958 -3.390 1.00 0.00 O ATOM 0 H ASP A 88 -14.861 0.447 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.011 2.505 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.488 2.789 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.695 1.623 -4.570 1.00 0.00 H new ATOM 1464 N MET A 89 -11.941 1.794 -3.612 1.00 0.00 N ATOM 1465 CA MET A 89 -11.258 1.321 -2.369 1.00 0.00 C ATOM 1466 C MET A 89 -11.603 2.268 -1.219 1.00 0.00 C ATOM 1467 O MET A 89 -11.155 3.397 -1.177 1.00 0.00 O ATOM 1468 CB MET A 89 -9.744 1.308 -2.591 1.00 0.00 C ATOM 1469 CG MET A 89 -9.065 0.586 -1.424 1.00 0.00 C ATOM 1470 SD MET A 89 -7.294 0.424 -1.763 1.00 0.00 S ATOM 1471 CE MET A 89 -7.358 -1.216 -2.525 1.00 0.00 C ATOM 0 H MET A 89 -11.496 2.589 -4.070 1.00 0.00 H new ATOM 0 HA MET A 89 -11.592 0.313 -2.125 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.507 0.807 -3.530 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.368 2.328 -2.670 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.220 1.142 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.511 -0.399 -1.283 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.526 -1.327 -3.221 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.288 -1.980 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.299 -1.331 -3.063 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.404 1.814 -0.286 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.796 2.675 0.876 1.00 0.00 C ATOM 1483 C ASP A 90 -12.051 2.217 2.130 1.00 0.00 C ATOM 1484 O ASP A 90 -11.899 1.036 2.374 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.304 2.555 1.106 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.052 3.228 -0.046 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.418 3.958 -0.791 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.244 3.003 -0.165 1.00 0.00 O ATOM 0 H ASP A 90 -12.807 0.877 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.538 3.713 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.590 1.505 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.576 3.022 2.052 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.588 3.149 2.929 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.848 2.793 4.181 1.00 0.00 C ATOM 1495 C PHE A 91 -11.670 3.225 5.392 1.00 0.00 C ATOM 1496 O PHE A 91 -12.232 4.301 5.427 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.496 3.509 4.188 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.575 2.814 3.218 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.816 1.718 3.643 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.492 3.253 1.892 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -6.975 1.059 2.742 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.648 2.596 0.991 1.00 0.00 C ATOM 1503 CZ PHE A 91 -6.890 1.497 1.415 1.00 0.00 C ATOM 0 H PHE A 91 -11.692 4.150 2.765 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.686 1.716 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.621 4.555 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.068 3.497 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.880 1.381 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.079 4.098 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.391 0.212 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.581 2.936 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.240 0.988 0.719 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.754 2.380 6.386 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.550 2.719 7.602 1.00 0.00 C ATOM 1515 C LEU A 92 -11.618 3.249 8.695 1.00 0.00 C ATOM 1516 O LEU A 92 -11.690 4.401 9.080 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.256 1.448 8.097 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.463 1.816 8.965 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.167 0.534 9.409 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.007 2.610 10.198 1.00 0.00 C ATOM 0 H LEU A 92 -11.303 1.465 6.408 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.288 3.485 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.580 0.849 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.559 0.837 8.671 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.149 2.434 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.028 0.787 10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.501 -0.020 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.475 -0.081 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.874 2.866 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.317 2.005 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.506 3.524 9.878 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.755 2.406 9.204 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.810 2.825 10.288 1.00 0.00 C ATOM 1534 C TYR A 93 -8.372 2.670 9.802 1.00 0.00 C ATOM 1535 O TYR A 93 -7.965 1.610 9.366 1.00 0.00 O ATOM 1536 CB TYR A 93 -10.035 1.927 11.504 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.053 2.286 12.595 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.160 3.516 13.254 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -8.040 1.387 12.954 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.256 3.847 14.269 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.136 1.719 13.968 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.243 2.949 14.626 1.00 0.00 C ATOM 1543 OH TYR A 93 -6.352 3.277 15.627 1.00 0.00 O ATOM 0 H TYR A 93 -10.663 1.433 8.912 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.987 3.867 10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.056 2.042 11.869 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.913 0.881 11.222 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.941 4.210 12.979 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.957 0.437 12.447 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.340 4.796 14.778 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.355 1.026 14.243 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.714 2.543 15.750 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.598 3.725 9.881 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.169 3.674 9.436 1.00 0.00 C ATOM 1555 C LEU A 94 -5.251 3.984 10.620 1.00 0.00 C ATOM 1556 O LEU A 94 -5.357 5.023 11.242 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.960 4.715 8.326 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.472 4.825 7.957 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.910 3.443 7.606 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.332 5.752 6.744 1.00 0.00 C ATOM 0 H LEU A 94 -7.899 4.631 10.240 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.932 2.680 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.538 4.436 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.331 5.685 8.656 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.917 5.226 8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.855 3.534 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.016 2.778 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.458 3.032 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.280 5.839 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.891 5.339 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.725 6.738 6.992 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.344 3.089 10.922 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.388 3.309 12.052 1.00 0.00 C ATOM 1574 C HIS A 95 -1.968 3.104 11.530 1.00 0.00 C ATOM 1575 O HIS A 95 -1.538 1.995 11.284 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.683 2.312 13.177 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.679 2.477 14.289 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.548 3.270 14.158 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.619 1.949 15.555 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.862 3.195 15.314 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.471 2.401 16.200 1.00 0.00 N ATOM 0 H HIS A 95 -4.223 2.205 10.428 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.495 4.320 12.445 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.691 2.471 13.560 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.646 1.294 12.790 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.352 1.283 15.986 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.067 3.713 15.502 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.161 2.175 17.145 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.241 4.173 11.342 1.00 0.00 N ATOM 1590 CA ASN A 96 0.144 4.050 10.816 1.00 0.00 C ATOM 1591 C ASN A 96 1.097 3.639 11.934 1.00 0.00 C ATOM 1592 O ASN A 96 0.730 3.562 13.090 1.00 0.00 O ATOM 1593 CB ASN A 96 0.593 5.393 10.234 1.00 0.00 C ATOM 1594 CG ASN A 96 -0.295 5.760 9.044 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.445 6.920 8.719 1.00 0.00 O ATOM 1596 ND2 ASN A 96 -0.898 4.814 8.374 1.00 0.00 N ATOM 0 H ASN A 96 -1.550 5.127 11.531 1.00 0.00 H new ATOM 0 HA ASN A 96 0.159 3.288 10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.535 6.169 10.997 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.635 5.334 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.493 5.051 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.774 3.839 8.645 1.00 0.00 H new ATOM 1603 N THR A 97 2.323 3.365 11.585 1.00 0.00 N ATOM 1604 CA THR A 97 3.325 2.942 12.601 1.00 0.00 C ATOM 1605 C THR A 97 3.607 4.089 13.579 1.00 0.00 C ATOM 1606 O THR A 97 3.880 3.866 14.743 1.00 0.00 O ATOM 1607 CB THR A 97 4.622 2.545 11.886 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.052 3.615 11.057 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.374 1.302 11.027 1.00 0.00 C ATOM 0 H THR A 97 2.676 3.417 10.630 1.00 0.00 H new ATOM 0 HA THR A 97 2.934 2.093 13.162 1.00 0.00 H new ATOM 0 HB THR A 97 5.391 2.326 12.626 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.882 3.362 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.297 1.021 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.045 0.480 11.663 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.604 1.519 10.287 1.00 0.00 H new ATOM 1617 N VAL A 98 3.562 5.316 13.120 1.00 0.00 N ATOM 1618 CA VAL A 98 3.848 6.469 14.034 1.00 0.00 C ATOM 1619 C VAL A 98 2.553 7.000 14.661 1.00 0.00 C ATOM 1620 O VAL A 98 2.443 7.103 15.869 1.00 0.00 O ATOM 1621 CB VAL A 98 4.532 7.586 13.239 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.761 8.805 14.142 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.882 7.079 12.726 1.00 0.00 C ATOM 0 H VAL A 98 3.341 5.570 12.157 1.00 0.00 H new ATOM 0 HA VAL A 98 4.504 6.128 14.835 1.00 0.00 H new ATOM 0 HB VAL A 98 3.897 7.874 12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.248 9.595 13.570 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.803 9.166 14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.395 8.522 14.982 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.375 7.868 12.159 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.508 6.793 13.571 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.725 6.214 12.082 1.00 0.00 H new ATOM 1633 N MET A 99 1.575 7.346 13.866 1.00 0.00 N ATOM 1634 CA MET A 99 0.303 7.877 14.446 1.00 0.00 C ATOM 1635 C MET A 99 -0.842 7.714 13.432 1.00 0.00 C ATOM 1636 O MET A 99 -0.628 7.796 12.239 1.00 0.00 O ATOM 1637 CB MET A 99 0.477 9.363 14.775 1.00 0.00 C ATOM 1638 CG MET A 99 0.922 10.123 13.521 1.00 0.00 C ATOM 1639 SD MET A 99 1.155 11.871 13.927 1.00 0.00 S ATOM 1640 CE MET A 99 0.905 12.530 12.259 1.00 0.00 C ATOM 0 H MET A 99 1.599 7.285 12.848 1.00 0.00 H new ATOM 0 HA MET A 99 0.063 7.322 15.353 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.461 9.775 15.147 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.216 9.486 15.567 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.851 9.701 13.137 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.175 10.018 12.734 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.006 13.615 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.650 12.107 11.585 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.092 12.265 11.909 1.00 0.00 H new ATOM 1650 N PRO A 100 -2.053 7.490 13.895 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.235 7.320 12.996 1.00 0.00 C ATOM 1652 C PRO A 100 -3.611 8.614 12.267 1.00 0.00 C ATOM 1653 O PRO A 100 -3.436 9.703 12.779 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.359 6.864 13.945 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.963 7.375 15.294 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.432 7.377 15.315 1.00 0.00 C ATOM 0 HA PRO A 100 -3.036 6.606 12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.323 7.269 13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.456 5.778 13.948 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.356 8.378 15.462 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.363 6.739 16.084 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.042 8.211 15.899 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.038 6.464 15.761 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.123 8.493 11.066 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.516 9.701 10.275 1.00 0.00 C ATOM 1666 C LEU A 101 -6.045 9.815 10.215 1.00 0.00 C ATOM 1667 O LEU A 101 -6.599 10.880 10.405 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.963 9.568 8.853 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.451 9.319 8.909 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.909 9.184 7.483 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.750 10.486 9.623 1.00 0.00 C ATOM 0 H LEU A 101 -4.287 7.602 10.597 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.110 10.593 10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.458 8.746 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.171 10.475 8.285 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.257 8.401 9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.834 9.007 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.399 8.347 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.108 10.102 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.677 10.299 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.940 11.412 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.136 10.575 10.639 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.727 8.727 9.939 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.224 8.759 9.850 1.00 0.00 C ATOM 1685 C LEU A 102 -8.824 7.749 10.827 1.00 0.00 C ATOM 1686 O LEU A 102 -8.312 6.662 11.008 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.656 8.393 8.429 1.00 0.00 C ATOM 1688 CG LEU A 102 -8.033 9.371 7.427 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.423 8.952 6.007 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.536 10.800 7.702 1.00 0.00 C ATOM 0 H LEU A 102 -6.308 7.812 9.770 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.575 9.760 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.347 7.374 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.743 8.422 8.351 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.948 9.353 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.983 9.644 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.056 7.944 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.508 8.969 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.088 11.488 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.621 10.829 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.256 11.096 8.713 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.913 8.104 11.455 1.00 0.00 N ATOM 1703 CA ASP A 103 -10.561 7.176 12.420 1.00 0.00 C ATOM 1704 C ASP A 103 -11.951 7.704 12.783 1.00 0.00 C ATOM 1705 O ASP A 103 -12.083 8.728 13.423 1.00 0.00 O ATOM 1706 CB ASP A 103 -9.702 7.079 13.681 1.00 0.00 C ATOM 1707 CG ASP A 103 -9.515 8.474 14.283 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -9.851 9.437 13.614 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -9.038 8.555 15.403 1.00 0.00 O ATOM 0 H ASP A 103 -10.382 9.002 11.339 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.658 6.188 11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.177 6.419 14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.733 6.643 13.440 1.00 0.00 H new ATOM 1714 N GLN A 104 -12.990 7.013 12.379 1.00 0.00 N ATOM 1715 CA GLN A 104 -14.379 7.471 12.698 1.00 0.00 C ATOM 1716 C GLN A 104 -14.985 6.560 13.767 1.00 0.00 C ATOM 1717 O GLN A 104 -15.204 5.383 13.552 1.00 0.00 O ATOM 1718 CB GLN A 104 -15.233 7.419 11.431 1.00 0.00 C ATOM 1719 CG GLN A 104 -14.749 8.486 10.445 1.00 0.00 C ATOM 1720 CD GLN A 104 -15.565 8.401 9.155 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -16.475 7.604 9.050 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -15.279 9.198 8.161 1.00 0.00 N ATOM 0 H GLN A 104 -12.935 6.149 11.840 1.00 0.00 H new ATOM 0 HA GLN A 104 -14.350 8.494 13.073 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -15.167 6.431 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -16.281 7.586 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -14.851 9.477 10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -13.691 8.341 10.228 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.515 9.868 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.820 9.151 7.297 1.00 0.00 H new ATOM 1731 N ARG A 105 -15.260 7.107 14.918 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.852 6.299 16.021 1.00 0.00 C ATOM 1733 C ARG A 105 -17.260 5.843 15.631 1.00 0.00 C ATOM 1734 O ARG A 105 -17.691 4.759 15.975 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.926 7.153 17.288 1.00 0.00 C ATOM 1736 CG ARG A 105 -14.510 7.422 17.799 1.00 0.00 C ATOM 1737 CD ARG A 105 -14.578 8.306 19.045 1.00 0.00 C ATOM 1738 NE ARG A 105 -13.196 8.619 19.512 1.00 0.00 N ATOM 1739 CZ ARG A 105 -12.566 7.803 20.316 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.136 6.695 20.705 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -11.364 8.094 20.728 1.00 0.00 N ATOM 0 H ARG A 105 -15.098 8.088 15.144 1.00 0.00 H new ATOM 0 HA ARG A 105 -15.229 5.423 16.203 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.434 8.094 17.077 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -16.510 6.640 18.053 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -14.012 6.481 18.034 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.919 7.911 17.025 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -15.114 9.228 18.820 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -15.133 7.798 19.834 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.739 9.476 19.202 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.075 6.464 20.382 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.642 6.060 21.332 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.916 8.958 20.423 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.872 7.458 21.355 1.00 0.00 H new ATOM 1755 N TYR A 106 -17.984 6.669 14.929 1.00 0.00 N ATOM 1756 CA TYR A 106 -19.373 6.299 14.531 1.00 0.00 C ATOM 1757 C TYR A 106 -19.356 4.978 13.758 1.00 0.00 C ATOM 1758 O TYR A 106 -20.122 4.074 14.032 1.00 0.00 O ATOM 1759 CB TYR A 106 -19.936 7.393 13.624 1.00 0.00 C ATOM 1760 CG TYR A 106 -19.878 8.725 14.331 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -20.912 9.108 15.191 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -18.786 9.577 14.123 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -20.857 10.346 15.843 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -18.731 10.815 14.776 1.00 0.00 C ATOM 1765 CZ TYR A 106 -19.766 11.198 15.636 1.00 0.00 C ATOM 1766 OH TYR A 106 -19.714 12.419 16.277 1.00 0.00 O ATOM 0 H TYR A 106 -17.674 7.588 14.612 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.989 6.191 15.424 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.365 7.438 12.697 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.966 7.159 13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.753 8.449 15.352 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -17.987 9.280 13.460 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.656 10.643 16.506 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -17.890 11.474 14.616 1.00 0.00 H new ATOM 0 HH TYR A 106 -18.890 12.886 16.025 1.00 0.00 H new ATOM 1776 N LEU A 107 -18.492 4.865 12.792 1.00 0.00 N ATOM 1777 CA LEU A 107 -18.419 3.612 11.987 1.00 0.00 C ATOM 1778 C LEU A 107 -17.983 2.438 12.873 1.00 0.00 C ATOM 1779 O LEU A 107 -18.480 1.335 12.740 1.00 0.00 O ATOM 1780 CB LEU A 107 -17.412 3.811 10.845 1.00 0.00 C ATOM 1781 CG LEU A 107 -18.088 4.555 9.687 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -18.724 5.847 10.207 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.046 4.894 8.614 1.00 0.00 C ATOM 0 H LEU A 107 -17.828 5.590 12.522 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.402 3.386 11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.551 4.377 11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.040 2.845 10.502 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.861 3.920 9.254 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.204 6.374 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.469 5.606 10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.953 6.482 10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.529 5.423 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.271 5.526 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.597 3.974 8.240 1.00 0.00 H new ATOM 1795 N LEU A 108 -17.050 2.653 13.760 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.579 1.534 14.631 1.00 0.00 C ATOM 1797 C LEU A 108 -17.527 1.363 15.820 1.00 0.00 C ATOM 1798 O LEU A 108 -17.355 0.479 16.638 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.170 1.843 15.138 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.224 2.056 13.948 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.826 2.416 14.468 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.143 0.773 13.100 1.00 0.00 C ATOM 0 H LEU A 108 -16.594 3.551 13.920 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.564 0.610 14.052 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.187 2.734 15.765 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.809 1.023 15.759 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.606 2.867 13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.152 2.568 13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.882 3.331 15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.450 1.605 15.092 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.469 0.935 12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.767 -0.046 13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.135 0.520 12.727 1.00 0.00 H new