USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 978 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 93 TYR OH : rot 165:sc= -0.0252 USER MOD Set 1.2: A 95 HIS : no HD1:sc= -5.25! C(o=-5.3!,f=-8.5!) USER MOD Set 2.1: A 58 SER OG : rot -173:sc= 0.68 USER MOD Set 2.2: A 60 THR OG1 : rot -22:sc= -0.197 USER MOD Set 3.1: A 54 ASN : amide:sc= -4.55! C(o=-5.2!,f=-9.2!) USER MOD Set 3.2: A 56 TYR OH : rot 124:sc= -0.611 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.221 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.504 (180deg=-0.576) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.754) USER MOD Single : A 9 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.29) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -83:sc= -0.628 USER MOD Single : A 13 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -74:sc= 0.472 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 47 SER OG : rot 137:sc= 0.495 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0309 F(o=-1.3!,f=-0.031) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 157:sc= 0.922 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0182 (180deg=-0.395) USER MOD Single : A 64 SER OG : rot 82:sc= 0.0341 USER MOD Single : A 65 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.47) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.17) 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=-1.4) USER MOD Single : A 86 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.4) USER MOD Single : A 87 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-3.8!) USER MOD Single : A 89 MET CE :methyl -153:sc= -0.209 (180deg=-1.18) USER MOD Single : A 96 ASN : amide:sc= -0.59 K(o=-0.59,f=-4.5!) 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= 0 K(o=0,f=-0.61) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -72:sc= 0.0834 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-1.1e-06) USER MOD Single : A 115 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.6) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 117 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-1.4) USER MOD Single : A 118 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3.5!) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.592 -7.973 21.905 1.00 0.00 N ATOM 2 CA MET A 1 -14.011 -6.622 21.674 1.00 0.00 C ATOM 3 C MET A 1 -12.939 -6.731 20.582 1.00 0.00 C ATOM 4 O MET A 1 -12.130 -5.843 20.394 1.00 0.00 O ATOM 5 CB MET A 1 -13.394 -6.103 22.983 1.00 0.00 C ATOM 6 CG MET A 1 -14.512 -5.758 23.978 1.00 0.00 C ATOM 7 SD MET A 1 -13.782 -5.216 25.545 1.00 0.00 S ATOM 8 CE MET A 1 -13.017 -3.694 24.934 1.00 0.00 C ATOM 0 H1 MET A 1 -15.310 -7.919 22.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.034 -8.316 21.028 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.839 -8.630 22.193 1.00 0.00 H new ATOM 0 HA MET A 1 -14.784 -5.924 21.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.734 -6.858 23.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.785 -5.221 22.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.147 -4.972 23.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.148 -6.628 24.143 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.915 -2.983 25.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.032 -3.920 24.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.642 -3.260 24.154 1.00 0.00 H new ATOM 20 N THR A 2 -12.936 -7.834 19.867 1.00 0.00 N ATOM 21 CA THR A 2 -11.926 -8.061 18.781 1.00 0.00 C ATOM 22 C THR A 2 -12.153 -7.095 17.613 1.00 0.00 C ATOM 23 O THR A 2 -13.262 -6.876 17.166 1.00 0.00 O ATOM 24 CB THR A 2 -12.031 -9.508 18.273 1.00 0.00 C ATOM 25 OG1 THR A 2 -11.976 -10.405 19.378 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.865 -9.798 17.325 1.00 0.00 C ATOM 0 H THR A 2 -13.601 -8.597 19.992 1.00 0.00 H new ATOM 0 HA THR A 2 -10.933 -7.883 19.193 1.00 0.00 H new ATOM 0 HB THR A 2 -12.975 -9.641 17.744 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.045 -11.327 19.054 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.937 -10.824 16.963 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.904 -9.111 16.479 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.923 -9.666 17.856 1.00 0.00 H new ATOM 34 N LEU A 3 -11.084 -6.523 17.121 1.00 0.00 N ATOM 35 CA LEU A 3 -11.165 -5.561 15.981 1.00 0.00 C ATOM 36 C LEU A 3 -11.691 -6.274 14.733 1.00 0.00 C ATOM 37 O LEU A 3 -12.486 -5.733 13.988 1.00 0.00 O ATOM 38 CB LEU A 3 -9.760 -5.001 15.689 1.00 0.00 C ATOM 39 CG LEU A 3 -9.302 -4.094 16.845 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.814 -3.752 16.676 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.125 -2.791 16.857 1.00 0.00 C ATOM 0 H LEU A 3 -10.139 -6.686 17.469 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.843 -4.749 16.244 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.053 -5.820 15.557 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.771 -4.437 14.756 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.453 -4.622 17.786 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.493 -3.110 17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.227 -4.670 16.683 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.665 -3.233 15.729 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.792 -2.158 17.679 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.985 -2.264 15.913 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.181 -3.029 16.987 1.00 0.00 H new ATOM 53 N GLU A 4 -11.239 -7.478 14.498 1.00 0.00 N ATOM 54 CA GLU A 4 -11.684 -8.243 13.296 1.00 0.00 C ATOM 55 C GLU A 4 -13.178 -8.548 13.402 1.00 0.00 C ATOM 56 O GLU A 4 -13.897 -8.514 12.422 1.00 0.00 O ATOM 57 CB GLU A 4 -10.900 -9.560 13.221 1.00 0.00 C ATOM 58 CG GLU A 4 -11.306 -10.321 11.956 1.00 0.00 C ATOM 59 CD GLU A 4 -10.467 -11.594 11.819 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.793 -11.945 12.773 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.513 -12.196 10.758 1.00 0.00 O ATOM 0 H GLU A 4 -10.573 -7.969 15.095 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.501 -7.651 12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.829 -9.358 13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.101 -10.167 14.104 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.365 -10.576 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.166 -9.688 11.080 1.00 0.00 H new ATOM 68 N LEU A 5 -13.645 -8.854 14.581 1.00 0.00 N ATOM 69 CA LEU A 5 -15.088 -9.168 14.759 1.00 0.00 C ATOM 70 C LEU A 5 -15.927 -7.940 14.427 1.00 0.00 C ATOM 71 O LEU A 5 -16.956 -8.035 13.784 1.00 0.00 O ATOM 72 CB LEU A 5 -15.348 -9.581 16.211 1.00 0.00 C ATOM 73 CG LEU A 5 -16.868 -9.802 16.425 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.096 -11.078 17.241 1.00 0.00 C ATOM 75 CD2 LEU A 5 -17.471 -8.605 17.176 1.00 0.00 C ATOM 0 H LEU A 5 -13.085 -8.900 15.432 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.361 -9.985 14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.801 -10.495 16.443 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.983 -8.810 16.890 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.351 -9.899 15.453 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.165 -11.229 17.389 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.679 -11.931 16.706 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.606 -10.983 18.210 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.539 -8.768 17.322 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.984 -8.501 18.145 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.319 -7.696 16.594 1.00 0.00 H new ATOM 87 N GLN A 6 -15.499 -6.789 14.867 1.00 0.00 N ATOM 88 CA GLN A 6 -16.265 -5.543 14.587 1.00 0.00 C ATOM 89 C GLN A 6 -16.257 -5.295 13.083 1.00 0.00 C ATOM 90 O GLN A 6 -17.225 -4.835 12.513 1.00 0.00 O ATOM 91 CB GLN A 6 -15.601 -4.354 15.303 1.00 0.00 C ATOM 92 CG GLN A 6 -15.778 -4.506 16.818 1.00 0.00 C ATOM 93 CD GLN A 6 -15.070 -3.361 17.551 1.00 0.00 C ATOM 94 OE1 GLN A 6 -13.866 -3.221 17.473 1.00 0.00 O ATOM 95 NE2 GLN A 6 -15.776 -2.533 18.276 1.00 0.00 N ATOM 0 H GLN A 6 -14.647 -6.658 15.412 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.289 -5.649 14.946 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.541 -4.311 15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.047 -3.418 14.966 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.839 -4.508 17.069 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.372 -5.463 17.145 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.787 -2.649 18.343 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.316 -1.772 18.775 1.00 0.00 H new ATOM 104 N LEU A 7 -15.157 -5.589 12.443 1.00 0.00 N ATOM 105 CA LEU A 7 -15.056 -5.369 10.976 1.00 0.00 C ATOM 106 C LEU A 7 -16.072 -6.251 10.254 1.00 0.00 C ATOM 107 O LEU A 7 -16.739 -5.816 9.334 1.00 0.00 O ATOM 108 CB LEU A 7 -13.640 -5.738 10.505 1.00 0.00 C ATOM 109 CG LEU A 7 -13.522 -5.518 8.988 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.763 -4.036 8.657 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.125 -5.931 8.517 1.00 0.00 C ATOM 0 H LEU A 7 -14.320 -5.975 12.879 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.260 -4.322 10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.903 -5.129 11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.425 -6.779 10.749 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.270 -6.125 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.678 -3.885 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.761 -3.747 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.021 -3.424 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.043 -5.775 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.375 -5.328 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.961 -6.984 8.744 1.00 0.00 H new ATOM 123 N LYS A 8 -16.181 -7.487 10.654 1.00 0.00 N ATOM 124 CA LYS A 8 -17.142 -8.415 9.993 1.00 0.00 C ATOM 125 C LYS A 8 -18.563 -7.930 10.251 1.00 0.00 C ATOM 126 O LYS A 8 -19.390 -7.890 9.360 1.00 0.00 O ATOM 127 CB LYS A 8 -16.978 -9.824 10.575 1.00 0.00 C ATOM 128 CG LYS A 8 -17.885 -10.796 9.816 1.00 0.00 C ATOM 129 CD LYS A 8 -17.694 -12.216 10.359 1.00 0.00 C ATOM 130 CE LYS A 8 -18.598 -13.189 9.595 1.00 0.00 C ATOM 131 NZ LYS A 8 -17.986 -13.511 8.274 1.00 0.00 N ATOM 0 H LYS A 8 -15.642 -7.898 11.416 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.946 -8.439 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.939 -10.143 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.233 -9.824 11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.927 -10.493 9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.652 -10.769 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.651 -12.517 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.931 -12.244 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.738 -14.102 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.585 -12.748 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.497 -14.305 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.044 -12.679 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.989 -13.773 8.408 1.00 0.00 H new ATOM 145 N HIS A 9 -18.846 -7.571 11.472 1.00 0.00 N ATOM 146 CA HIS A 9 -20.210 -7.092 11.829 1.00 0.00 C ATOM 147 C HIS A 9 -20.480 -5.761 11.133 1.00 0.00 C ATOM 148 O HIS A 9 -21.573 -5.504 10.667 1.00 0.00 O ATOM 149 CB HIS A 9 -20.302 -6.906 13.349 1.00 0.00 C ATOM 150 CG HIS A 9 -20.298 -8.254 14.018 1.00 0.00 C ATOM 151 ND1 HIS A 9 -20.416 -8.401 15.392 1.00 0.00 N ATOM 152 CD2 HIS A 9 -20.180 -9.527 13.515 1.00 0.00 C ATOM 153 CE1 HIS A 9 -20.367 -9.719 15.665 1.00 0.00 C ATOM 154 NE2 HIS A 9 -20.224 -10.449 14.555 1.00 0.00 N ATOM 0 H HIS A 9 -18.182 -7.589 12.246 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.950 -7.824 11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.463 -6.309 13.705 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.212 -6.363 13.606 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.070 -9.774 12.470 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.435 -10.135 16.659 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -20.161 -11.465 14.485 1.00 0.00 H new ATOM 162 N TYR A 10 -19.492 -4.910 11.073 1.00 0.00 N ATOM 163 CA TYR A 10 -19.673 -3.582 10.417 1.00 0.00 C ATOM 164 C TYR A 10 -20.005 -3.777 8.938 1.00 0.00 C ATOM 165 O TYR A 10 -20.916 -3.166 8.411 1.00 0.00 O ATOM 166 CB TYR A 10 -18.374 -2.774 10.538 1.00 0.00 C ATOM 167 CG TYR A 10 -18.519 -1.472 9.787 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.090 -0.359 10.417 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.086 -1.377 8.458 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.226 0.847 9.719 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.224 -0.173 7.760 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.794 0.940 8.391 1.00 0.00 C ATOM 173 OH TYR A 10 -18.927 2.130 7.704 1.00 0.00 O ATOM 0 H TYR A 10 -18.560 -5.078 11.453 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.489 -3.048 10.905 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.151 -2.578 11.587 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.538 -3.347 10.136 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.425 -0.431 11.441 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.645 -2.235 7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.664 1.706 10.205 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.891 -0.101 6.735 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.577 2.024 6.795 1.00 0.00 H new ATOM 183 N ILE A 11 -19.256 -4.612 8.268 1.00 0.00 N ATOM 184 CA ILE A 11 -19.493 -4.855 6.813 1.00 0.00 C ATOM 185 C ILE A 11 -20.859 -5.510 6.608 1.00 0.00 C ATOM 186 O ILE A 11 -21.596 -5.157 5.707 1.00 0.00 O ATOM 187 CB ILE A 11 -18.406 -5.797 6.272 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.046 -5.089 6.285 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.758 -6.206 4.837 1.00 0.00 C ATOM 190 CD1 ILE A 11 -15.933 -6.104 6.000 1.00 0.00 C ATOM 0 H ILE A 11 -18.482 -5.142 8.670 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.463 -3.902 6.284 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.351 -6.684 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.030 -4.297 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.881 -4.616 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.989 -6.874 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.720 -6.718 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.815 -5.317 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.968 -5.598 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.944 -6.880 6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.095 -6.557 5.022 1.00 0.00 H new ATOM 202 N THR A 12 -21.183 -6.481 7.424 1.00 0.00 N ATOM 203 CA THR A 12 -22.488 -7.194 7.285 1.00 0.00 C ATOM 204 C THR A 12 -23.628 -6.227 7.592 1.00 0.00 C ATOM 205 O THR A 12 -24.640 -6.211 6.919 1.00 0.00 O ATOM 206 CB THR A 12 -22.540 -8.366 8.277 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.229 -7.897 9.582 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.528 -9.440 7.865 1.00 0.00 C ATOM 0 H THR A 12 -20.593 -6.813 8.187 1.00 0.00 H new ATOM 0 HA THR A 12 -22.589 -7.571 6.267 1.00 0.00 H new ATOM 0 HB THR A 12 -23.542 -8.796 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.256 -7.849 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.569 -10.269 8.572 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.769 -9.803 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.525 -9.013 7.864 1.00 0.00 H new ATOM 216 N ASN A 13 -23.465 -5.419 8.606 1.00 0.00 N ATOM 217 CA ASN A 13 -24.521 -4.437 8.973 1.00 0.00 C ATOM 218 C ASN A 13 -24.657 -3.413 7.846 1.00 0.00 C ATOM 219 O ASN A 13 -25.736 -2.934 7.553 1.00 0.00 O ATOM 220 CB ASN A 13 -24.129 -3.722 10.277 1.00 0.00 C ATOM 221 CG ASN A 13 -24.351 -4.657 11.471 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.094 -5.614 11.378 1.00 0.00 O ATOM 223 ND2 ASN A 13 -23.732 -4.420 12.597 1.00 0.00 N ATOM 0 H ASN A 13 -22.636 -5.399 9.200 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.470 -4.952 9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.084 -3.415 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.723 -2.816 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.873 -5.038 13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.108 -3.617 12.677 1.00 0.00 H new ATOM 230 N LEU A 14 -23.555 -3.048 7.239 1.00 0.00 N ATOM 231 CA LEU A 14 -23.596 -2.028 6.158 1.00 0.00 C ATOM 232 C LEU A 14 -24.459 -2.528 5.000 1.00 0.00 C ATOM 233 O LEU A 14 -25.292 -1.810 4.486 1.00 0.00 O ATOM 234 CB LEU A 14 -22.158 -1.766 5.646 1.00 0.00 C ATOM 235 CG LEU A 14 -22.035 -0.309 5.165 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.144 -0.004 4.142 1.00 0.00 C ATOM 237 CD2 LEU A 14 -22.163 0.649 6.374 1.00 0.00 C ATOM 0 H LEU A 14 -22.628 -3.417 7.450 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.023 -1.106 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.438 -1.958 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.922 -2.449 4.830 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.063 -0.166 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.053 1.028 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.046 -0.675 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.119 -0.149 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.076 1.680 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -23.133 0.506 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.371 0.437 7.092 1.00 0.00 H new ATOM 249 N PHE A 15 -24.256 -3.747 4.579 1.00 0.00 N ATOM 250 CA PHE A 15 -25.056 -4.301 3.441 1.00 0.00 C ATOM 251 C PHE A 15 -26.139 -5.230 3.992 1.00 0.00 C ATOM 252 O PHE A 15 -26.892 -5.825 3.248 1.00 0.00 O ATOM 253 CB PHE A 15 -24.135 -5.075 2.495 1.00 0.00 C ATOM 254 CG PHE A 15 -23.286 -4.098 1.717 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.779 -3.535 0.532 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.010 -3.752 2.178 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.994 -2.628 -0.190 1.00 0.00 C ATOM 258 CE2 PHE A 15 -21.226 -2.845 1.455 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.719 -2.282 0.272 1.00 0.00 C ATOM 0 H PHE A 15 -23.568 -4.388 4.974 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.525 -3.486 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.500 -5.755 3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.726 -5.686 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.764 -3.801 0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.630 -4.185 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.373 -2.195 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.241 -2.580 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 15 -21.115 -1.580 -0.284 1.00 0.00 H new ATOM 269 N ASN A 16 -26.220 -5.342 5.293 1.00 0.00 N ATOM 270 CA ASN A 16 -27.252 -6.214 5.931 1.00 0.00 C ATOM 271 C ASN A 16 -27.098 -7.646 5.432 1.00 0.00 C ATOM 272 O ASN A 16 -28.066 -8.335 5.166 1.00 0.00 O ATOM 273 CB ASN A 16 -28.646 -5.675 5.601 1.00 0.00 C ATOM 274 CG ASN A 16 -29.681 -6.349 6.502 1.00 0.00 C ATOM 275 OD1 ASN A 16 -30.448 -7.176 6.051 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.736 -6.032 7.768 1.00 0.00 N ATOM 0 H ASN A 16 -25.606 -4.859 5.949 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.119 -6.210 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.673 -4.595 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.882 -5.864 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.422 -6.479 8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.093 -5.338 8.148 1.00 0.00 H new ATOM 283 N LEU A 17 -25.873 -8.100 5.314 1.00 0.00 N ATOM 284 CA LEU A 17 -25.619 -9.487 4.837 1.00 0.00 C ATOM 285 C LEU A 17 -25.581 -10.447 6.037 1.00 0.00 C ATOM 286 O LEU A 17 -25.160 -10.079 7.117 1.00 0.00 O ATOM 287 CB LEU A 17 -24.272 -9.545 4.106 1.00 0.00 C ATOM 288 CG LEU A 17 -24.297 -8.596 2.897 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.864 -8.279 2.458 1.00 0.00 C ATOM 290 CD2 LEU A 17 -25.047 -9.252 1.727 1.00 0.00 C ATOM 0 H LEU A 17 -25.035 -7.561 5.531 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.418 -9.781 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.467 -9.264 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.070 -10.564 3.776 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.806 -7.676 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.887 -7.606 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.329 -7.803 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.356 -9.203 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.059 -8.572 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.544 -10.177 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.071 -9.473 2.029 1.00 0.00 H new ATOM 302 N PRO A 18 -26.011 -11.673 5.847 1.00 0.00 N ATOM 303 CA PRO A 18 -26.018 -12.697 6.925 1.00 0.00 C ATOM 304 C PRO A 18 -24.738 -12.683 7.755 1.00 0.00 C ATOM 305 O PRO A 18 -23.640 -12.743 7.236 1.00 0.00 O ATOM 306 CB PRO A 18 -26.155 -14.019 6.162 1.00 0.00 C ATOM 307 CG PRO A 18 -26.885 -13.671 4.903 1.00 0.00 C ATOM 308 CD PRO A 18 -26.545 -12.216 4.584 1.00 0.00 C ATOM 0 HA PRO A 18 -26.818 -12.522 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.178 -14.451 5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.706 -14.756 6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -26.582 -14.327 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.960 -13.798 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.811 -12.147 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.427 -11.665 4.257 1.00 0.00 H new ATOM 316 N ARG A 19 -24.887 -12.605 9.045 1.00 0.00 N ATOM 317 CA ARG A 19 -23.708 -12.588 9.953 1.00 0.00 C ATOM 318 C ARG A 19 -23.374 -14.020 10.360 1.00 0.00 C ATOM 319 O ARG A 19 -22.326 -14.290 10.912 1.00 0.00 O ATOM 320 CB ARG A 19 -24.042 -11.760 11.199 1.00 0.00 C ATOM 321 CG ARG A 19 -24.232 -10.294 10.796 1.00 0.00 C ATOM 322 CD ARG A 19 -24.558 -9.446 12.034 1.00 0.00 C ATOM 323 NE ARG A 19 -25.923 -9.794 12.531 1.00 0.00 N ATOM 324 CZ ARG A 19 -26.414 -9.215 13.600 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.732 -8.296 14.239 1.00 0.00 N ATOM 326 NH2 ARG A 19 -27.600 -9.549 14.024 1.00 0.00 N ATOM 0 H ARG A 19 -25.790 -12.551 9.517 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.852 -12.144 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.948 -12.140 11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.241 -11.847 11.933 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -23.327 -9.920 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -25.037 -10.211 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.819 -9.624 12.815 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -24.509 -8.386 11.785 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.479 -10.489 12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -24.807 -8.023 13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.126 -7.854 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.139 -10.256 13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.989 -9.103 14.855 1.00 0.00 H new ATOM 340 N ASP A 20 -24.269 -14.937 10.091 1.00 0.00 N ATOM 341 CA ASP A 20 -24.033 -16.365 10.459 1.00 0.00 C ATOM 342 C ASP A 20 -23.280 -17.060 9.328 1.00 0.00 C ATOM 343 O ASP A 20 -23.004 -18.243 9.385 1.00 0.00 O ATOM 344 CB ASP A 20 -25.383 -17.060 10.693 1.00 0.00 C ATOM 345 CG ASP A 20 -26.297 -16.879 9.475 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.924 -16.145 8.575 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.362 -17.477 9.469 1.00 0.00 O ATOM 0 H ASP A 20 -25.160 -14.755 9.629 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.439 -16.418 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.224 -18.122 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.863 -16.647 11.580 1.00 0.00 H new ATOM 352 N GLU A 21 -22.932 -16.324 8.303 1.00 0.00 N ATOM 353 CA GLU A 21 -22.176 -16.913 7.152 1.00 0.00 C ATOM 354 C GLU A 21 -20.692 -16.606 7.309 1.00 0.00 C ATOM 355 O GLU A 21 -20.266 -15.467 7.274 1.00 0.00 O ATOM 356 CB GLU A 21 -22.688 -16.313 5.840 1.00 0.00 C ATOM 357 CG GLU A 21 -24.103 -16.826 5.554 1.00 0.00 C ATOM 358 CD GLU A 21 -24.056 -18.330 5.273 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.993 -18.815 4.920 1.00 0.00 O ATOM 360 OE2 GLU A 21 -25.083 -18.972 5.423 1.00 0.00 O ATOM 0 H GLU A 21 -23.141 -15.330 8.212 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.324 -17.993 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.691 -15.225 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.021 -16.582 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.753 -16.625 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -24.526 -16.299 4.699 1.00 0.00 H new ATOM 367 N LYS A 22 -19.909 -17.630 7.491 1.00 0.00 N ATOM 368 CA LYS A 22 -18.441 -17.455 7.668 1.00 0.00 C ATOM 369 C LYS A 22 -17.759 -17.315 6.313 1.00 0.00 C ATOM 370 O LYS A 22 -18.139 -17.933 5.338 1.00 0.00 O ATOM 371 CB LYS A 22 -17.869 -18.669 8.402 1.00 0.00 C ATOM 372 CG LYS A 22 -16.382 -18.435 8.681 1.00 0.00 C ATOM 373 CD LYS A 22 -15.810 -19.620 9.465 1.00 0.00 C ATOM 374 CE LYS A 22 -14.327 -19.374 9.763 1.00 0.00 C ATOM 375 NZ LYS A 22 -13.776 -20.523 10.539 1.00 0.00 N ATOM 0 H LYS A 22 -20.229 -18.598 7.525 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.260 -16.552 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.406 -18.830 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.001 -19.568 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.841 -18.313 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.249 -17.514 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.361 -19.752 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.928 -20.539 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.774 -19.252 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.208 -18.450 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.770 -20.355 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.297 -20.619 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.877 -21.397 9.984 1.00 0.00 H new ATOM 389 N TRP A 23 -16.744 -16.497 6.259 1.00 0.00 N ATOM 390 CA TRP A 23 -15.997 -16.277 4.985 1.00 0.00 C ATOM 391 C TRP A 23 -14.693 -17.068 5.015 1.00 0.00 C ATOM 392 O TRP A 23 -14.365 -17.715 5.992 1.00 0.00 O ATOM 393 CB TRP A 23 -15.674 -14.787 4.833 1.00 0.00 C ATOM 394 CG TRP A 23 -16.896 -13.961 5.103 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.175 -14.397 5.003 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.973 -12.565 5.512 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.028 -13.358 5.322 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.336 -12.208 5.644 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.002 -11.582 5.780 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.722 -10.923 6.026 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.387 -10.287 6.165 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.745 -9.960 6.288 1.00 0.00 C ATOM 0 H TRP A 23 -16.395 -15.963 7.055 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.610 -16.609 4.147 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.878 -14.508 5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.307 -14.588 3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.478 -15.394 4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.045 -13.432 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.954 -11.825 5.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.769 -10.675 6.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.634 -9.540 6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.035 -8.963 6.585 1.00 0.00 H new ATOM 413 N GLU A 24 -13.952 -17.024 3.938 1.00 0.00 N ATOM 414 CA GLU A 24 -12.660 -17.775 3.859 1.00 0.00 C ATOM 415 C GLU A 24 -11.492 -16.800 3.895 1.00 0.00 C ATOM 416 O GLU A 24 -11.340 -15.951 3.039 1.00 0.00 O ATOM 417 CB GLU A 24 -12.623 -18.579 2.560 1.00 0.00 C ATOM 418 CG GLU A 24 -13.654 -19.706 2.640 1.00 0.00 C ATOM 419 CD GLU A 24 -13.683 -20.472 1.318 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.929 -20.112 0.430 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.459 -21.407 1.216 1.00 0.00 O ATOM 0 H GLU A 24 -14.189 -16.494 3.099 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.581 -18.452 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.839 -17.931 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.627 -18.991 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.405 -20.382 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.640 -19.295 2.855 1.00 0.00 H new ATOM 428 N CYS A 25 -10.670 -16.928 4.898 1.00 0.00 N ATOM 429 CA CYS A 25 -9.499 -16.024 5.049 1.00 0.00 C ATOM 430 C CYS A 25 -8.365 -16.476 4.140 1.00 0.00 C ATOM 431 O CYS A 25 -8.067 -17.649 4.021 1.00 0.00 O ATOM 432 CB CYS A 25 -9.027 -16.043 6.510 1.00 0.00 C ATOM 433 SG CYS A 25 -10.462 -16.168 7.606 1.00 0.00 S ATOM 0 H CYS A 25 -10.762 -17.632 5.630 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.791 -15.012 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.355 -16.885 6.675 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.463 -15.137 6.733 1.00 0.00 H new ATOM 0 HG CYS A 25 -11.089 -15.029 7.632 1.00 0.00 H new ATOM 439 N GLU A 26 -7.725 -15.530 3.512 1.00 0.00 N ATOM 440 CA GLU A 26 -6.585 -15.836 2.600 1.00 0.00 C ATOM 441 C GLU A 26 -5.384 -14.993 3.013 1.00 0.00 C ATOM 442 O GLU A 26 -5.426 -13.775 3.012 1.00 0.00 O ATOM 443 CB GLU A 26 -6.988 -15.514 1.156 1.00 0.00 C ATOM 444 CG GLU A 26 -5.839 -15.882 0.213 1.00 0.00 C ATOM 445 CD GLU A 26 -6.247 -15.623 -1.244 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.282 -16.124 -1.650 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.508 -14.934 -1.929 1.00 0.00 O ATOM 0 H GLU A 26 -7.948 -14.538 3.593 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.324 -16.892 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.887 -16.068 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.226 -14.455 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.954 -15.296 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.573 -16.931 0.343 1.00 0.00 H new ATOM 454 N SER A 27 -4.315 -15.647 3.382 1.00 0.00 N ATOM 455 CA SER A 27 -3.084 -14.925 3.822 1.00 0.00 C ATOM 456 C SER A 27 -2.090 -14.823 2.667 1.00 0.00 C ATOM 457 O SER A 27 -1.597 -15.809 2.153 1.00 0.00 O ATOM 458 CB SER A 27 -2.447 -15.686 4.987 1.00 0.00 C ATOM 459 OG SER A 27 -3.333 -15.655 6.098 1.00 0.00 O ATOM 0 H SER A 27 -4.241 -16.664 3.398 1.00 0.00 H new ATOM 0 HA SER A 27 -3.352 -13.918 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.243 -16.717 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.492 -15.235 5.254 1.00 0.00 H new ATOM 0 HG SER A 27 -2.933 -16.142 6.849 1.00 0.00 H new ATOM 465 N ILE A 28 -1.796 -13.612 2.274 1.00 0.00 N ATOM 466 CA ILE A 28 -0.830 -13.364 1.164 1.00 0.00 C ATOM 467 C ILE A 28 -0.062 -12.070 1.436 1.00 0.00 C ATOM 468 O ILE A 28 -0.561 -11.149 2.061 1.00 0.00 O ATOM 469 CB ILE A 28 -1.574 -13.250 -0.172 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.556 -13.000 -1.294 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.578 -12.093 -0.124 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.232 -13.169 -2.658 1.00 0.00 C ATOM 0 H ILE A 28 -2.193 -12.767 2.685 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.132 -14.199 1.108 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.116 -14.177 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.143 -11.995 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.277 -13.696 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.099 -12.024 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.301 -12.272 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.049 -11.160 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.504 -12.990 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.623 -14.182 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.050 -12.455 -2.750 1.00 0.00 H new ATOM 484 N GLU A 29 1.154 -12.004 0.969 1.00 0.00 N ATOM 485 CA GLU A 29 1.998 -10.789 1.177 1.00 0.00 C ATOM 486 C GLU A 29 1.791 -9.822 0.023 1.00 0.00 C ATOM 487 O GLU A 29 1.912 -10.177 -1.133 1.00 0.00 O ATOM 488 CB GLU A 29 3.473 -11.198 1.235 1.00 0.00 C ATOM 489 CG GLU A 29 3.725 -11.999 2.514 1.00 0.00 C ATOM 490 CD GLU A 29 5.172 -12.500 2.543 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.903 -12.213 1.610 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.524 -13.168 3.504 1.00 0.00 O ATOM 0 H GLU A 29 1.607 -12.751 0.443 1.00 0.00 H new ATOM 0 HA GLU A 29 1.714 -10.307 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.731 -11.796 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.109 -10.313 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.530 -11.376 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.038 -12.844 2.565 1.00 0.00 H new ATOM 499 N GLU A 30 1.473 -8.594 0.333 1.00 0.00 N ATOM 500 CA GLU A 30 1.245 -7.575 -0.737 1.00 0.00 C ATOM 501 C GLU A 30 1.865 -6.240 -0.337 1.00 0.00 C ATOM 502 O GLU A 30 2.057 -5.941 0.827 1.00 0.00 O ATOM 503 CB GLU A 30 -0.258 -7.394 -0.952 1.00 0.00 C ATOM 504 CG GLU A 30 -0.851 -8.669 -1.559 1.00 0.00 C ATOM 505 CD GLU A 30 -0.285 -8.885 -2.965 1.00 0.00 C ATOM 506 OE1 GLU A 30 -0.350 -7.960 -3.757 1.00 0.00 O ATOM 507 OE2 GLU A 30 0.208 -9.970 -3.224 1.00 0.00 O ATOM 0 H GLU A 30 1.360 -8.249 1.286 1.00 0.00 H new ATOM 0 HA GLU A 30 1.712 -7.919 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.746 -7.170 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.441 -6.546 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.618 -9.526 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.937 -8.591 -1.602 1.00 0.00 H new ATOM 514 N VAL A 31 2.178 -5.441 -1.319 1.00 0.00 N ATOM 515 CA VAL A 31 2.795 -4.109 -1.065 1.00 0.00 C ATOM 516 C VAL A 31 1.696 -3.081 -0.808 1.00 0.00 C ATOM 517 O VAL A 31 0.702 -3.017 -1.507 1.00 0.00 O ATOM 518 CB VAL A 31 3.632 -3.692 -2.280 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.160 -2.273 -2.069 1.00 0.00 C ATOM 520 CG2 VAL A 31 4.816 -4.655 -2.438 1.00 0.00 C ATOM 0 H VAL A 31 2.029 -5.659 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 31 3.443 -4.165 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 31 3.013 -3.723 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.756 -1.974 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.322 -1.586 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.780 -2.245 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.412 -4.360 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.435 -4.621 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.443 -5.669 -2.584 1.00 0.00 H new ATOM 530 N ALA A 32 1.873 -2.292 0.213 1.00 0.00 N ATOM 531 CA ALA A 32 0.858 -1.262 0.580 1.00 0.00 C ATOM 532 C ALA A 32 0.586 -0.341 -0.607 1.00 0.00 C ATOM 533 O ALA A 32 -0.544 0.022 -0.873 1.00 0.00 O ATOM 534 CB ALA A 32 1.407 -0.419 1.737 1.00 0.00 C ATOM 0 H ALA A 32 2.692 -2.316 0.820 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.068 -1.760 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.674 0.338 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.606 -1.063 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.331 0.068 1.426 1.00 0.00 H new ATOM 540 N ASP A 33 1.616 0.051 -1.304 1.00 0.00 N ATOM 541 CA ASP A 33 1.446 0.971 -2.469 1.00 0.00 C ATOM 542 C ASP A 33 0.642 0.275 -3.571 1.00 0.00 C ATOM 543 O ASP A 33 -0.186 0.883 -4.221 1.00 0.00 O ATOM 544 CB ASP A 33 2.832 1.364 -3.009 1.00 0.00 C ATOM 545 CG ASP A 33 2.685 2.400 -4.129 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.565 2.643 -4.547 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.701 2.929 -4.555 1.00 0.00 O ATOM 0 H ASP A 33 2.579 -0.228 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 33 0.909 1.864 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.443 1.772 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.348 0.481 -3.385 1.00 0.00 H new ATOM 552 N ASP A 34 0.885 -0.993 -3.783 1.00 0.00 N ATOM 553 CA ASP A 34 0.147 -1.746 -4.842 1.00 0.00 C ATOM 554 C ASP A 34 -1.340 -1.779 -4.494 1.00 0.00 C ATOM 555 O ASP A 34 -2.193 -1.635 -5.350 1.00 0.00 O ATOM 556 CB ASP A 34 0.680 -3.187 -4.911 1.00 0.00 C ATOM 557 CG ASP A 34 2.070 -3.211 -5.558 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.456 -2.203 -6.128 1.00 0.00 O ATOM 559 OD2 ASP A 34 2.723 -4.239 -5.472 1.00 0.00 O ATOM 0 H ASP A 34 1.569 -1.544 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 34 0.291 -1.255 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.731 -3.611 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.007 -3.809 -5.486 1.00 0.00 H new ATOM 564 N ILE A 35 -1.653 -1.979 -3.240 1.00 0.00 N ATOM 565 CA ILE A 35 -3.077 -2.037 -2.805 1.00 0.00 C ATOM 566 C ILE A 35 -3.559 -0.631 -2.442 1.00 0.00 C ATOM 567 O ILE A 35 -4.323 -0.021 -3.166 1.00 0.00 O ATOM 568 CB ILE A 35 -3.184 -2.943 -1.570 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.769 -4.372 -1.941 1.00 0.00 C ATOM 570 CG2 ILE A 35 -4.627 -2.948 -1.064 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.631 -5.222 -0.673 1.00 0.00 C ATOM 0 H ILE A 35 -0.972 -2.106 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.692 -2.433 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.525 -2.566 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.511 -4.814 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.824 -4.356 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.703 -3.591 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.922 -1.933 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.286 -3.323 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.336 -6.236 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.873 -4.785 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.586 -5.250 -0.148 1.00 0.00 H new ATOM 583 N LEU A 36 -3.124 -0.121 -1.318 1.00 0.00 N ATOM 584 CA LEU A 36 -3.559 1.235 -0.882 1.00 0.00 C ATOM 585 C LEU A 36 -3.191 2.265 -1.956 1.00 0.00 C ATOM 586 O LEU A 36 -2.198 2.123 -2.642 1.00 0.00 O ATOM 587 CB LEU A 36 -2.860 1.593 0.440 1.00 0.00 C ATOM 588 CG LEU A 36 -3.128 0.498 1.480 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.449 0.873 2.801 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.643 0.354 1.708 1.00 0.00 C ATOM 0 H LEU A 36 -2.481 -0.592 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.639 1.241 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.787 1.699 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.224 2.553 0.807 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.727 -0.448 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.639 0.096 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.375 0.970 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.850 1.821 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.827 -0.425 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.048 1.300 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.128 0.086 0.770 1.00 0.00 H new ATOM 602 N PRO A 37 -3.991 3.294 -2.105 1.00 0.00 N ATOM 603 CA PRO A 37 -3.747 4.359 -3.120 1.00 0.00 C ATOM 604 C PRO A 37 -2.499 5.190 -2.817 1.00 0.00 C ATOM 605 O PRO A 37 -2.048 5.276 -1.692 1.00 0.00 O ATOM 606 CB PRO A 37 -5.019 5.222 -3.068 1.00 0.00 C ATOM 607 CG PRO A 37 -5.603 4.983 -1.710 1.00 0.00 C ATOM 608 CD PRO A 37 -5.216 3.559 -1.326 1.00 0.00 C ATOM 0 HA PRO A 37 -3.558 3.937 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.785 6.276 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.720 4.938 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.214 5.700 -0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.686 5.101 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.034 3.471 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.007 2.851 -1.574 1.00 0.00 H new ATOM 616 N ASP A 38 -1.948 5.800 -3.832 1.00 0.00 N ATOM 617 CA ASP A 38 -0.727 6.636 -3.658 1.00 0.00 C ATOM 618 C ASP A 38 -1.073 7.857 -2.805 1.00 0.00 C ATOM 619 O ASP A 38 -0.204 8.518 -2.270 1.00 0.00 O ATOM 620 CB ASP A 38 -0.233 7.102 -5.037 1.00 0.00 C ATOM 621 CG ASP A 38 0.361 5.917 -5.808 1.00 0.00 C ATOM 622 OD1 ASP A 38 0.614 4.897 -5.190 1.00 0.00 O ATOM 623 OD2 ASP A 38 0.558 6.055 -7.005 1.00 0.00 O ATOM 0 H ASP A 38 -2.299 5.753 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 38 0.053 6.054 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.059 7.536 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.518 7.883 -4.919 1.00 0.00 H new ATOM 628 N GLN A 39 -2.340 8.160 -2.681 1.00 0.00 N ATOM 629 CA GLN A 39 -2.770 9.336 -1.869 1.00 0.00 C ATOM 630 C GLN A 39 -2.328 9.140 -0.423 1.00 0.00 C ATOM 631 O GLN A 39 -1.888 10.064 0.233 1.00 0.00 O ATOM 632 CB GLN A 39 -4.302 9.451 -1.909 1.00 0.00 C ATOM 633 CG GLN A 39 -4.744 10.670 -1.094 1.00 0.00 C ATOM 634 CD GLN A 39 -6.251 10.890 -1.256 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.856 10.379 -2.178 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.886 11.635 -0.391 1.00 0.00 N ATOM 0 H GLN A 39 -3.102 7.637 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.320 10.241 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.643 9.546 -2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.756 8.546 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.501 10.522 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.201 11.555 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.378 12.064 0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.890 11.788 -0.489 1.00 0.00 H new ATOM 645 N TYR A 40 -2.444 7.938 0.079 1.00 0.00 N ATOM 646 CA TYR A 40 -2.039 7.657 1.487 1.00 0.00 C ATOM 647 C TYR A 40 -0.618 7.099 1.499 1.00 0.00 C ATOM 648 O TYR A 40 -0.024 6.931 2.544 1.00 0.00 O ATOM 649 CB TYR A 40 -3.008 6.632 2.094 1.00 0.00 C ATOM 650 CG TYR A 40 -2.408 6.051 3.355 1.00 0.00 C ATOM 651 CD1 TYR A 40 -2.265 6.853 4.491 1.00 0.00 C ATOM 652 CD2 TYR A 40 -1.991 4.715 3.383 1.00 0.00 C ATOM 653 CE1 TYR A 40 -1.705 6.319 5.657 1.00 0.00 C ATOM 654 CE2 TYR A 40 -1.432 4.181 4.549 1.00 0.00 C ATOM 655 CZ TYR A 40 -1.290 4.982 5.688 1.00 0.00 C ATOM 656 OH TYR A 40 -0.745 4.456 6.839 1.00 0.00 O ATOM 0 H TYR A 40 -2.805 7.132 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.070 8.575 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.962 7.108 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.210 5.837 1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.586 7.884 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.101 4.097 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.593 6.939 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.110 3.150 4.570 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.946 3.498 6.888 1.00 0.00 H new ATOM 666 N VAL A 41 -0.072 6.815 0.348 1.00 0.00 N ATOM 667 CA VAL A 41 1.322 6.275 0.279 1.00 0.00 C ATOM 668 C VAL A 41 2.115 7.101 -0.736 1.00 0.00 C ATOM 669 O VAL A 41 2.896 6.578 -1.507 1.00 0.00 O ATOM 670 CB VAL A 41 1.290 4.801 -0.150 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.612 4.140 0.242 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.134 4.079 0.554 1.00 0.00 C ATOM 0 H VAL A 41 -0.532 6.934 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 41 1.796 6.340 1.258 1.00 0.00 H new ATOM 0 HB VAL A 41 1.147 4.739 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.598 3.092 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.436 4.650 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.745 4.206 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.116 3.034 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.273 4.137 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.810 4.553 0.284 1.00 0.00 H new ATOM 682 N ARG A 42 1.916 8.394 -0.730 1.00 0.00 N ATOM 683 CA ARG A 42 2.653 9.283 -1.675 1.00 0.00 C ATOM 684 C ARG A 42 4.144 9.223 -1.356 1.00 0.00 C ATOM 685 O ARG A 42 4.974 9.130 -2.238 1.00 0.00 O ATOM 686 CB ARG A 42 2.148 10.723 -1.519 1.00 0.00 C ATOM 687 CG ARG A 42 2.980 11.657 -2.405 1.00 0.00 C ATOM 688 CD ARG A 42 2.375 13.061 -2.394 1.00 0.00 C ATOM 689 NE ARG A 42 2.410 13.609 -1.006 1.00 0.00 N ATOM 690 CZ ARG A 42 3.470 14.233 -0.559 1.00 0.00 C ATOM 691 NH1 ARG A 42 4.520 14.395 -1.324 1.00 0.00 N ATOM 692 NH2 ARG A 42 3.477 14.702 0.658 1.00 0.00 N ATOM 0 H ARG A 42 1.269 8.875 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 42 2.486 8.953 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.096 10.783 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.220 11.034 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.009 11.692 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.011 11.273 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.931 13.713 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.348 13.028 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 42 1.598 13.496 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.517 14.033 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.341 14.883 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.659 14.582 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.300 15.189 1.012 1.00 0.00 H new ATOM 706 N LEU A 43 4.485 9.277 -0.099 1.00 0.00 N ATOM 707 CA LEU A 43 5.924 9.221 0.305 1.00 0.00 C ATOM 708 C LEU A 43 6.023 8.607 1.709 1.00 0.00 C ATOM 709 O LEU A 43 7.071 8.601 2.324 1.00 0.00 O ATOM 710 CB LEU A 43 6.513 10.645 0.300 1.00 0.00 C ATOM 711 CG LEU A 43 6.067 11.423 1.550 1.00 0.00 C ATOM 712 CD1 LEU A 43 6.548 12.869 1.453 1.00 0.00 C ATOM 713 CD2 LEU A 43 4.539 11.397 1.651 1.00 0.00 C ATOM 0 H LEU A 43 3.825 9.358 0.675 1.00 0.00 H new ATOM 0 HA LEU A 43 6.488 8.606 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.601 10.594 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.191 11.174 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 43 6.497 10.958 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.231 13.418 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.636 12.887 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.121 13.336 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.223 11.948 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.108 11.859 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.197 10.365 1.725 1.00 0.00 H new ATOM 725 N GLY A 44 4.924 8.119 2.219 1.00 0.00 N ATOM 726 CA GLY A 44 4.911 7.524 3.583 1.00 0.00 C ATOM 727 C GLY A 44 5.907 6.371 3.655 1.00 0.00 C ATOM 728 O GLY A 44 6.389 5.892 2.648 1.00 0.00 O ATOM 0 H GLY A 44 4.023 8.108 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.166 8.283 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.910 7.167 3.824 1.00 0.00 H new ATOM 732 N PRO A 45 6.206 5.927 4.847 1.00 0.00 N ATOM 733 CA PRO A 45 7.158 4.802 5.064 1.00 0.00 C ATOM 734 C PRO A 45 6.606 3.491 4.497 1.00 0.00 C ATOM 735 O PRO A 45 7.338 2.552 4.256 1.00 0.00 O ATOM 736 CB PRO A 45 7.311 4.731 6.597 1.00 0.00 C ATOM 737 CG PRO A 45 6.100 5.419 7.156 1.00 0.00 C ATOM 738 CD PRO A 45 5.665 6.451 6.113 1.00 0.00 C ATOM 0 HA PRO A 45 8.111 4.958 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.367 3.697 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.227 5.224 6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.302 4.703 7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.332 5.901 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.580 6.547 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.064 7.440 6.339 1.00 0.00 H new ATOM 746 N LEU A 46 5.319 3.433 4.279 1.00 0.00 N ATOM 747 CA LEU A 46 4.690 2.198 3.725 1.00 0.00 C ATOM 748 C LEU A 46 4.947 2.153 2.223 1.00 0.00 C ATOM 749 O LEU A 46 4.347 1.379 1.502 1.00 0.00 O ATOM 750 CB LEU A 46 3.178 2.229 3.989 1.00 0.00 C ATOM 751 CG LEU A 46 2.913 2.348 5.495 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.403 2.434 5.737 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.483 1.119 6.225 1.00 0.00 C ATOM 0 H LEU A 46 4.669 4.197 4.463 1.00 0.00 H new ATOM 0 HA LEU A 46 5.116 1.315 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.726 3.070 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.713 1.323 3.600 1.00 0.00 H new ATOM 0 HG LEU A 46 3.398 3.246 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.210 2.519 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.002 3.309 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.921 1.536 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.292 1.210 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.004 0.216 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.558 1.059 6.053 1.00 0.00 H new ATOM 765 N SER A 47 5.835 2.989 1.754 1.00 0.00 N ATOM 766 CA SER A 47 6.162 3.033 0.299 1.00 0.00 C ATOM 767 C SER A 47 6.245 1.622 -0.267 1.00 0.00 C ATOM 768 O SER A 47 5.258 1.052 -0.690 1.00 0.00 O ATOM 769 CB SER A 47 7.518 3.718 0.102 1.00 0.00 C ATOM 770 OG SER A 47 8.468 3.164 1.006 1.00 0.00 O ATOM 0 H SER A 47 6.355 3.653 2.327 1.00 0.00 H new ATOM 0 HA SER A 47 5.378 3.587 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.858 3.586 -0.925 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.423 4.791 0.271 1.00 0.00 H new ATOM 0 HG SER A 47 9.317 3.016 0.539 1.00 0.00 H new ATOM 776 N ASN A 48 7.427 1.061 -0.287 1.00 0.00 N ATOM 777 CA ASN A 48 7.613 -0.317 -0.838 1.00 0.00 C ATOM 778 C ASN A 48 7.712 -1.317 0.309 1.00 0.00 C ATOM 779 O ASN A 48 8.601 -2.146 0.353 1.00 0.00 O ATOM 780 CB ASN A 48 8.901 -0.366 -1.675 1.00 0.00 C ATOM 781 CG ASN A 48 8.739 0.491 -2.936 1.00 0.00 C ATOM 782 OD1 ASN A 48 7.553 0.671 -3.448 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 9.708 0.995 -3.468 1.00 0.00 N flip ATOM 0 H ASN A 48 8.279 1.502 0.058 1.00 0.00 H new ATOM 0 HA ASN A 48 6.761 -0.573 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.742 -0.004 -1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.126 -1.396 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.637 0.857 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.592 1.556 -4.312 1.00 0.00 H new ATOM 790 N LYS A 49 6.793 -1.248 1.236 1.00 0.00 N ATOM 791 CA LYS A 49 6.804 -2.193 2.391 1.00 0.00 C ATOM 792 C LYS A 49 5.845 -3.345 2.129 1.00 0.00 C ATOM 793 O LYS A 49 4.763 -3.173 1.599 1.00 0.00 O ATOM 794 CB LYS A 49 6.373 -1.451 3.658 1.00 0.00 C ATOM 795 CG LYS A 49 7.530 -0.560 4.143 1.00 0.00 C ATOM 796 CD LYS A 49 8.482 -1.377 5.039 1.00 0.00 C ATOM 797 CE LYS A 49 7.985 -1.340 6.486 1.00 0.00 C ATOM 798 NZ LYS A 49 8.911 -2.124 7.345 1.00 0.00 N ATOM 0 H LYS A 49 6.029 -0.572 1.242 1.00 0.00 H new ATOM 0 HA LYS A 49 7.811 -2.589 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.491 -0.843 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.097 -2.164 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.075 -0.160 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.137 0.292 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.533 -2.408 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.491 -0.970 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.930 -0.310 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.978 -1.752 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.575 -2.100 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.942 -3.109 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.864 -1.712 7.294 1.00 0.00 H new ATOM 812 N ILE A 50 6.253 -4.522 2.509 1.00 0.00 N ATOM 813 CA ILE A 50 5.405 -5.727 2.306 1.00 0.00 C ATOM 814 C ILE A 50 4.568 -5.965 3.553 1.00 0.00 C ATOM 815 O ILE A 50 5.051 -6.417 4.572 1.00 0.00 O ATOM 816 CB ILE A 50 6.307 -6.936 2.041 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.973 -6.768 0.668 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.468 -8.214 2.055 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.915 -5.556 0.678 1.00 0.00 C ATOM 0 H ILE A 50 7.151 -4.702 2.958 1.00 0.00 H new ATOM 0 HA ILE A 50 4.742 -5.579 1.453 1.00 0.00 H new ATOM 0 HB ILE A 50 7.072 -7.004 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.531 -7.669 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.211 -6.638 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.111 -9.074 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.990 -8.325 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.703 -8.156 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.380 -5.449 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.347 -4.655 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.688 -5.702 1.433 1.00 0.00 H new ATOM 831 N LEU A 51 3.305 -5.654 3.468 1.00 0.00 N ATOM 832 CA LEU A 51 2.386 -5.838 4.629 1.00 0.00 C ATOM 833 C LEU A 51 1.512 -7.067 4.407 1.00 0.00 C ATOM 834 O LEU A 51 1.001 -7.303 3.326 1.00 0.00 O ATOM 835 CB LEU A 51 1.495 -4.598 4.776 1.00 0.00 C ATOM 836 CG LEU A 51 2.272 -3.478 5.481 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.422 -2.987 4.590 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.319 -2.318 5.773 1.00 0.00 C ATOM 0 H LEU A 51 2.863 -5.274 2.631 1.00 0.00 H new ATOM 0 HA LEU A 51 2.975 -5.975 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.162 -4.260 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.601 -4.847 5.347 1.00 0.00 H new ATOM 0 HG LEU A 51 2.689 -3.860 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.965 -2.193 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.100 -3.815 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.018 -2.605 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.863 -1.517 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.904 -1.944 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.510 -2.665 6.416 1.00 0.00 H new ATOM 850 N GLN A 52 1.332 -7.840 5.441 1.00 0.00 N ATOM 851 CA GLN A 52 0.489 -9.060 5.338 1.00 0.00 C ATOM 852 C GLN A 52 -0.971 -8.643 5.285 1.00 0.00 C ATOM 853 O GLN A 52 -1.515 -8.095 6.225 1.00 0.00 O ATOM 854 CB GLN A 52 0.738 -9.964 6.550 1.00 0.00 C ATOM 855 CG GLN A 52 2.153 -10.545 6.466 1.00 0.00 C ATOM 856 CD GLN A 52 2.446 -11.378 7.717 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.493 -10.854 8.811 1.00 0.00 O ATOM 858 NE2 GLN A 52 2.648 -12.663 7.600 1.00 0.00 N ATOM 0 H GLN A 52 1.738 -7.675 6.362 1.00 0.00 H new ATOM 0 HA GLN A 52 0.742 -9.614 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.620 -9.396 7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.003 -10.769 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.249 -11.165 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.882 -9.740 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.609 -13.104 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.845 -13.226 8.428 1.00 0.00 H new ATOM 867 N THR A 53 -1.598 -8.890 4.170 1.00 0.00 N ATOM 868 CA THR A 53 -3.029 -8.510 3.988 1.00 0.00 C ATOM 869 C THR A 53 -3.907 -9.756 4.022 1.00 0.00 C ATOM 870 O THR A 53 -3.713 -10.693 3.274 1.00 0.00 O ATOM 871 CB THR A 53 -3.184 -7.798 2.640 1.00 0.00 C ATOM 872 OG1 THR A 53 -4.482 -7.234 2.561 1.00 0.00 O ATOM 873 CG2 THR A 53 -2.991 -8.783 1.491 1.00 0.00 C ATOM 0 H THR A 53 -1.173 -9.347 3.363 1.00 0.00 H new ATOM 0 HA THR A 53 -3.338 -7.844 4.794 1.00 0.00 H new ATOM 0 HB THR A 53 -2.429 -7.016 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.588 -6.775 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.104 -8.261 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.993 -9.219 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.737 -9.575 1.561 1.00 0.00 H new ATOM 881 N ASN A 54 -4.880 -9.764 4.893 1.00 0.00 N ATOM 882 CA ASN A 54 -5.801 -10.937 5.003 1.00 0.00 C ATOM 883 C ASN A 54 -7.110 -10.627 4.278 1.00 0.00 C ATOM 884 O ASN A 54 -7.983 -9.959 4.797 1.00 0.00 O ATOM 885 CB ASN A 54 -6.074 -11.217 6.481 1.00 0.00 C ATOM 886 CG ASN A 54 -6.991 -12.429 6.606 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.638 -12.818 5.654 1.00 0.00 O ATOM 888 ND2 ASN A 54 -7.075 -13.050 7.749 1.00 0.00 N ATOM 0 H ASN A 54 -5.080 -9.001 5.540 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.343 -11.814 4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.137 -11.400 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.537 -10.347 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.684 -13.863 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.532 -12.723 8.548 1.00 0.00 H new ATOM 895 N THR A 55 -7.236 -11.119 3.072 1.00 0.00 N ATOM 896 CA THR A 55 -8.468 -10.878 2.262 1.00 0.00 C ATOM 897 C THR A 55 -9.473 -11.996 2.499 1.00 0.00 C ATOM 898 O THR A 55 -9.145 -13.167 2.469 1.00 0.00 O ATOM 899 CB THR A 55 -8.099 -10.836 0.774 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.119 -9.828 0.563 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.345 -10.514 -0.056 1.00 0.00 C ATOM 0 H THR A 55 -6.527 -11.686 2.608 1.00 0.00 H new ATOM 0 HA THR A 55 -8.911 -9.928 2.560 1.00 0.00 H new ATOM 0 HB THR A 55 -7.703 -11.805 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.879 -9.799 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.080 -10.485 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.100 -11.283 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.743 -9.545 0.246 1.00 0.00 H new ATOM 909 N TYR A 56 -10.705 -11.629 2.735 1.00 0.00 N ATOM 910 CA TYR A 56 -11.776 -12.641 2.982 1.00 0.00 C ATOM 911 C TYR A 56 -12.728 -12.660 1.791 1.00 0.00 C ATOM 912 O TYR A 56 -13.119 -11.631 1.271 1.00 0.00 O ATOM 913 CB TYR A 56 -12.555 -12.264 4.243 1.00 0.00 C ATOM 914 CG TYR A 56 -11.588 -11.977 5.369 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.098 -10.679 5.559 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.178 -13.011 6.219 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.199 -10.414 6.599 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.278 -12.746 7.259 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.789 -11.448 7.448 1.00 0.00 C ATOM 920 OH TYR A 56 -8.900 -11.189 8.472 1.00 0.00 O ATOM 0 H TYR A 56 -11.019 -10.659 2.768 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.326 -13.625 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.176 -11.389 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.226 -13.075 4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.414 -9.882 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.555 -14.012 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.822 -9.413 6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.961 -13.543 7.915 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.292 -11.471 9.325 1.00 0.00 H new ATOM 930 N TYR A 57 -13.102 -13.833 1.359 1.00 0.00 N ATOM 931 CA TYR A 57 -14.033 -13.962 0.198 1.00 0.00 C ATOM 932 C TYR A 57 -15.082 -15.027 0.490 1.00 0.00 C ATOM 933 O TYR A 57 -14.775 -16.155 0.832 1.00 0.00 O ATOM 934 CB TYR A 57 -13.248 -14.361 -1.053 1.00 0.00 C ATOM 935 CG TYR A 57 -12.596 -15.711 -0.853 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.429 -15.818 -0.090 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.157 -16.856 -1.437 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.823 -17.068 0.091 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.549 -18.105 -1.256 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.381 -18.210 -0.491 1.00 0.00 C ATOM 941 OH TYR A 57 -10.781 -19.440 -0.313 1.00 0.00 O ATOM 0 H TYR A 57 -12.800 -14.719 1.765 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.524 -13.003 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.915 -14.395 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.488 -13.610 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.995 -14.937 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.058 -16.775 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.923 -17.150 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.981 -18.986 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.445 -20.149 -0.439 1.00 0.00 H new ATOM 951 N SER A 58 -16.326 -14.662 0.345 1.00 0.00 N ATOM 952 CA SER A 58 -17.445 -15.620 0.582 1.00 0.00 C ATOM 953 C SER A 58 -18.513 -15.433 -0.498 1.00 0.00 C ATOM 954 O SER A 58 -18.389 -14.604 -1.382 1.00 0.00 O ATOM 955 CB SER A 58 -18.063 -15.377 1.958 1.00 0.00 C ATOM 956 OG SER A 58 -19.126 -14.443 1.844 1.00 0.00 O ATOM 0 H SER A 58 -16.620 -13.725 0.068 1.00 0.00 H new ATOM 0 HA SER A 58 -17.057 -16.638 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.432 -16.315 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.306 -15.000 2.646 1.00 0.00 H new ATOM 0 HG SER A 58 -19.452 -14.208 2.738 1.00 0.00 H new ATOM 962 N ASP A 59 -19.558 -16.210 -0.424 1.00 0.00 N ATOM 963 CA ASP A 59 -20.660 -16.122 -1.425 1.00 0.00 C ATOM 964 C ASP A 59 -21.314 -14.741 -1.351 1.00 0.00 C ATOM 965 O ASP A 59 -21.602 -14.124 -2.360 1.00 0.00 O ATOM 966 CB ASP A 59 -21.711 -17.198 -1.109 1.00 0.00 C ATOM 967 CG ASP A 59 -21.165 -18.583 -1.473 1.00 0.00 C ATOM 968 OD1 ASP A 59 -20.165 -18.641 -2.168 1.00 0.00 O ATOM 969 OD2 ASP A 59 -21.760 -19.562 -1.051 1.00 0.00 O ATOM 0 H ASP A 59 -19.698 -16.915 0.300 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.257 -16.277 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.970 -17.166 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.626 -17.000 -1.667 1.00 0.00 H new ATOM 974 N THR A 60 -21.557 -14.259 -0.159 1.00 0.00 N ATOM 975 CA THR A 60 -22.198 -12.920 0.010 1.00 0.00 C ATOM 976 C THR A 60 -21.248 -11.837 -0.505 1.00 0.00 C ATOM 977 O THR A 60 -21.634 -10.960 -1.254 1.00 0.00 O ATOM 978 CB THR A 60 -22.469 -12.672 1.504 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.297 -12.962 2.257 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.612 -13.570 1.985 1.00 0.00 C ATOM 0 H THR A 60 -21.337 -14.741 0.713 1.00 0.00 H new ATOM 0 HA THR A 60 -23.134 -12.891 -0.548 1.00 0.00 H new ATOM 0 HB THR A 60 -22.747 -11.627 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.721 -13.567 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.797 -13.388 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.514 -13.347 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.340 -14.615 1.839 1.00 0.00 H new ATOM 988 N LEU A 61 -20.008 -11.901 -0.090 1.00 0.00 N ATOM 989 CA LEU A 61 -18.992 -10.890 -0.518 1.00 0.00 C ATOM 990 C LEU A 61 -18.800 -10.949 -2.034 1.00 0.00 C ATOM 991 O LEU A 61 -18.702 -9.934 -2.694 1.00 0.00 O ATOM 992 CB LEU A 61 -17.654 -11.212 0.175 1.00 0.00 C ATOM 993 CG LEU A 61 -17.626 -10.603 1.578 1.00 0.00 C ATOM 994 CD1 LEU A 61 -18.835 -11.086 2.383 1.00 0.00 C ATOM 995 CD2 LEU A 61 -16.338 -11.023 2.289 1.00 0.00 C ATOM 0 H LEU A 61 -19.651 -12.622 0.537 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.332 -9.892 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.519 -12.292 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -16.826 -10.820 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 61 -17.663 -9.517 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.807 -10.647 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -19.753 -10.782 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -18.808 -12.173 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -16.317 -10.590 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.301 -12.110 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.477 -10.669 1.722 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.729 -12.133 -2.578 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.528 -12.284 -4.049 1.00 0.00 C ATOM 1009 C HIS A 62 -19.767 -11.779 -4.791 1.00 0.00 C ATOM 1010 O HIS A 62 -19.666 -11.122 -5.808 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.295 -13.764 -4.380 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.066 -13.915 -5.858 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -16.870 -13.555 -6.460 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -18.871 -14.376 -6.869 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.990 -13.800 -7.777 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -18.190 -14.302 -8.081 1.00 0.00 N ATOM 0 H HIS A 62 -18.802 -13.010 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.661 -11.701 -4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.434 -14.141 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.156 -14.357 -4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.880 -14.741 -6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.211 -13.613 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -18.533 -14.573 -9.003 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.934 -12.089 -4.289 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.191 -11.636 -4.954 1.00 0.00 C ATOM 1026 C LYS A 63 -22.283 -10.112 -4.900 1.00 0.00 C ATOM 1027 O LYS A 63 -22.662 -9.469 -5.860 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.397 -12.246 -4.231 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.676 -11.851 -4.968 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.878 -12.555 -4.340 1.00 0.00 C ATOM 1031 CE LYS A 63 -27.147 -12.177 -5.108 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.424 -10.723 -4.927 1.00 0.00 N ATOM 0 H LYS A 63 -21.071 -12.640 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.186 -11.959 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.304 -13.331 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.434 -11.895 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.813 -10.771 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.596 -12.119 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.734 -13.635 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.975 -12.269 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.026 -12.406 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -27.991 -12.766 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.419 -10.527 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.241 -10.455 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -26.806 -10.171 -5.556 1.00 0.00 H new ATOM 1046 N SER A 64 -21.950 -9.535 -3.776 1.00 0.00 N ATOM 1047 CA SER A 64 -22.019 -8.050 -3.630 1.00 0.00 C ATOM 1048 C SER A 64 -20.780 -7.416 -4.267 1.00 0.00 C ATOM 1049 O SER A 64 -20.659 -6.208 -4.338 1.00 0.00 O ATOM 1050 CB SER A 64 -22.080 -7.690 -2.144 1.00 0.00 C ATOM 1051 OG SER A 64 -23.258 -8.249 -1.575 1.00 0.00 O ATOM 0 H SER A 64 -21.630 -10.033 -2.945 1.00 0.00 H new ATOM 0 HA SER A 64 -22.911 -7.673 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.198 -8.070 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.080 -6.607 -2.020 1.00 0.00 H new ATOM 0 HG SER A 64 -23.098 -9.189 -1.349 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.863 -8.231 -4.726 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.618 -7.713 -5.367 1.00 0.00 C ATOM 1059 C ASN A 65 -17.843 -6.859 -4.371 1.00 0.00 C ATOM 1060 O ASN A 65 -17.323 -5.812 -4.702 1.00 0.00 O ATOM 1061 CB ASN A 65 -18.979 -6.901 -6.614 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.714 -6.620 -7.426 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -16.985 -7.527 -7.775 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -17.419 -5.389 -7.743 1.00 0.00 N ATOM 0 H ASN A 65 -19.927 -9.248 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 65 -17.987 -8.549 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.699 -7.449 -7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.454 -5.963 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.577 -5.189 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.030 -4.627 -7.451 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.754 -7.320 -3.147 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.007 -6.569 -2.091 1.00 0.00 C ATOM 1073 C ILE A 66 -15.763 -7.356 -1.690 1.00 0.00 C ATOM 1074 O ILE A 66 -15.815 -8.541 -1.421 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.905 -6.366 -0.871 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.117 -5.521 -1.275 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.111 -5.641 0.216 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.128 -5.479 -0.127 1.00 0.00 C ATOM 0 H ILE A 66 -18.172 -8.195 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.708 -5.596 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.246 -7.330 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.798 -4.510 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.583 -5.941 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.744 -5.492 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.244 -6.240 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.778 -4.674 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.987 -4.876 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.457 -6.492 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.660 -5.039 0.754 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.636 -6.690 -1.665 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.345 -7.352 -1.300 1.00 0.00 C ATOM 1092 C TYR A 67 -12.770 -6.712 -0.028 1.00 0.00 C ATOM 1093 O TYR A 67 -12.003 -5.769 -0.094 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.347 -7.181 -2.445 1.00 0.00 C ATOM 1095 CG TYR A 67 -12.812 -7.984 -3.639 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -12.720 -9.383 -3.621 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.331 -7.334 -4.765 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.147 -10.128 -4.728 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.759 -8.079 -5.871 1.00 0.00 C ATOM 1100 CZ TYR A 67 -13.666 -9.475 -5.854 1.00 0.00 C ATOM 1101 OH TYR A 67 -14.084 -10.208 -6.946 1.00 0.00 O ATOM 0 H TYR A 67 -14.554 -5.698 -1.886 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.524 -8.412 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.260 -6.128 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.357 -7.513 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.320 -9.886 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.401 -6.256 -4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.076 -11.206 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.161 -7.576 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.418 -9.601 -7.639 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.131 -7.230 1.124 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.638 -6.719 2.429 1.00 0.00 C ATOM 1113 C PRO A 68 -11.282 -7.321 2.799 1.00 0.00 C ATOM 1114 O PRO A 68 -11.012 -8.475 2.530 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.731 -7.155 3.406 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.277 -8.427 2.831 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.057 -8.362 1.312 1.00 0.00 C ATOM 0 HA PRO A 68 -12.470 -5.642 2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.327 -7.315 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.508 -6.396 3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.770 -9.292 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.337 -8.532 3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.632 -9.291 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.995 -8.200 0.781 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.432 -6.544 3.416 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.091 -7.062 3.809 1.00 0.00 C ATOM 1127 C PHE A 69 -8.540 -6.273 4.994 1.00 0.00 C ATOM 1128 O PHE A 69 -8.909 -5.132 5.245 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.125 -6.953 2.627 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.967 -5.507 2.218 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -6.982 -4.715 2.817 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -8.802 -4.959 1.236 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -6.831 -3.376 2.437 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -8.651 -3.619 0.856 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.665 -2.828 1.457 1.00 0.00 C ATOM 0 H PHE A 69 -10.610 -5.571 3.665 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.194 -8.108 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.156 -7.370 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.499 -7.538 1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.337 -5.137 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.562 -5.570 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.070 -2.766 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.295 -3.196 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.548 -1.795 1.164 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.643 -6.891 5.718 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.011 -6.242 6.904 1.00 0.00 C ATOM 1147 C ILE A 70 -5.501 -6.219 6.716 1.00 0.00 C ATOM 1148 O ILE A 70 -4.885 -7.209 6.375 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.362 -7.025 8.172 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.872 -6.928 8.422 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.598 -6.431 9.360 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.278 -7.915 9.521 1.00 0.00 C ATOM 0 H ILE A 70 -7.316 -7.839 5.532 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.383 -5.222 7.003 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.083 -8.072 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.137 -5.912 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.417 -7.147 7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.845 -6.986 10.265 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.526 -6.499 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.879 -5.385 9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.351 -7.843 9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.028 -8.929 9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.744 -7.676 10.440 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.910 -5.079 6.935 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.434 -4.927 6.776 1.00 0.00 C ATOM 1166 C LEU A 71 -2.770 -4.919 8.140 1.00 0.00 C ATOM 1167 O LEU A 71 -3.164 -4.205 9.041 1.00 0.00 O ATOM 1168 CB LEU A 71 -3.136 -3.604 6.055 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.755 -3.617 4.648 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.513 -2.265 3.970 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.120 -4.730 3.810 1.00 0.00 C ATOM 0 H LEU A 71 -5.395 -4.229 7.223 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.045 -5.761 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.538 -2.769 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.059 -3.454 5.985 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.827 -3.797 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.952 -2.275 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.973 -1.474 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.441 -2.083 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.563 -4.734 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.047 -4.557 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.297 -5.693 4.289 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.748 -5.712 8.290 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.019 -5.770 9.584 1.00 0.00 C ATOM 1185 C TYR A 72 0.458 -6.054 9.337 1.00 0.00 C ATOM 1186 O TYR A 72 0.847 -6.634 8.337 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.621 -6.856 10.476 1.00 0.00 C ATOM 1188 CG TYR A 72 -1.770 -8.144 9.700 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.802 -8.274 8.766 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -0.887 -9.206 9.921 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -2.953 -9.467 8.050 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -1.036 -10.400 9.206 1.00 0.00 C ATOM 1193 CZ TYR A 72 -2.069 -10.531 8.270 1.00 0.00 C ATOM 1194 OH TYR A 72 -2.215 -11.709 7.564 1.00 0.00 O ATOM 0 H TYR A 72 -1.384 -6.328 7.564 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.114 -4.808 10.088 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.983 -7.018 11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.593 -6.533 10.849 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.483 -7.453 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.090 -9.105 10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.750 -9.567 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.354 -11.220 9.376 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.519 -12.342 7.837 1.00 0.00 H new ATOM 1204 N TYR A 73 1.280 -5.630 10.256 1.00 0.00 N ATOM 1205 CA TYR A 73 2.752 -5.831 10.135 1.00 0.00 C ATOM 1206 C TYR A 73 3.307 -6.336 11.467 1.00 0.00 C ATOM 1207 O TYR A 73 3.151 -5.715 12.500 1.00 0.00 O ATOM 1208 CB TYR A 73 3.411 -4.499 9.762 1.00 0.00 C ATOM 1209 CG TYR A 73 4.914 -4.665 9.734 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.520 -5.369 8.686 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.702 -4.117 10.756 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.912 -5.525 8.660 1.00 0.00 C ATOM 1213 CE2 TYR A 73 7.093 -4.272 10.728 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.698 -4.977 9.679 1.00 0.00 C ATOM 1215 OH TYR A 73 9.070 -5.133 9.654 1.00 0.00 O ATOM 0 H TYR A 73 0.988 -5.143 11.103 1.00 0.00 H new ATOM 0 HA TYR A 73 2.964 -6.568 9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.054 -4.166 8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.134 -3.730 10.483 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.914 -5.792 7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.236 -3.575 11.565 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.379 -6.069 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.700 -3.848 11.515 1.00 0.00 H new ATOM 0 HH TYR A 73 9.464 -4.691 10.435 1.00 0.00 H new ATOM 1225 N GLN A 74 3.954 -7.465 11.429 1.00 0.00 N ATOM 1226 CA GLN A 74 4.550 -8.068 12.655 1.00 0.00 C ATOM 1227 C GLN A 74 3.477 -8.263 13.727 1.00 0.00 C ATOM 1228 O GLN A 74 3.636 -7.861 14.863 1.00 0.00 O ATOM 1229 CB GLN A 74 5.665 -7.164 13.181 1.00 0.00 C ATOM 1230 CG GLN A 74 6.803 -7.092 12.152 1.00 0.00 C ATOM 1231 CD GLN A 74 7.463 -8.467 11.993 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.602 -8.960 10.890 1.00 0.00 O ATOM 1233 NE2 GLN A 74 7.885 -9.109 13.047 1.00 0.00 N ATOM 0 H GLN A 74 4.099 -8.010 10.579 1.00 0.00 H new ATOM 0 HA GLN A 74 4.968 -9.043 12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.275 -6.165 13.376 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.042 -7.549 14.128 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.413 -6.755 11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.545 -6.359 12.470 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.770 -8.699 13.974 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.330 -10.021 12.944 1.00 0.00 H new ATOM 1242 N LYS A 75 2.394 -8.900 13.364 1.00 0.00 N ATOM 1243 CA LYS A 75 1.290 -9.164 14.332 1.00 0.00 C ATOM 1244 C LYS A 75 0.803 -7.845 14.913 1.00 0.00 C ATOM 1245 O LYS A 75 0.603 -7.709 16.104 1.00 0.00 O ATOM 1246 CB LYS A 75 1.792 -10.091 15.443 1.00 0.00 C ATOM 1247 CG LYS A 75 2.396 -11.362 14.827 1.00 0.00 C ATOM 1248 CD LYS A 75 1.311 -12.158 14.089 1.00 0.00 C ATOM 1249 CE LYS A 75 1.802 -13.586 13.842 1.00 0.00 C ATOM 1250 NZ LYS A 75 0.734 -14.365 13.153 1.00 0.00 N ATOM 0 H LYS A 75 2.226 -9.254 12.422 1.00 0.00 H new ATOM 0 HA LYS A 75 0.459 -9.652 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.540 -9.578 16.047 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.970 -10.354 16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.196 -11.096 14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.842 -11.978 15.608 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.394 -12.175 14.678 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.073 -11.675 13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.706 -13.571 13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.062 -14.062 14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.066 -15.336 12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.118 -14.389 13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.507 -13.914 12.244 1.00 0.00 H new ATOM 1264 N GLN A 76 0.599 -6.873 14.065 1.00 0.00 N ATOM 1265 CA GLN A 76 0.113 -5.546 14.538 1.00 0.00 C ATOM 1266 C GLN A 76 -0.748 -4.892 13.458 1.00 0.00 C ATOM 1267 O GLN A 76 -0.352 -4.756 12.313 1.00 0.00 O ATOM 1268 CB GLN A 76 1.305 -4.656 14.865 1.00 0.00 C ATOM 1269 CG GLN A 76 0.802 -3.375 15.529 1.00 0.00 C ATOM 1270 CD GLN A 76 1.992 -2.506 15.939 1.00 0.00 C ATOM 1271 OE1 GLN A 76 3.096 -2.991 16.078 1.00 0.00 O ATOM 1272 NE2 GLN A 76 1.809 -1.229 16.137 1.00 0.00 N ATOM 0 H GLN A 76 0.749 -6.942 13.059 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.491 -5.681 15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.994 -5.178 15.529 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.857 -4.417 13.956 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.158 -2.826 14.842 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.199 -3.620 16.404 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.881 -0.823 16.020 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.594 -0.637 16.409 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.934 -4.498 13.833 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.883 -3.860 12.879 1.00 0.00 C ATOM 1283 C LEU A 77 -2.323 -2.526 12.393 1.00 0.00 C ATOM 1284 O LEU A 77 -1.952 -1.667 13.167 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.221 -3.623 13.598 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.269 -3.107 12.602 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.573 -4.190 11.553 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.557 -2.742 13.352 1.00 0.00 C ATOM 0 H LEU A 77 -2.292 -4.594 14.783 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.029 -4.513 12.019 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.567 -4.550 14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.087 -2.901 14.404 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.878 -2.222 12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.317 -3.817 10.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.659 -4.442 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.958 -5.080 12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.300 -2.376 12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.945 -3.625 13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.343 -1.966 14.086 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.282 -2.355 11.100 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.774 -1.087 10.495 1.00 0.00 C ATOM 1302 C ILE A 78 -2.951 -0.309 9.926 1.00 0.00 C ATOM 1303 O ILE A 78 -3.079 0.882 10.130 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.788 -1.425 9.369 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.470 -2.079 9.968 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.402 -0.150 8.612 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.163 -1.124 10.959 1.00 0.00 C ATOM 0 H ILE A 78 -2.585 -3.054 10.422 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.267 -0.487 11.251 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.260 -2.119 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.198 -3.004 10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.162 -2.347 9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.298 -0.398 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.296 0.303 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.067 0.554 9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.050 -1.607 11.370 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.455 -0.211 10.441 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.476 -0.878 11.768 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.809 -0.980 9.207 1.00 0.00 N ATOM 1320 CA ALA A 79 -4.984 -0.294 8.608 1.00 0.00 C ATOM 1321 C ALA A 79 -6.037 -1.317 8.187 1.00 0.00 C ATOM 1322 O ALA A 79 -5.758 -2.486 7.999 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.546 0.509 7.384 1.00 0.00 C ATOM 0 H ALA A 79 -3.744 -1.979 9.009 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.413 0.376 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.411 1.010 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.808 1.253 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.106 -0.163 6.646 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.252 -0.863 8.034 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.373 -1.757 7.618 1.00 0.00 C ATOM 1331 C ILE A 80 -9.186 -1.060 6.529 1.00 0.00 C ATOM 1332 O ILE A 80 -9.328 0.150 6.520 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.284 -2.047 8.819 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.492 -2.799 9.892 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.463 -2.907 8.361 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.329 -2.920 11.171 1.00 0.00 C ATOM 0 H ILE A 80 -7.520 0.110 8.183 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.967 -2.696 7.241 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.653 -1.108 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.222 -3.791 9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.561 -2.273 10.105 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.113 -3.116 9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.027 -2.374 7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.091 -3.845 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.759 -3.456 11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.577 -1.924 11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.247 -3.466 10.955 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.725 -1.818 5.611 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.535 -1.197 4.522 1.00 0.00 C ATOM 1350 C GLY A 81 -11.127 -2.269 3.610 1.00 0.00 C ATOM 1351 O GLY A 81 -10.732 -3.421 3.629 1.00 0.00 O ATOM 0 H GLY A 81 -9.640 -2.834 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.336 -0.598 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.911 -0.521 3.938 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.073 -1.877 2.799 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.715 -2.828 1.849 1.00 0.00 C ATOM 1357 C PHE A 82 -13.091 -2.087 0.575 1.00 0.00 C ATOM 1358 O PHE A 82 -13.272 -0.884 0.568 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.969 -3.448 2.479 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.028 -2.394 2.708 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.040 -1.658 3.898 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.008 -2.161 1.734 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.028 -0.690 4.115 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.998 -1.195 1.951 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.006 -0.458 3.141 1.00 0.00 C ATOM 0 H PHE A 82 -12.432 -0.923 2.755 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.012 -3.628 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.361 -4.229 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.710 -3.922 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.286 -1.837 4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.000 -2.727 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.035 -0.122 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.755 -1.019 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.767 0.290 3.308 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.197 -2.805 -0.510 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.547 -2.175 -1.818 1.00 0.00 C ATOM 1377 C ILE A 83 -14.978 -2.544 -2.194 1.00 0.00 C ATOM 1378 O ILE A 83 -15.337 -3.702 -2.274 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.586 -2.679 -2.901 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.147 -2.650 -2.366 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.693 -1.771 -4.126 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.168 -2.971 -3.502 1.00 0.00 C ATOM 0 H ILE A 83 -13.054 -3.814 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.463 -1.092 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.847 -3.701 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.924 -1.669 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.034 -3.374 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.012 -2.123 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.715 -1.790 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.428 -0.751 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.147 -2.950 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.386 -3.962 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.274 -2.230 -4.294 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.794 -1.550 -2.415 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.220 -1.791 -2.779 1.00 0.00 C ATOM 1396 C ASP A 84 -17.382 -1.880 -4.295 1.00 0.00 C ATOM 1397 O ASP A 84 -16.426 -1.831 -5.048 1.00 0.00 O ATOM 1398 CB ASP A 84 -18.091 -0.649 -2.238 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.701 0.685 -2.891 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -16.947 0.665 -3.849 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -18.177 1.707 -2.418 1.00 0.00 O ATOM 0 H ASP A 84 -15.529 -0.567 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.535 -2.736 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.142 -0.862 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.976 -0.578 -1.156 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.601 -2.026 -4.734 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.891 -2.142 -6.189 1.00 0.00 C ATOM 1408 C GLU A 85 -18.491 -0.850 -6.903 1.00 0.00 C ATOM 1409 O GLU A 85 -18.081 -0.867 -8.048 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.400 -2.389 -6.378 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.653 -3.034 -7.743 1.00 0.00 C ATOM 1412 CD GLU A 85 -20.307 -2.036 -8.851 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -20.488 -0.850 -8.632 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -19.870 -2.477 -9.900 1.00 0.00 O ATOM 0 H GLU A 85 -19.424 -2.071 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.322 -2.971 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.774 -3.036 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.944 -1.447 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.049 -3.935 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.696 -3.338 -7.826 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.611 0.265 -6.234 1.00 0.00 N ATOM 1422 CA ASN A 86 -18.246 1.572 -6.859 1.00 0.00 C ATOM 1423 C ASN A 86 -16.722 1.723 -6.872 1.00 0.00 C ATOM 1424 O ASN A 86 -16.197 2.787 -7.136 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.883 2.714 -6.052 1.00 0.00 C ATOM 1426 CG ASN A 86 -18.681 4.040 -6.787 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -18.731 4.088 -8.000 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -18.453 5.128 -6.102 1.00 0.00 N ATOM 0 H ASN A 86 -18.949 0.328 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.615 1.608 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -19.947 2.523 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.435 2.765 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.317 6.016 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -18.411 5.090 -5.084 1.00 0.00 H new ATOM 1435 N HIS A 87 -16.018 0.651 -6.593 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.522 0.679 -6.585 1.00 0.00 C ATOM 1437 C HIS A 87 -14.023 1.699 -5.564 1.00 0.00 C ATOM 1438 O HIS A 87 -12.834 1.898 -5.401 1.00 0.00 O ATOM 1439 CB HIS A 87 -14.002 1.036 -7.982 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.500 0.945 -7.992 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.693 2.001 -7.598 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -11.646 -0.071 -8.341 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -10.414 1.600 -7.719 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -10.328 0.345 -8.168 1.00 0.00 N ATOM 0 H HIS A 87 -16.425 -0.256 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.149 -0.307 -6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.424 0.358 -8.724 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.319 2.043 -8.254 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -12.011 2.915 -7.275 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.950 -1.045 -8.696 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.561 2.218 -7.482 1.00 0.00 H new ATOM 1452 N ASP A 88 -14.928 2.341 -4.875 1.00 0.00 N ATOM 1453 CA ASP A 88 -14.537 3.359 -3.854 1.00 0.00 C ATOM 1454 C ASP A 88 -13.837 2.681 -2.682 1.00 0.00 C ATOM 1455 O ASP A 88 -14.248 1.640 -2.206 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.790 4.087 -3.358 1.00 0.00 C ATOM 1457 CG ASP A 88 -15.395 5.175 -2.355 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -14.225 5.245 -2.015 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -16.270 5.916 -1.942 1.00 0.00 O ATOM 0 H ASP A 88 -15.933 2.203 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.852 4.077 -4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.321 4.531 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.472 3.378 -2.889 1.00 0.00 H new ATOM 1464 N MET A 89 -12.773 3.278 -2.219 1.00 0.00 N ATOM 1465 CA MET A 89 -12.006 2.699 -1.079 1.00 0.00 C ATOM 1466 C MET A 89 -12.594 3.197 0.234 1.00 0.00 C ATOM 1467 O MET A 89 -12.664 4.381 0.499 1.00 0.00 O ATOM 1468 CB MET A 89 -10.536 3.127 -1.181 1.00 0.00 C ATOM 1469 CG MET A 89 -9.926 2.586 -2.480 1.00 0.00 C ATOM 1470 SD MET A 89 -9.967 0.776 -2.474 1.00 0.00 S ATOM 1471 CE MET A 89 -8.779 0.510 -1.132 1.00 0.00 C ATOM 0 H MET A 89 -12.398 4.153 -2.586 1.00 0.00 H new ATOM 0 HA MET A 89 -12.069 1.611 -1.113 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.462 4.214 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.978 2.752 -0.323 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.479 2.968 -3.338 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.898 2.935 -2.582 1.00 0.00 H new ATOM 0 HE1 MET A 89 -8.294 -0.458 -1.262 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.026 1.298 -1.151 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.301 0.529 -0.175 1.00 0.00 H new ATOM 1481 N ASP A 90 -13.020 2.277 1.054 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.625 2.632 2.373 1.00 0.00 C ATOM 1483 C ASP A 90 -12.640 2.325 3.497 1.00 0.00 C ATOM 1484 O ASP A 90 -12.280 1.188 3.740 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.905 1.821 2.575 1.00 0.00 C ATOM 1486 CG ASP A 90 -16.001 2.364 1.653 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.825 3.451 1.129 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.999 1.681 1.487 1.00 0.00 O ATOM 0 H ASP A 90 -12.974 1.276 0.864 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.859 3.696 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.720 0.769 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.226 1.881 3.615 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.209 3.347 4.188 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.247 3.170 5.318 1.00 0.00 C ATOM 1495 C PHE A 91 -11.985 3.309 6.646 1.00 0.00 C ATOM 1496 O PHE A 91 -12.586 4.326 6.940 1.00 0.00 O ATOM 1497 CB PHE A 91 -10.156 4.239 5.229 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.210 3.897 4.105 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.207 2.942 4.307 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.331 4.534 2.863 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.325 2.623 3.269 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.448 4.215 1.825 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.445 3.260 2.027 1.00 0.00 C ATOM 0 H PHE A 91 -12.487 4.313 4.015 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.795 2.180 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.604 5.218 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.612 4.298 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.114 2.451 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.105 5.271 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.552 1.886 3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.541 4.706 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.764 3.014 1.226 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.937 2.281 7.450 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.624 2.304 8.776 1.00 0.00 C ATOM 1515 C LEU A 92 -11.585 2.525 9.877 1.00 0.00 C ATOM 1516 O LEU A 92 -11.900 3.006 10.946 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.314 0.957 9.003 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.194 0.623 7.793 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.872 -0.735 8.008 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.261 1.712 7.618 1.00 0.00 C ATOM 0 H LEU A 92 -11.444 1.413 7.242 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.360 3.108 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.569 0.175 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.921 0.995 9.908 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.575 0.577 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.497 -0.970 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.111 -1.507 8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.490 -0.695 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.886 1.474 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.880 1.762 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.776 2.675 7.458 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.348 2.184 9.622 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.286 2.384 10.652 1.00 0.00 C ATOM 1534 C TYR A 93 -7.933 2.543 9.971 1.00 0.00 C ATOM 1535 O TYR A 93 -7.414 1.630 9.356 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.248 1.189 11.603 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.121 1.369 12.595 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.280 2.231 13.689 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -6.918 0.673 12.424 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.236 2.395 14.609 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -5.876 0.836 13.344 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.035 1.697 14.437 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.007 1.857 15.345 1.00 0.00 O ATOM 0 H TYR A 93 -10.028 1.775 8.744 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.510 3.285 11.223 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.199 1.099 12.129 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.107 0.267 11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.207 2.769 13.823 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.794 0.009 11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.358 3.060 15.451 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.949 0.298 13.211 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.350 1.140 15.225 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.359 3.709 10.093 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.029 3.988 9.480 1.00 0.00 C ATOM 1555 C LEU A 94 -5.011 4.228 10.588 1.00 0.00 C ATOM 1556 O LEU A 94 -5.178 5.082 11.437 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.134 5.231 8.584 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.800 5.483 7.868 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.458 4.299 6.944 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.909 6.768 7.037 1.00 0.00 C ATOM 0 H LEU A 94 -7.764 4.495 10.602 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.711 3.139 8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.928 5.093 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.402 6.100 9.185 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.009 5.588 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.509 4.491 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.378 3.387 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.245 4.180 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.964 6.952 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.705 6.658 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.136 7.608 7.694 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.950 3.468 10.576 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.888 3.622 11.611 1.00 0.00 C ATOM 1574 C HIS A 95 -1.522 3.358 10.985 1.00 0.00 C ATOM 1575 O HIS A 95 -1.141 2.231 10.732 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.128 2.647 12.764 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.987 2.751 13.740 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.963 3.676 13.584 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -1.695 2.060 14.890 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.112 3.517 14.615 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.511 2.546 15.441 1.00 0.00 N ATOM 0 H HIS A 95 -3.772 2.739 9.885 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.917 4.639 12.001 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.071 2.877 13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.207 1.628 12.385 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.292 1.261 15.304 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.784 4.103 14.757 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.048 2.228 16.293 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.789 4.406 10.746 1.00 0.00 N ATOM 1590 CA ASN A 96 0.566 4.275 10.142 1.00 0.00 C ATOM 1591 C ASN A 96 1.531 3.691 11.169 1.00 0.00 C ATOM 1592 O ASN A 96 1.245 3.631 12.350 1.00 0.00 O ATOM 1593 CB ASN A 96 1.058 5.657 9.703 1.00 0.00 C ATOM 1594 CG ASN A 96 2.285 5.503 8.807 1.00 0.00 C ATOM 1595 OD1 ASN A 96 2.439 4.506 8.131 1.00 0.00 O ATOM 1596 ND2 ASN A 96 3.176 6.456 8.775 1.00 0.00 N ATOM 0 H ASN A 96 -1.075 5.364 10.947 1.00 0.00 H new ATOM 0 HA ASN A 96 0.518 3.612 9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.267 6.182 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.306 6.260 10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.001 6.363 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.047 7.294 9.342 1.00 0.00 H new ATOM 1603 N THR A 97 2.668 3.250 10.710 1.00 0.00 N ATOM 1604 CA THR A 97 3.685 2.642 11.616 1.00 0.00 C ATOM 1605 C THR A 97 4.137 3.671 12.650 1.00 0.00 C ATOM 1606 O THR A 97 4.271 3.367 13.821 1.00 0.00 O ATOM 1607 CB THR A 97 4.896 2.192 10.786 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.487 1.191 9.863 1.00 0.00 O ATOM 1609 CG2 THR A 97 5.968 1.623 11.715 1.00 0.00 C ATOM 0 H THR A 97 2.941 3.285 9.728 1.00 0.00 H new ATOM 0 HA THR A 97 3.247 1.785 12.128 1.00 0.00 H new ATOM 0 HB THR A 97 5.304 3.044 10.243 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.257 0.903 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.828 1.304 11.126 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.279 2.390 12.424 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.563 0.769 12.258 1.00 0.00 H new ATOM 1617 N VAL A 98 4.386 4.877 12.222 1.00 0.00 N ATOM 1618 CA VAL A 98 4.842 5.939 13.162 1.00 0.00 C ATOM 1619 C VAL A 98 3.653 6.455 13.971 1.00 0.00 C ATOM 1620 O VAL A 98 3.505 6.137 15.136 1.00 0.00 O ATOM 1621 CB VAL A 98 5.452 7.098 12.359 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.793 8.253 13.302 1.00 0.00 C ATOM 1623 CG2 VAL A 98 6.730 6.624 11.660 1.00 0.00 C ATOM 0 H VAL A 98 4.292 5.175 11.251 1.00 0.00 H new ATOM 0 HA VAL A 98 5.589 5.527 13.840 1.00 0.00 H new ATOM 0 HB VAL A 98 4.732 7.435 11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.226 9.074 12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.886 8.596 13.800 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.511 7.913 14.049 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.161 7.448 11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.448 6.284 12.406 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.492 5.802 10.985 1.00 0.00 H new ATOM 1633 N MET A 99 2.804 7.252 13.361 1.00 0.00 N ATOM 1634 CA MET A 99 1.618 7.803 14.089 1.00 0.00 C ATOM 1635 C MET A 99 0.366 7.721 13.197 1.00 0.00 C ATOM 1636 O MET A 99 0.441 7.896 11.995 1.00 0.00 O ATOM 1637 CB MET A 99 1.872 9.268 14.459 1.00 0.00 C ATOM 1638 CG MET A 99 2.006 10.119 13.188 1.00 0.00 C ATOM 1639 SD MET A 99 2.751 11.716 13.610 1.00 0.00 S ATOM 1640 CE MET A 99 2.590 12.486 11.978 1.00 0.00 C ATOM 0 H MET A 99 2.884 7.544 12.387 1.00 0.00 H new ATOM 0 HA MET A 99 1.459 7.216 14.994 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.053 9.643 15.072 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.780 9.348 15.057 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.622 9.601 12.453 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.027 10.271 12.733 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.995 13.497 12.011 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.140 11.899 11.243 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.538 12.526 11.697 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.785 7.471 13.785 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.070 7.371 13.037 1.00 0.00 C ATOM 1652 C PRO A 100 -2.544 8.725 12.507 1.00 0.00 C ATOM 1653 O PRO A 100 -2.373 9.746 13.142 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.057 6.807 14.073 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.504 7.223 15.397 1.00 0.00 C ATOM 1656 CD PRO A 100 -0.987 7.253 15.232 1.00 0.00 C ATOM 0 HA PRO A 100 -1.974 6.744 12.150 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.060 7.206 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.131 5.722 13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.884 8.203 15.687 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.797 6.523 16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.538 8.052 15.822 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.532 6.319 15.562 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.149 8.727 11.349 1.00 0.00 N ATOM 1665 CA LEU A 101 -3.654 10.001 10.753 1.00 0.00 C ATOM 1666 C LEU A 101 -5.159 10.088 10.969 1.00 0.00 C ATOM 1667 O LEU A 101 -5.664 11.065 11.487 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.385 10.004 9.246 1.00 0.00 C ATOM 1669 CG LEU A 101 -1.906 9.716 8.978 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.660 9.701 7.466 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.041 10.804 9.627 1.00 0.00 C ATOM 0 H LEU A 101 -3.317 7.894 10.785 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.150 10.844 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.005 9.253 8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.659 10.970 8.821 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.642 8.747 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.607 9.496 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.272 8.926 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.925 10.671 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.011 10.595 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.302 11.775 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.217 10.816 10.703 1.00 0.00 H new ATOM 1683 N LEU A 102 -5.880 9.074 10.560 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.368 9.076 10.713 1.00 0.00 C ATOM 1685 C LEU A 102 -7.805 7.901 11.578 1.00 0.00 C ATOM 1686 O LEU A 102 -7.478 6.759 11.321 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.007 8.962 9.326 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.493 10.100 8.436 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.082 9.958 7.031 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -7.906 11.456 9.037 1.00 0.00 C ATOM 0 H LEU A 102 -5.497 8.236 10.122 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.685 10.001 11.194 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.764 7.998 8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.093 9.011 9.408 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.406 10.050 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.716 10.767 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.781 9.001 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.170 10.004 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.539 12.262 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.993 11.510 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.479 11.557 10.035 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.559 8.188 12.603 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.057 7.118 13.510 1.00 0.00 C ATOM 1704 C ASP A 103 -10.364 7.566 14.159 1.00 0.00 C ATOM 1705 O ASP A 103 -10.373 8.243 15.170 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.009 6.816 14.585 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.703 8.073 15.408 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.191 9.132 15.054 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.980 7.948 16.385 1.00 0.00 O ATOM 0 H ASP A 103 -8.855 9.132 12.853 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.238 6.211 12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.371 6.024 15.241 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.095 6.450 14.117 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.469 7.177 13.581 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.809 7.545 14.136 1.00 0.00 C ATOM 1716 C GLN A 104 -13.561 6.273 14.516 1.00 0.00 C ATOM 1717 O GLN A 104 -13.880 5.444 13.684 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.603 8.329 13.090 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.976 9.717 12.926 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.734 10.505 11.856 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.143 9.955 10.853 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -13.945 11.781 12.033 1.00 0.00 N ATOM 0 H GLN A 104 -11.502 6.610 12.734 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.681 8.168 15.021 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.598 7.799 12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.644 8.420 13.398 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.005 10.253 13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.927 9.621 12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.602 12.243 12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.453 12.316 11.329 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.843 6.122 15.777 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.577 4.922 16.265 1.00 0.00 C ATOM 1733 C ARG A 105 -16.000 4.930 15.710 1.00 0.00 C ATOM 1734 O ARG A 105 -16.570 3.894 15.425 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.635 4.947 17.796 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.247 4.664 18.362 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.312 4.673 19.890 1.00 0.00 C ATOM 1738 NE ARG A 105 -11.948 4.430 20.445 1.00 0.00 N ATOM 1739 CZ ARG A 105 -11.500 3.212 20.606 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.238 2.182 20.282 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -10.308 3.026 21.097 1.00 0.00 N ATOM 0 H ARG A 105 -13.592 6.791 16.504 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.059 4.023 15.930 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -14.989 5.918 18.141 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.345 4.202 18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.887 3.698 18.008 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.539 5.415 18.012 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.695 5.630 20.243 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.001 3.905 20.240 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.359 5.222 20.701 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.173 2.325 19.900 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.879 1.236 20.412 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.731 3.827 21.353 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.951 2.079 21.226 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.580 6.097 15.587 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.982 6.214 15.083 1.00 0.00 C ATOM 1757 C TYR A 106 -18.073 5.620 13.678 1.00 0.00 C ATOM 1758 O TYR A 106 -18.976 4.866 13.368 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.383 7.700 15.033 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.182 8.334 16.394 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.143 8.160 17.396 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.036 9.099 16.653 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -18.960 8.746 18.655 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.853 9.687 17.914 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.815 9.510 18.915 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.637 10.086 20.157 1.00 0.00 O ATOM 0 H TYR A 106 -16.135 6.986 15.818 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.653 5.673 15.750 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.784 8.222 14.287 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.425 7.794 14.728 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.028 7.573 17.198 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.293 9.236 15.881 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.703 8.609 19.427 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.970 10.276 18.112 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.791 10.581 20.170 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.139 5.954 12.833 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.140 5.418 11.447 1.00 0.00 C ATOM 1778 C LEU A 107 -16.930 3.907 11.497 1.00 0.00 C ATOM 1779 O LEU A 107 -17.503 3.161 10.725 1.00 0.00 O ATOM 1780 CB LEU A 107 -15.996 6.068 10.652 1.00 0.00 C ATOM 1781 CG LEU A 107 -15.958 5.499 9.227 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.303 5.757 8.529 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -14.832 6.173 8.440 1.00 0.00 C ATOM 0 H LEU A 107 -16.366 6.584 13.048 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.091 5.641 10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.134 7.149 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.045 5.884 11.151 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.778 4.425 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.272 5.352 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.103 5.273 9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.490 6.830 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.804 5.770 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.010 7.248 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.879 5.982 8.933 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.077 3.463 12.378 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.781 2.007 12.479 1.00 0.00 C ATOM 1797 C LEU A 108 -17.053 1.258 12.885 1.00 0.00 C ATOM 1798 O LEU A 108 -17.362 0.209 12.357 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.685 1.784 13.543 1.00 0.00 C ATOM 1800 CG LEU A 108 -13.863 0.543 13.179 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.767 0.320 14.220 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.779 -0.689 13.111 1.00 0.00 C ATOM 0 H LEU A 108 -15.568 4.052 13.038 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.434 1.633 11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.037 2.658 13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.138 1.657 14.526 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.400 0.697 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.187 -0.564 13.954 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.110 1.190 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.221 0.175 15.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.188 -1.568 12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.253 -0.844 14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.546 -0.531 12.353 1.00 0.00 H new ATOM 1814 N THR A 109 -17.787 1.788 13.830 1.00 0.00 N ATOM 1815 CA THR A 109 -19.039 1.110 14.289 1.00 0.00 C ATOM 1816 C THR A 109 -20.225 1.708 13.536 1.00 0.00 C ATOM 1817 O THR A 109 -21.351 1.275 13.684 1.00 0.00 O ATOM 1818 CB THR A 109 -19.218 1.321 15.799 1.00 0.00 C ATOM 1819 OG1 THR A 109 -19.471 2.694 16.067 1.00 0.00 O ATOM 1820 CG2 THR A 109 -17.951 0.884 16.539 1.00 0.00 C ATOM 0 H THR A 109 -17.573 2.664 14.306 1.00 0.00 H new ATOM 0 HA THR A 109 -18.978 0.040 14.089 1.00 0.00 H new ATOM 0 HB THR A 109 -20.062 0.723 16.142 1.00 0.00 H new ATOM 0 HG1 THR A 109 -18.650 3.211 15.929 1.00 0.00 H new ATOM 0 HG21 THR A 109 -18.084 1.036 17.610 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.761 -0.171 16.343 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.104 1.476 16.191 1.00 0.00 H new ATOM 1828 N GLY A 110 -19.971 2.696 12.719 1.00 0.00 N ATOM 1829 CA GLY A 110 -21.064 3.332 11.924 1.00 0.00 C ATOM 1830 C GLY A 110 -21.832 4.326 12.790 1.00 0.00 C ATOM 1831 O GLY A 110 -22.834 3.998 13.393 1.00 0.00 O ATOM 0 H GLY A 110 -19.044 3.094 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.644 3.842 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.742 2.567 11.546 1.00 0.00 H new ATOM 1835 N GLY A 111 -21.361 5.542 12.846 1.00 0.00 N ATOM 1836 CA GLY A 111 -22.036 6.590 13.662 1.00 0.00 C ATOM 1837 C GLY A 111 -23.433 6.867 13.122 1.00 0.00 C ATOM 1838 O GLY A 111 -23.738 6.611 11.972 1.00 0.00 O ATOM 0 H GLY A 111 -20.525 5.857 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.099 6.266 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.446 7.506 13.649 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.278 7.393 13.961 1.00 0.00 N ATOM 1843 CA GLN A 112 -25.673 7.705 13.553 1.00 0.00 C ATOM 1844 C GLN A 112 -25.680 8.740 12.438 1.00 0.00 C ATOM 1845 O GLN A 112 -24.651 9.243 12.026 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.452 8.251 14.755 1.00 0.00 C ATOM 1847 CG GLN A 112 -26.669 7.129 15.772 1.00 0.00 C ATOM 1848 CD GLN A 112 -27.396 7.679 17.000 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -26.896 8.553 17.678 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -28.566 7.196 17.319 1.00 0.00 N ATOM 0 H GLN A 112 -24.056 7.624 14.929 1.00 0.00 H new ATOM 0 HA GLN A 112 -26.144 6.790 13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -25.903 9.073 15.215 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -27.412 8.652 14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -27.252 6.325 15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -25.710 6.701 16.066 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -28.987 6.462 16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -29.059 7.553 18.137 1.00 0.00 H new ATOM 1859 N LEU A 113 -26.849 9.046 11.947 1.00 0.00 N ATOM 1860 CA LEU A 113 -26.987 10.039 10.842 1.00 0.00 C ATOM 1861 C LEU A 113 -27.068 11.444 11.440 1.00 0.00 C ATOM 1862 O LEU A 113 -27.126 12.427 10.728 1.00 0.00 O ATOM 1863 CB LEU A 113 -28.265 9.733 10.043 1.00 0.00 C ATOM 1864 CG LEU A 113 -28.006 8.564 9.084 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -27.664 7.300 9.882 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -29.256 8.309 8.235 1.00 0.00 C ATOM 0 H LEU A 113 -27.729 8.644 12.269 1.00 0.00 H new ATOM 0 HA LEU A 113 -26.126 9.980 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -29.080 9.485 10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -28.575 10.615 9.482 1.00 0.00 H new ATOM 0 HG LEU A 113 -27.168 8.816 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -27.481 6.474 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -26.771 7.478 10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -28.497 7.048 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -29.070 7.478 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -30.095 8.064 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -29.494 9.204 7.659 1.00 0.00 H new ATOM 1878 N GLU A 114 -27.064 11.543 12.741 1.00 0.00 N ATOM 1879 CA GLU A 114 -27.129 12.882 13.394 1.00 0.00 C ATOM 1880 C GLU A 114 -26.859 12.739 14.891 1.00 0.00 C ATOM 1881 O GLU A 114 -27.411 11.889 15.561 1.00 0.00 O ATOM 1882 CB GLU A 114 -28.509 13.508 13.165 1.00 0.00 C ATOM 1883 CG GLU A 114 -29.582 12.748 13.965 1.00 0.00 C ATOM 1884 CD GLU A 114 -29.626 13.256 15.412 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -29.472 14.450 15.608 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -29.821 12.439 16.298 1.00 0.00 O ATOM 0 H GLU A 114 -27.018 10.751 13.383 1.00 0.00 H new ATOM 0 HA GLU A 114 -26.371 13.532 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -28.495 14.555 13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -28.754 13.486 12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -30.557 12.880 13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -29.365 11.680 13.954 1.00 0.00 H new ATOM 1893 N HIS A 115 -26.007 13.574 15.417 1.00 0.00 N ATOM 1894 CA HIS A 115 -25.681 13.521 16.873 1.00 0.00 C ATOM 1895 C HIS A 115 -25.346 14.934 17.354 1.00 0.00 C ATOM 1896 O HIS A 115 -24.843 15.128 18.444 1.00 0.00 O ATOM 1897 CB HIS A 115 -24.482 12.599 17.097 1.00 0.00 C ATOM 1898 CG HIS A 115 -24.247 12.447 18.574 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -23.220 13.105 19.231 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -24.901 11.716 19.534 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -23.285 12.761 20.531 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -24.292 11.917 20.770 1.00 0.00 N ATOM 0 H HIS A 115 -25.516 14.300 14.895 1.00 0.00 H new ATOM 0 HA HIS A 115 -26.533 13.134 17.432 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -24.667 11.625 16.644 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -23.595 13.012 16.616 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -25.757 11.082 19.358 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.606 13.123 21.288 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -24.558 11.508 21.666 1.00 0.00 H new ATOM 1910 N HIS A 116 -25.622 15.920 16.543 1.00 0.00 N ATOM 1911 CA HIS A 116 -25.330 17.332 16.926 1.00 0.00 C ATOM 1912 C HIS A 116 -26.218 17.738 18.100 1.00 0.00 C ATOM 1913 O HIS A 116 -25.783 18.410 19.015 1.00 0.00 O ATOM 1914 CB HIS A 116 -25.627 18.244 15.732 1.00 0.00 C ATOM 1915 CG HIS A 116 -24.555 18.073 14.691 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -24.578 17.039 13.768 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -23.422 18.796 14.418 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -23.489 17.168 12.990 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -22.749 18.222 13.344 1.00 0.00 N ATOM 0 H HIS A 116 -26.042 15.806 15.621 1.00 0.00 H new ATOM 0 HA HIS A 116 -24.283 17.424 17.214 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -26.602 18.001 15.309 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -25.671 19.284 16.057 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -23.101 19.677 14.955 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -23.243 16.500 12.178 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -21.878 18.538 12.918 1.00 0.00 H new ATOM 1927 N HIS A 117 -27.463 17.338 18.076 1.00 0.00 N ATOM 1928 CA HIS A 117 -28.400 17.698 19.185 1.00 0.00 C ATOM 1929 C HIS A 117 -29.332 16.525 19.488 1.00 0.00 C ATOM 1930 O HIS A 117 -29.782 15.821 18.604 1.00 0.00 O ATOM 1931 CB HIS A 117 -29.231 18.916 18.777 1.00 0.00 C ATOM 1932 CG HIS A 117 -28.338 20.121 18.685 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -27.646 20.444 17.528 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -28.011 21.091 19.601 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -26.946 21.567 17.775 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -27.132 22.003 19.023 1.00 0.00 N ATOM 0 H HIS A 117 -27.874 16.774 17.332 1.00 0.00 H new ATOM 0 HA HIS A 117 -27.820 17.932 20.078 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -29.716 18.735 17.818 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -30.022 19.091 19.506 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -28.380 21.139 20.615 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -26.311 22.056 17.051 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -26.719 22.827 19.459 1.00 0.00 H new ATOM 1944 N HIS A 118 -29.624 16.326 20.744 1.00 0.00 N ATOM 1945 CA HIS A 118 -30.530 15.217 21.158 1.00 0.00 C ATOM 1946 C HIS A 118 -31.198 15.589 22.489 1.00 0.00 C ATOM 1947 O HIS A 118 -32.208 15.027 22.866 1.00 0.00 O ATOM 1948 CB HIS A 118 -29.719 13.927 21.325 1.00 0.00 C ATOM 1949 CG HIS A 118 -28.447 14.205 22.088 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -28.446 14.775 23.352 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -27.126 13.986 21.776 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -27.164 14.882 23.748 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -26.318 14.416 22.825 1.00 0.00 N ATOM 0 H HIS A 118 -29.268 16.894 21.513 1.00 0.00 H new ATOM 0 HA HIS A 118 -31.294 15.059 20.397 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -30.313 13.181 21.854 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -29.481 13.510 20.347 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -26.769 13.547 20.856 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -26.856 15.295 24.697 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -25.300 14.382 22.878 1.00 0.00 H new ATOM 1961 N HIS A 119 -30.638 16.536 23.198 1.00 0.00 N ATOM 1962 CA HIS A 119 -31.223 16.961 24.505 1.00 0.00 C ATOM 1963 C HIS A 119 -32.631 17.517 24.275 1.00 0.00 C ATOM 1964 O HIS A 119 -33.558 17.201 24.996 1.00 0.00 O ATOM 1965 CB HIS A 119 -30.330 18.045 25.122 1.00 0.00 C ATOM 1966 CG HIS A 119 -30.894 18.463 26.450 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -30.798 17.665 27.578 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -31.573 19.589 26.844 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -31.407 18.314 28.587 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -31.896 19.494 28.194 1.00 0.00 N ATOM 0 H HIS A 119 -29.793 17.037 22.924 1.00 0.00 H new ATOM 0 HA HIS A 119 -31.282 16.108 25.181 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -29.316 17.667 25.249 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -30.269 18.904 24.454 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -31.819 20.423 26.203 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -31.491 17.928 29.592 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -32.398 20.177 28.761 1.00 0.00 H new ATOM 1978 N HIS A 120 -32.787 18.336 23.266 1.00 0.00 N ATOM 1979 CA HIS A 120 -34.120 18.933 22.941 1.00 0.00 C ATOM 1980 C HIS A 120 -34.871 19.300 24.224 1.00 0.00 C ATOM 1981 O HIS A 120 -36.091 19.302 24.196 1.00 0.00 O ATOM 1982 CB HIS A 120 -34.935 17.931 22.116 1.00 0.00 C ATOM 1983 CG HIS A 120 -34.254 17.705 20.789 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -34.687 16.738 19.893 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -33.174 18.311 20.191 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -33.879 16.792 18.816 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -32.940 17.733 18.947 1.00 0.00 N ATOM 1988 OXT HIS A 120 -34.212 19.586 25.210 1.00 0.00 O ATOM 0 H HIS A 120 -32.033 18.622 22.642 1.00 0.00 H new ATOM 0 HA HIS A 120 -33.973 19.844 22.362 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -35.027 16.988 22.655 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -35.945 18.309 21.959 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -32.595 19.114 20.622 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -33.979 16.152 17.952 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -32.209 17.976 18.279 1.00 0.00 H new TER 1996 HIS A 120