USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 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 8 MET CE :methyl 140:sc= -0.28 (180deg=-0.909) USER MOD Set 1.2: A 14 THR OG1 : rot -92:sc= 1.13 USER MOD Set 1.3: A 19 ASN : amide:sc= 0.676 K(o=1.2,f=-2.9!) USER MOD Set 1.4: A 22 ASN : amide:sc= -0.372 X(o=1.2,f=1.6) USER MOD Set 2.1: A 6 SER OG : rot 107:sc= 1.02 USER MOD Set 2.2: A 10 SER OG : rot 62:sc= 0.00243 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.64 K(o=-0.64,f=0) USER MOD Single : A -4 LYS NZ :NH3+ -166:sc= 0.704 (180deg=0.525) USER MOD Single : A -5 TYR OH : rot -16:sc= 1.05 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -119:sc= 0.0908 (180deg=-0.0645) USER MOD Single : A 17 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= -0.0157 (180deg=-0.101) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -100:sc= -1.63! USER MOD Single : A 42 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.3!) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.136 (180deg=-0.616) USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0.291 (180deg=-0.226) USER MOD Single : A 56 MET CE :methyl 161:sc= -0.138 (180deg=-0.621) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 25:sc= 0.533 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0245 (180deg=-0.192) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -7.878 -24.038 36.208 1.00 20.00 N ATOM 2 CA MET A -7 -8.162 -25.105 35.221 1.00 20.00 C ATOM 3 C MET A -7 -8.831 -24.519 33.986 1.00 20.00 C ATOM 4 O MET A -7 -9.389 -23.423 34.036 1.00 20.00 O ATOM 5 CB MET A -7 -9.065 -26.181 35.832 1.00 20.00 C ATOM 6 CG MET A -7 -8.420 -26.968 36.961 1.00 20.00 C ATOM 7 SD MET A -7 -9.521 -28.227 37.634 1.00 20.00 S ATOM 8 CE MET A -7 -8.493 -28.927 38.920 1.00 20.00 C ATOM 0 H1 MET A -7 -6.853 -23.984 36.376 1.00 20.00 H new ATOM 0 H2 MET A -7 -8.217 -23.126 35.840 1.00 20.00 H new ATOM 0 H3 MET A -7 -8.364 -24.253 37.102 1.00 20.00 H new ATOM 0 HA MET A -7 -7.215 -25.561 34.934 1.00 20.00 H new ATOM 0 HB2 MET A -7 -9.973 -25.708 36.206 1.00 20.00 H new ATOM 0 HB3 MET A -7 -9.367 -26.874 35.047 1.00 20.00 H new ATOM 0 HG2 MET A -7 -7.509 -27.443 36.596 1.00 20.00 H new ATOM 0 HG3 MET A -7 -8.126 -26.283 37.756 1.00 20.00 H new ATOM 0 HE1 MET A -7 -9.038 -29.722 39.429 1.00 20.00 H new ATOM 0 HE2 MET A -7 -7.584 -29.335 38.478 1.00 20.00 H new ATOM 0 HE3 MET A -7 -8.230 -28.151 39.638 1.00 20.00 H new ATOM 20 N ASP A -6 -8.775 -25.252 32.885 1.00 20.00 N ATOM 21 CA ASP A -6 -9.387 -24.807 31.639 1.00 20.00 C ATOM 22 C ASP A -6 -10.366 -25.853 31.120 1.00 20.00 C ATOM 23 O ASP A -6 -10.006 -27.015 30.939 1.00 20.00 O ATOM 24 CB ASP A -6 -8.314 -24.525 30.585 1.00 20.00 C ATOM 25 CG ASP A -6 -8.904 -24.200 29.226 1.00 20.00 C ATOM 26 OD1 ASP A -6 -9.433 -23.084 29.052 1.00 20.00 O ATOM 27 OD2 ASP A -6 -8.837 -25.063 28.324 1.00 20.00 O ATOM 0 H ASP A -6 -8.312 -26.159 32.827 1.00 20.00 H new ATOM 0 HA ASP A -6 -9.933 -23.885 31.838 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -7.694 -23.692 30.917 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -7.661 -25.393 30.495 1.00 20.00 H new ATOM 32 N TYR A -5 -11.606 -25.440 30.908 1.00 20.00 N ATOM 33 CA TYR A -5 -12.640 -26.331 30.394 1.00 20.00 C ATOM 34 C TYR A -5 -13.319 -25.699 29.187 1.00 20.00 C ATOM 35 O TYR A -5 -14.084 -24.747 29.327 1.00 20.00 O ATOM 36 CB TYR A -5 -13.686 -26.639 31.475 1.00 20.00 C ATOM 37 CG TYR A -5 -13.162 -27.466 32.629 1.00 20.00 C ATOM 38 CD1 TYR A -5 -12.496 -26.871 33.692 1.00 20.00 C ATOM 39 CD2 TYR A -5 -13.336 -28.844 32.653 1.00 20.00 C ATOM 40 CE1 TYR A -5 -12.019 -27.625 34.746 1.00 20.00 C ATOM 41 CE2 TYR A -5 -12.860 -29.604 33.705 1.00 20.00 C ATOM 42 CZ TYR A -5 -12.203 -28.990 34.747 1.00 20.00 C ATOM 43 OH TYR A -5 -11.722 -29.741 35.796 1.00 20.00 O ATOM 0 H TYR A -5 -11.924 -24.487 31.085 1.00 20.00 H new ATOM 0 HA TYR A -5 -12.166 -27.266 30.095 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -14.077 -25.699 31.865 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -14.522 -27.166 31.016 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -12.349 -25.801 33.695 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -13.851 -29.329 31.837 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -11.504 -27.147 35.566 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -13.003 -30.674 33.709 1.00 20.00 H new ATOM 0 HH TYR A -5 -11.073 -29.213 36.306 1.00 20.00 H new ATOM 53 N LYS A -4 -13.026 -26.216 28.005 1.00 20.00 N ATOM 54 CA LYS A -4 -13.611 -25.698 26.777 1.00 20.00 C ATOM 55 C LYS A -4 -14.862 -26.479 26.402 1.00 20.00 C ATOM 56 O LYS A -4 -14.941 -27.089 25.338 1.00 20.00 O ATOM 57 CB LYS A -4 -12.587 -25.726 25.643 1.00 20.00 C ATOM 58 CG LYS A -4 -11.547 -24.620 25.744 1.00 20.00 C ATOM 59 CD LYS A -4 -12.167 -23.254 25.482 1.00 20.00 C ATOM 60 CE LYS A -4 -11.166 -22.130 25.684 1.00 20.00 C ATOM 61 NZ LYS A -4 -10.814 -21.948 27.116 1.00 20.00 N ATOM 0 H LYS A -4 -12.384 -26.997 27.869 1.00 20.00 H new ATOM 0 HA LYS A -4 -13.903 -24.662 26.946 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -12.081 -26.692 25.643 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -13.108 -25.639 24.690 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -11.094 -24.633 26.736 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -10.747 -24.803 25.026 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -12.551 -23.219 24.463 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -13.017 -23.107 26.148 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -10.262 -22.343 25.113 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -11.580 -21.201 25.292 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -10.325 -21.039 27.240 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -11.681 -21.956 27.690 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -10.189 -22.722 27.421 1.00 20.00 H new ATOM 75 N ASP A -3 -15.835 -26.450 27.298 1.00 20.00 N ATOM 76 CA ASP A -3 -17.107 -27.130 27.089 1.00 20.00 C ATOM 77 C ASP A -3 -18.136 -26.162 26.523 1.00 20.00 C ATOM 78 O ASP A -3 -19.248 -26.552 26.157 1.00 20.00 O ATOM 79 CB ASP A -3 -17.617 -27.703 28.415 1.00 20.00 C ATOM 80 CG ASP A -3 -17.876 -26.622 29.449 1.00 20.00 C ATOM 81 OD1 ASP A -3 -16.898 -26.063 29.988 1.00 20.00 O ATOM 82 OD2 ASP A -3 -19.057 -26.321 29.726 1.00 20.00 O ATOM 0 H ASP A -3 -15.768 -25.957 28.188 1.00 20.00 H new ATOM 0 HA ASP A -3 -16.955 -27.943 26.378 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -18.537 -28.260 28.237 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -16.886 -28.410 28.807 1.00 20.00 H new ATOM 87 N ASP A -2 -17.753 -24.897 26.456 1.00 20.00 N ATOM 88 CA ASP A -2 -18.644 -23.844 25.988 1.00 20.00 C ATOM 89 C ASP A -2 -18.003 -23.068 24.848 1.00 20.00 C ATOM 90 O ASP A -2 -18.679 -22.701 23.886 1.00 20.00 O ATOM 91 CB ASP A -2 -18.978 -22.895 27.142 1.00 20.00 C ATOM 92 CG ASP A -2 -19.939 -21.793 26.742 1.00 20.00 C ATOM 93 OD1 ASP A -2 -21.156 -22.066 26.637 1.00 20.00 O ATOM 94 OD2 ASP A -2 -19.495 -20.641 26.565 1.00 20.00 O ATOM 0 H ASP A -2 -16.824 -24.571 26.722 1.00 20.00 H new ATOM 0 HA ASP A -2 -19.562 -24.303 25.621 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -19.411 -23.467 27.962 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -18.057 -22.448 27.516 1.00 20.00 H new ATOM 99 N ASP A -1 -16.699 -22.845 24.956 1.00 20.00 N ATOM 100 CA ASP A -1 -15.952 -22.077 23.962 1.00 20.00 C ATOM 101 C ASP A -1 -16.549 -20.685 23.803 1.00 20.00 C ATOM 102 O ASP A -1 -17.255 -20.392 22.831 1.00 20.00 O ATOM 103 CB ASP A -1 -15.904 -22.795 22.609 1.00 20.00 C ATOM 104 CG ASP A -1 -14.803 -23.830 22.535 1.00 20.00 C ATOM 105 OD1 ASP A -1 -13.636 -23.446 22.294 1.00 20.00 O ATOM 106 OD2 ASP A -1 -15.093 -25.031 22.698 1.00 20.00 O ATOM 0 H ASP A -1 -16.130 -23.188 25.730 1.00 20.00 H new ATOM 0 HA ASP A -1 -14.928 -21.983 24.323 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -16.864 -23.278 22.424 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -15.760 -22.060 21.817 1.00 20.00 H new ATOM 111 N ASP A 0 -16.251 -19.828 24.767 1.00 20.00 N ATOM 112 CA ASP A 0 -16.820 -18.490 24.809 1.00 20.00 C ATOM 113 C ASP A 0 -16.166 -17.577 23.777 1.00 20.00 C ATOM 114 O ASP A 0 -16.717 -16.546 23.416 1.00 20.00 O ATOM 115 CB ASP A 0 -16.668 -17.897 26.210 1.00 20.00 C ATOM 116 CG ASP A 0 -17.409 -16.586 26.371 1.00 20.00 C ATOM 117 OD1 ASP A 0 -18.645 -16.615 26.543 1.00 20.00 O ATOM 118 OD2 ASP A 0 -16.760 -15.519 26.337 1.00 20.00 O ATOM 0 H ASP A 0 -15.614 -20.037 25.536 1.00 20.00 H new ATOM 0 HA ASP A 0 -17.880 -18.567 24.566 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -17.038 -18.612 26.945 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -15.610 -17.741 26.422 1.00 20.00 H new ATOM 123 N LYS A 1 -14.995 -17.962 23.298 1.00 20.00 N ATOM 124 CA LYS A 1 -14.286 -17.163 22.304 1.00 20.00 C ATOM 125 C LYS A 1 -14.691 -17.586 20.894 1.00 20.00 C ATOM 126 O LYS A 1 -14.507 -16.844 19.925 1.00 20.00 O ATOM 127 CB LYS A 1 -12.771 -17.311 22.477 1.00 20.00 C ATOM 128 CG LYS A 1 -11.962 -16.378 21.586 1.00 20.00 C ATOM 129 CD LYS A 1 -10.480 -16.716 21.609 1.00 20.00 C ATOM 130 CE LYS A 1 -9.901 -16.650 23.013 1.00 20.00 C ATOM 131 NZ LYS A 1 -8.433 -16.872 23.009 1.00 20.00 N ATOM 0 H LYS A 1 -14.515 -18.817 23.577 1.00 20.00 H new ATOM 0 HA LYS A 1 -14.556 -16.117 22.451 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -12.512 -17.120 23.519 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -12.488 -18.341 22.262 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -12.333 -16.441 20.563 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -12.105 -15.348 21.914 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -10.330 -17.716 21.202 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -9.941 -16.024 20.962 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -10.121 -15.677 23.453 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -10.381 -17.400 23.641 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -8.071 -16.820 23.983 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -8.225 -17.810 22.612 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -7.973 -16.141 22.430 1.00 20.00 H new ATOM 145 N ASN A 2 -15.262 -18.774 20.794 1.00 20.00 N ATOM 146 CA ASN A 2 -15.611 -19.354 19.505 1.00 20.00 C ATOM 147 C ASN A 2 -16.912 -18.761 18.967 1.00 20.00 C ATOM 148 O ASN A 2 -18.003 -19.235 19.295 1.00 20.00 O ATOM 149 CB ASN A 2 -15.734 -20.875 19.633 1.00 20.00 C ATOM 150 CG ASN A 2 -16.010 -21.568 18.309 1.00 20.00 C ATOM 151 OD1 ASN A 2 -16.740 -22.556 18.261 1.00 20.00 O ATOM 152 ND2 ASN A 2 -15.409 -21.081 17.232 1.00 20.00 N ATOM 0 H ASN A 2 -15.496 -19.361 21.595 1.00 20.00 H new ATOM 0 HA ASN A 2 -14.817 -19.117 18.797 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -14.813 -21.273 20.059 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -16.536 -21.110 20.333 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -15.546 -21.528 16.326 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -14.810 -20.259 17.310 1.00 20.00 H new ATOM 159 N ARG A 3 -16.775 -17.706 18.161 1.00 20.00 N ATOM 160 CA ARG A 3 -17.901 -17.086 17.457 1.00 20.00 C ATOM 161 C ARG A 3 -18.960 -16.551 18.422 1.00 20.00 C ATOM 162 O ARG A 3 -20.149 -16.827 18.267 1.00 20.00 O ATOM 163 CB ARG A 3 -18.538 -18.075 16.471 1.00 20.00 C ATOM 164 CG ARG A 3 -17.627 -18.486 15.320 1.00 20.00 C ATOM 165 CD ARG A 3 -17.274 -17.303 14.426 1.00 20.00 C ATOM 166 NE ARG A 3 -16.460 -17.711 13.282 1.00 20.00 N ATOM 167 CZ ARG A 3 -15.964 -16.870 12.373 1.00 20.00 C ATOM 168 NH1 ARG A 3 -16.203 -15.568 12.461 1.00 20.00 N ATOM 169 NH2 ARG A 3 -15.230 -17.336 11.372 1.00 20.00 N ATOM 0 H ARG A 3 -15.878 -17.256 17.977 1.00 20.00 H new ATOM 0 HA ARG A 3 -17.500 -16.238 16.902 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -18.842 -18.969 17.016 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -19.444 -17.629 16.061 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -16.713 -18.925 15.719 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -18.118 -19.257 14.726 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -18.189 -16.830 14.071 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -16.734 -16.556 15.008 1.00 20.00 H new ATOM 0 HE ARG A 3 -16.258 -18.705 13.172 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -16.769 -15.204 13.227 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -15.820 -14.931 11.762 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -15.045 -18.336 11.298 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -14.850 -16.694 10.676 1.00 20.00 H new ATOM 183 N ALA A 4 -18.533 -15.774 19.406 1.00 20.00 N ATOM 184 CA ALA A 4 -19.464 -15.150 20.337 1.00 20.00 C ATOM 185 C ALA A 4 -19.586 -13.663 20.041 1.00 20.00 C ATOM 186 O ALA A 4 -19.852 -12.851 20.930 1.00 20.00 O ATOM 187 CB ALA A 4 -19.018 -15.378 21.769 1.00 20.00 C ATOM 0 H ALA A 4 -17.551 -15.560 19.581 1.00 20.00 H new ATOM 0 HA ALA A 4 -20.445 -15.609 20.210 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -19.725 -14.905 22.450 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -18.979 -16.448 21.972 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -18.028 -14.945 21.915 1.00 20.00 H new ATOM 193 N LEU A 5 -19.373 -13.317 18.782 1.00 20.00 N ATOM 194 CA LEU A 5 -19.469 -11.941 18.331 1.00 20.00 C ATOM 195 C LEU A 5 -20.099 -11.897 16.946 1.00 20.00 C ATOM 196 O LEU A 5 -19.686 -12.628 16.044 1.00 20.00 O ATOM 197 CB LEU A 5 -18.081 -11.292 18.299 1.00 20.00 C ATOM 198 CG LEU A 5 -18.035 -9.846 17.786 1.00 20.00 C ATOM 199 CD1 LEU A 5 -18.846 -8.918 18.680 1.00 20.00 C ATOM 200 CD2 LEU A 5 -16.595 -9.364 17.691 1.00 20.00 C ATOM 0 H LEU A 5 -19.129 -13.981 18.047 1.00 20.00 H new ATOM 0 HA LEU A 5 -20.096 -11.384 19.027 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -17.666 -11.314 19.307 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -17.429 -11.901 17.673 1.00 20.00 H new ATOM 0 HG LEU A 5 -18.480 -9.828 16.791 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -18.794 -7.901 18.291 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -19.885 -9.247 18.699 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -18.440 -8.941 19.691 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -16.578 -8.337 17.326 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -16.131 -9.406 18.677 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -16.042 -10.003 17.002 1.00 20.00 H new ATOM 212 N SER A 6 -21.108 -11.054 16.793 1.00 20.00 N ATOM 213 CA SER A 6 -21.791 -10.897 15.525 1.00 20.00 C ATOM 214 C SER A 6 -20.871 -10.246 14.489 1.00 20.00 C ATOM 215 O SER A 6 -20.195 -9.255 14.783 1.00 20.00 O ATOM 216 CB SER A 6 -23.052 -10.054 15.726 1.00 20.00 C ATOM 217 OG SER A 6 -22.751 -8.832 16.385 1.00 20.00 O ATOM 0 H SER A 6 -21.472 -10.464 17.541 1.00 20.00 H new ATOM 0 HA SER A 6 -22.073 -11.881 15.151 1.00 20.00 H new ATOM 0 HB2 SER A 6 -23.512 -9.846 14.760 1.00 20.00 H new ATOM 0 HB3 SER A 6 -23.780 -10.616 16.311 1.00 20.00 H new ATOM 0 HG SER A 6 -22.808 -8.092 15.745 1.00 20.00 H new ATOM 223 N PRO A 7 -20.821 -10.806 13.265 1.00 20.00 N ATOM 224 CA PRO A 7 -20.022 -10.249 12.166 1.00 20.00 C ATOM 225 C PRO A 7 -20.631 -8.964 11.614 1.00 20.00 C ATOM 226 O PRO A 7 -20.060 -8.307 10.745 1.00 20.00 O ATOM 227 CB PRO A 7 -20.048 -11.356 11.107 1.00 20.00 C ATOM 228 CG PRO A 7 -21.308 -12.103 11.373 1.00 20.00 C ATOM 229 CD PRO A 7 -21.526 -12.039 12.862 1.00 20.00 C ATOM 0 HA PRO A 7 -19.016 -9.977 12.485 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -20.039 -10.940 10.099 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -19.177 -12.006 11.192 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -22.146 -11.657 10.837 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -21.227 -13.136 11.035 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -22.586 -11.993 13.110 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -21.118 -12.916 13.365 1.00 20.00 H new ATOM 237 N MET A 8 -21.806 -8.632 12.119 1.00 20.00 N ATOM 238 CA MET A 8 -22.489 -7.403 11.761 1.00 20.00 C ATOM 239 C MET A 8 -23.054 -6.755 13.012 1.00 20.00 C ATOM 240 O MET A 8 -23.112 -7.382 14.072 1.00 20.00 O ATOM 241 CB MET A 8 -23.620 -7.677 10.766 1.00 20.00 C ATOM 242 CG MET A 8 -23.139 -8.054 9.375 1.00 20.00 C ATOM 243 SD MET A 8 -24.494 -8.260 8.202 1.00 20.00 S ATOM 244 CE MET A 8 -25.256 -6.638 8.270 1.00 20.00 C ATOM 0 H MET A 8 -22.314 -9.209 12.790 1.00 20.00 H new ATOM 0 HA MET A 8 -21.772 -6.732 11.289 1.00 20.00 H new ATOM 0 HB2 MET A 8 -24.245 -8.481 11.154 1.00 20.00 H new ATOM 0 HB3 MET A 8 -24.250 -6.790 10.694 1.00 20.00 H new ATOM 0 HG2 MET A 8 -22.460 -7.284 9.008 1.00 20.00 H new ATOM 0 HG3 MET A 8 -22.568 -8.981 9.431 1.00 20.00 H new ATOM 0 HE1 MET A 8 -25.555 -6.334 7.267 1.00 20.00 H new ATOM 0 HE2 MET A 8 -26.134 -6.675 8.915 1.00 20.00 H new ATOM 0 HE3 MET A 8 -24.543 -5.917 8.670 1.00 20.00 H new ATOM 254 N VAL A 9 -23.452 -5.501 12.894 1.00 20.00 N ATOM 255 CA VAL A 9 -24.096 -4.806 13.996 1.00 20.00 C ATOM 256 C VAL A 9 -25.463 -5.425 14.281 1.00 20.00 C ATOM 257 O VAL A 9 -26.283 -5.593 13.375 1.00 20.00 O ATOM 258 CB VAL A 9 -24.243 -3.291 13.718 1.00 20.00 C ATOM 259 CG1 VAL A 9 -22.889 -2.604 13.798 1.00 20.00 C ATOM 260 CG2 VAL A 9 -24.883 -3.038 12.358 1.00 20.00 C ATOM 0 H VAL A 9 -23.341 -4.943 12.047 1.00 20.00 H new ATOM 0 HA VAL A 9 -23.458 -4.918 14.873 1.00 20.00 H new ATOM 0 HB VAL A 9 -24.898 -2.873 14.482 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -23.009 -1.539 13.600 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -22.469 -2.743 14.794 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -22.217 -3.037 13.057 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -24.973 -1.964 12.192 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -24.262 -3.475 11.576 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -25.873 -3.493 12.331 1.00 20.00 H new ATOM 270 N SER A 10 -25.691 -5.784 15.537 1.00 20.00 N ATOM 271 CA SER A 10 -26.922 -6.452 15.936 1.00 20.00 C ATOM 272 C SER A 10 -28.056 -5.449 16.126 1.00 20.00 C ATOM 273 O SER A 10 -28.557 -5.258 17.237 1.00 20.00 O ATOM 274 CB SER A 10 -26.697 -7.246 17.223 1.00 20.00 C ATOM 275 OG SER A 10 -25.697 -8.237 17.043 1.00 20.00 O ATOM 0 H SER A 10 -25.035 -5.622 16.301 1.00 20.00 H new ATOM 0 HA SER A 10 -27.209 -7.139 15.139 1.00 20.00 H new ATOM 0 HB2 SER A 10 -26.403 -6.569 18.025 1.00 20.00 H new ATOM 0 HB3 SER A 10 -27.630 -7.718 17.531 1.00 20.00 H new ATOM 0 HG SER A 10 -24.846 -7.806 16.818 1.00 20.00 H new ATOM 281 N GLU A 11 -28.453 -4.819 15.037 1.00 20.00 N ATOM 282 CA GLU A 11 -29.519 -3.832 15.070 1.00 20.00 C ATOM 283 C GLU A 11 -30.865 -4.518 14.905 1.00 20.00 C ATOM 284 O GLU A 11 -30.953 -5.610 14.340 1.00 20.00 O ATOM 285 CB GLU A 11 -29.320 -2.800 13.957 1.00 20.00 C ATOM 286 CG GLU A 11 -27.940 -2.168 13.951 1.00 20.00 C ATOM 287 CD GLU A 11 -27.555 -1.594 15.298 1.00 20.00 C ATOM 288 OE1 GLU A 11 -27.990 -0.467 15.615 1.00 20.00 O ATOM 289 OE2 GLU A 11 -26.817 -2.263 16.048 1.00 20.00 O ATOM 0 H GLU A 11 -28.051 -4.974 14.112 1.00 20.00 H new ATOM 0 HA GLU A 11 -29.494 -3.320 16.032 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -29.495 -3.279 12.994 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -30.069 -2.015 14.063 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -27.204 -2.915 13.655 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -27.910 -1.377 13.202 1.00 20.00 H new ATOM 296 N PHE A 12 -31.909 -3.884 15.417 1.00 20.00 N ATOM 297 CA PHE A 12 -33.258 -4.405 15.284 1.00 20.00 C ATOM 298 C PHE A 12 -33.835 -3.988 13.936 1.00 20.00 C ATOM 299 O PHE A 12 -34.772 -4.604 13.424 1.00 20.00 O ATOM 300 CB PHE A 12 -34.141 -3.905 16.433 1.00 20.00 C ATOM 301 CG PHE A 12 -35.477 -4.598 16.522 1.00 20.00 C ATOM 302 CD1 PHE A 12 -35.548 -5.947 16.839 1.00 20.00 C ATOM 303 CD2 PHE A 12 -36.657 -3.905 16.295 1.00 20.00 C ATOM 304 CE1 PHE A 12 -36.769 -6.588 16.927 1.00 20.00 C ATOM 305 CE2 PHE A 12 -37.879 -4.543 16.381 1.00 20.00 C ATOM 306 CZ PHE A 12 -37.935 -5.886 16.697 1.00 20.00 C ATOM 0 H PHE A 12 -31.846 -3.005 15.930 1.00 20.00 H new ATOM 0 HA PHE A 12 -33.229 -5.494 15.333 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -33.608 -4.042 17.374 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -34.305 -2.834 16.313 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -34.639 -6.502 17.019 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -36.620 -2.854 16.048 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -36.811 -7.638 17.176 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -38.790 -3.992 16.201 1.00 20.00 H new ATOM 0 HZ PHE A 12 -38.890 -6.386 16.764 1.00 20.00 H new ATOM 316 N GLU A 13 -33.261 -2.939 13.366 1.00 20.00 N ATOM 317 CA GLU A 13 -33.639 -2.473 12.043 1.00 20.00 C ATOM 318 C GLU A 13 -32.397 -2.346 11.171 1.00 20.00 C ATOM 319 O GLU A 13 -31.441 -1.664 11.543 1.00 20.00 O ATOM 320 CB GLU A 13 -34.355 -1.123 12.129 1.00 20.00 C ATOM 321 CG GLU A 13 -34.718 -0.541 10.771 1.00 20.00 C ATOM 322 CD GLU A 13 -35.425 0.792 10.877 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.739 1.834 10.958 1.00 20.00 O ATOM 324 OE2 GLU A 13 -36.671 0.809 10.878 1.00 20.00 O ATOM 0 H GLU A 13 -32.523 -2.390 13.807 1.00 20.00 H new ATOM 0 HA GLU A 13 -34.322 -3.197 11.600 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -35.263 -1.239 12.720 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -33.718 -0.416 12.660 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -33.811 -0.421 10.178 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -35.357 -1.245 10.238 1.00 20.00 H new ATOM 331 N THR A 14 -32.405 -3.003 10.024 1.00 20.00 N ATOM 332 CA THR A 14 -31.283 -2.928 9.111 1.00 20.00 C ATOM 333 C THR A 14 -31.555 -1.890 8.028 1.00 20.00 C ATOM 334 O THR A 14 -32.599 -1.911 7.373 1.00 20.00 O ATOM 335 CB THR A 14 -30.953 -4.304 8.480 1.00 20.00 C ATOM 336 OG1 THR A 14 -29.946 -4.164 7.465 1.00 20.00 O ATOM 337 CG2 THR A 14 -32.189 -4.964 7.892 1.00 20.00 C ATOM 0 H THR A 14 -33.174 -3.592 9.706 1.00 20.00 H new ATOM 0 HA THR A 14 -30.409 -2.622 9.686 1.00 20.00 H new ATOM 0 HB THR A 14 -30.575 -4.944 9.277 1.00 20.00 H new ATOM 0 HG1 THR A 14 -30.375 -4.026 6.595 1.00 20.00 H new ATOM 0 HG21 THR A 14 -31.916 -5.927 7.459 1.00 20.00 H new ATOM 0 HG22 THR A 14 -32.929 -5.116 8.678 1.00 20.00 H new ATOM 0 HG23 THR A 14 -32.609 -4.324 7.117 1.00 20.00 H new ATOM 345 N ILE A 15 -30.622 -0.963 7.877 1.00 20.00 N ATOM 346 CA ILE A 15 -30.740 0.099 6.895 1.00 20.00 C ATOM 347 C ILE A 15 -30.605 -0.480 5.490 1.00 20.00 C ATOM 348 O ILE A 15 -29.697 -1.266 5.242 1.00 20.00 O ATOM 349 CB ILE A 15 -29.668 1.200 7.109 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.857 1.917 8.455 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.706 2.212 5.978 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.413 1.120 9.664 1.00 20.00 C ATOM 0 H ILE A 15 -29.766 -0.927 8.430 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.722 0.557 7.016 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.695 0.709 7.117 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.303 2.856 8.432 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.911 2.171 8.571 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -28.947 2.975 6.147 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.509 1.708 5.032 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.690 2.680 5.942 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.584 1.705 10.568 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.984 0.193 9.718 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -28.352 0.888 9.577 1.00 20.00 H new ATOM 364 N GLU A 16 -31.518 -0.107 4.591 1.00 20.00 N ATOM 365 CA GLU A 16 -31.635 -0.742 3.272 1.00 20.00 C ATOM 366 C GLU A 16 -30.287 -0.929 2.561 1.00 20.00 C ATOM 367 O GLU A 16 -30.055 -1.972 1.946 1.00 20.00 O ATOM 368 CB GLU A 16 -32.602 0.043 2.378 1.00 20.00 C ATOM 369 CG GLU A 16 -32.217 1.497 2.168 1.00 20.00 C ATOM 370 CD GLU A 16 -33.167 2.220 1.242 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.198 2.738 1.723 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.885 2.283 0.027 1.00 20.00 O ATOM 0 H GLU A 16 -32.194 0.639 4.753 1.00 20.00 H new ATOM 0 HA GLU A 16 -32.032 -1.741 3.452 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.662 -0.449 1.407 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.599 0.003 2.817 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.196 2.006 3.131 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.208 1.547 1.759 1.00 20.00 H new ATOM 379 N GLN A 17 -29.395 0.057 2.663 1.00 20.00 N ATOM 380 CA GLN A 17 -28.092 -0.018 1.996 1.00 20.00 C ATOM 381 C GLN A 17 -27.243 -1.162 2.542 1.00 20.00 C ATOM 382 O GLN A 17 -26.352 -1.664 1.861 1.00 20.00 O ATOM 383 CB GLN A 17 -27.315 1.294 2.141 1.00 20.00 C ATOM 384 CG GLN A 17 -27.014 1.677 3.580 1.00 20.00 C ATOM 385 CD GLN A 17 -25.925 2.724 3.687 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.194 3.922 3.645 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.690 2.279 3.848 1.00 20.00 N ATOM 0 H GLN A 17 -29.548 0.912 3.197 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.295 -0.202 0.941 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.376 1.211 1.594 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.886 2.096 1.674 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -27.923 2.054 4.050 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.714 0.788 4.134 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.509 1.276 3.877 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.918 2.939 3.943 1.00 20.00 H new ATOM 396 N GLU A 18 -27.520 -1.566 3.770 1.00 20.00 N ATOM 397 CA GLU A 18 -26.773 -2.631 4.410 1.00 20.00 C ATOM 398 C GLU A 18 -27.425 -3.979 4.135 1.00 20.00 C ATOM 399 O GLU A 18 -26.825 -5.029 4.362 1.00 20.00 O ATOM 400 CB GLU A 18 -26.683 -2.391 5.917 1.00 20.00 C ATOM 401 CG GLU A 18 -25.950 -1.112 6.298 1.00 20.00 C ATOM 402 CD GLU A 18 -24.508 -1.100 5.831 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.744 -2.007 6.230 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.126 -0.173 5.083 1.00 20.00 O ATOM 0 H GLU A 18 -28.262 -1.168 4.346 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.765 -2.638 3.995 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.691 -2.356 6.330 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.178 -3.239 6.380 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.473 -0.257 5.869 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.977 -0.992 7.381 1.00 20.00 H new ATOM 411 N ASN A 19 -28.657 -3.945 3.645 1.00 20.00 N ATOM 412 CA ASN A 19 -29.406 -5.168 3.354 1.00 20.00 C ATOM 413 C ASN A 19 -28.708 -5.990 2.282 1.00 20.00 C ATOM 414 O ASN A 19 -28.780 -7.218 2.284 1.00 20.00 O ATOM 415 CB ASN A 19 -30.838 -4.852 2.914 1.00 20.00 C ATOM 416 CG ASN A 19 -31.711 -4.358 4.053 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.222 -3.769 5.016 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.011 -4.599 3.955 1.00 20.00 N ATOM 0 H ASN A 19 -29.163 -3.084 3.439 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.447 -5.750 4.275 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.813 -4.097 2.128 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.286 -5.747 2.482 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.644 -4.293 4.694 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.379 -5.091 3.140 1.00 20.00 H new ATOM 425 N SER A 20 -28.011 -5.312 1.381 1.00 20.00 N ATOM 426 CA SER A 20 -27.249 -5.990 0.343 1.00 20.00 C ATOM 427 C SER A 20 -26.068 -6.743 0.954 1.00 20.00 C ATOM 428 O SER A 20 -25.687 -7.818 0.487 1.00 20.00 O ATOM 429 CB SER A 20 -26.775 -4.978 -0.701 1.00 20.00 C ATOM 430 OG SER A 20 -26.337 -3.784 -0.078 1.00 20.00 O ATOM 0 H SER A 20 -27.958 -4.294 1.348 1.00 20.00 H new ATOM 0 HA SER A 20 -27.891 -6.719 -0.151 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.963 -5.407 -1.288 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.586 -4.756 -1.394 1.00 20.00 H new ATOM 0 HG SER A 20 -26.036 -3.150 -0.762 1.00 20.00 H new ATOM 436 N TYR A 21 -25.499 -6.179 2.013 1.00 20.00 N ATOM 437 CA TYR A 21 -24.425 -6.840 2.742 1.00 20.00 C ATOM 438 C TYR A 21 -24.988 -7.989 3.570 1.00 20.00 C ATOM 439 O TYR A 21 -24.334 -9.017 3.752 1.00 20.00 O ATOM 440 CB TYR A 21 -23.690 -5.853 3.653 1.00 20.00 C ATOM 441 CG TYR A 21 -23.050 -4.694 2.920 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.165 -4.910 1.872 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.324 -3.383 3.285 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.574 -3.852 1.209 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.738 -2.321 2.626 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.866 -2.560 1.589 1.00 20.00 C ATOM 447 OH TYR A 21 -21.277 -1.502 0.934 1.00 20.00 O ATOM 0 H TYR A 21 -25.763 -5.267 2.385 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.712 -7.232 2.016 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.393 -5.460 4.388 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.919 -6.390 4.205 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.935 -5.921 1.570 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.008 -3.191 4.099 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.886 -4.037 0.397 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.963 -1.307 2.923 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.591 -0.660 1.324 1.00 20.00 H new ATOM 457 N ASN A 22 -26.214 -7.806 4.059 1.00 20.00 N ATOM 458 CA ASN A 22 -26.915 -8.850 4.805 1.00 20.00 C ATOM 459 C ASN A 22 -27.043 -10.115 3.969 1.00 20.00 C ATOM 460 O ASN A 22 -26.784 -11.211 4.455 1.00 20.00 O ATOM 461 CB ASN A 22 -28.310 -8.386 5.246 1.00 20.00 C ATOM 462 CG ASN A 22 -28.306 -7.594 6.544 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.430 -8.160 7.629 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.170 -6.282 6.446 1.00 20.00 N ATOM 0 H ASN A 22 -26.744 -6.941 3.951 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.323 -9.063 5.695 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.746 -7.773 4.457 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.953 -9.258 5.364 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.166 -5.705 7.287 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.069 -5.847 5.529 1.00 20.00 H new ATOM 471 N GLU A 23 -27.432 -9.955 2.706 1.00 20.00 N ATOM 472 CA GLU A 23 -27.594 -11.092 1.805 1.00 20.00 C ATOM 473 C GLU A 23 -26.290 -11.859 1.642 1.00 20.00 C ATOM 474 O GLU A 23 -26.280 -13.091 1.669 1.00 20.00 O ATOM 475 CB GLU A 23 -28.113 -10.636 0.442 1.00 20.00 C ATOM 476 CG GLU A 23 -29.603 -10.344 0.432 1.00 20.00 C ATOM 477 CD GLU A 23 -30.429 -11.567 0.782 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.490 -12.504 -0.044 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.025 -11.598 1.882 1.00 20.00 O ATOM 0 H GLU A 23 -27.640 -9.050 2.284 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.329 -11.762 2.251 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.572 -9.740 0.137 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.896 -11.407 -0.298 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.820 -9.546 1.142 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.894 -9.981 -0.554 1.00 20.00 H new ATOM 486 N TRP A 24 -25.195 -11.127 1.488 1.00 20.00 N ATOM 487 CA TRP A 24 -23.878 -11.737 1.367 1.00 20.00 C ATOM 488 C TRP A 24 -23.534 -12.511 2.639 1.00 20.00 C ATOM 489 O TRP A 24 -23.026 -13.629 2.580 1.00 20.00 O ATOM 490 CB TRP A 24 -22.820 -10.662 1.084 1.00 20.00 C ATOM 491 CG TRP A 24 -21.433 -11.205 0.925 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.394 -11.073 1.802 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.932 -11.970 -0.178 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.276 -11.705 1.312 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.582 -12.265 0.098 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.492 -12.434 -1.371 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.788 -13.003 -0.775 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.701 -13.167 -2.237 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.363 -13.444 -1.936 1.00 20.00 C ATOM 0 H TRP A 24 -25.193 -10.108 1.444 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.890 -12.437 0.532 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.096 -10.124 0.177 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.825 -9.937 1.898 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.444 -10.548 2.744 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.368 -11.750 1.775 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.524 -12.224 -1.612 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.755 -13.220 -0.545 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.123 -13.532 -3.162 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -18.772 -14.018 -2.634 1.00 20.00 H new ATOM 510 N LEU A 25 -23.850 -11.919 3.784 1.00 20.00 N ATOM 511 CA LEU A 25 -23.553 -12.530 5.073 1.00 20.00 C ATOM 512 C LEU A 25 -24.416 -13.777 5.276 1.00 20.00 C ATOM 513 O LEU A 25 -23.926 -14.819 5.716 1.00 20.00 O ATOM 514 CB LEU A 25 -23.785 -11.501 6.197 1.00 20.00 C ATOM 515 CG LEU A 25 -23.163 -11.815 7.571 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.929 -12.912 8.299 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.696 -12.202 7.425 1.00 20.00 C ATOM 0 H LEU A 25 -24.314 -11.013 3.846 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.508 -12.839 5.099 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.397 -10.539 5.861 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.860 -11.382 6.331 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.229 -10.908 8.171 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.460 -13.105 9.264 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.960 -12.594 8.454 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.916 -13.823 7.701 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.277 -12.419 8.408 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.614 -13.086 6.792 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.146 -11.378 6.971 1.00 20.00 H new ATOM 529 N ARG A 26 -25.697 -13.667 4.930 1.00 20.00 N ATOM 530 CA ARG A 26 -26.638 -14.777 5.064 1.00 20.00 C ATOM 531 C ARG A 26 -26.231 -15.946 4.176 1.00 20.00 C ATOM 532 O ARG A 26 -26.380 -17.107 4.554 1.00 20.00 O ATOM 533 CB ARG A 26 -28.060 -14.329 4.711 1.00 20.00 C ATOM 534 CG ARG A 26 -28.635 -13.295 5.666 1.00 20.00 C ATOM 535 CD ARG A 26 -29.985 -12.783 5.189 1.00 20.00 C ATOM 536 NE ARG A 26 -30.511 -11.733 6.056 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.475 -10.885 5.700 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.978 -10.916 4.468 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.914 -9.985 6.571 1.00 20.00 N ATOM 0 H ARG A 26 -26.109 -12.814 4.552 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.618 -15.104 6.104 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.061 -13.917 3.702 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.713 -15.202 4.700 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.741 -13.734 6.658 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.941 -12.460 5.760 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.889 -12.400 4.173 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.694 -13.610 5.151 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.116 -11.643 6.992 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.626 -11.592 3.790 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.716 -10.264 4.202 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.514 -9.945 7.508 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.652 -9.334 6.303 1.00 20.00 H new ATOM 553 N ALA A 27 -25.702 -15.634 3.000 1.00 20.00 N ATOM 554 CA ALA A 27 -25.248 -16.659 2.070 1.00 20.00 C ATOM 555 C ALA A 27 -24.038 -17.399 2.625 1.00 20.00 C ATOM 556 O ALA A 27 -23.778 -18.550 2.272 1.00 20.00 O ATOM 557 CB ALA A 27 -24.911 -16.037 0.726 1.00 20.00 C ATOM 0 H ALA A 27 -25.577 -14.678 2.667 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.056 -17.378 1.935 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.573 -16.814 0.040 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.797 -15.552 0.317 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.120 -15.298 0.855 1.00 20.00 H new ATOM 563 N LYS A 28 -23.307 -16.733 3.504 1.00 20.00 N ATOM 564 CA LYS A 28 -22.098 -17.297 4.085 1.00 20.00 C ATOM 565 C LYS A 28 -22.397 -18.058 5.373 1.00 20.00 C ATOM 566 O LYS A 28 -21.510 -18.694 5.940 1.00 20.00 O ATOM 567 CB LYS A 28 -21.085 -16.188 4.364 1.00 20.00 C ATOM 568 CG LYS A 28 -20.537 -15.529 3.107 1.00 20.00 C ATOM 569 CD LYS A 28 -19.690 -14.310 3.440 1.00 20.00 C ATOM 570 CE LYS A 28 -18.539 -14.654 4.375 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.647 -15.701 3.808 1.00 20.00 N ATOM 0 H LYS A 28 -23.532 -15.794 3.833 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.681 -18.002 3.366 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.555 -15.427 4.987 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.256 -16.602 4.938 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.937 -16.249 2.550 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.363 -15.234 2.460 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.294 -13.881 2.519 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.317 -13.548 3.902 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.957 -13.755 4.578 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.939 -14.998 5.329 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.807 -15.806 4.413 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.158 -16.606 3.764 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.351 -15.424 2.850 1.00 20.00 H new ATOM 585 N VAL A 29 -23.642 -17.988 5.831 1.00 20.00 N ATOM 586 CA VAL A 29 -24.038 -18.632 7.079 1.00 20.00 C ATOM 587 C VAL A 29 -23.799 -20.140 7.034 1.00 20.00 C ATOM 588 O VAL A 29 -23.086 -20.683 7.883 1.00 20.00 O ATOM 589 CB VAL A 29 -25.518 -18.337 7.426 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.020 -19.247 8.537 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.676 -16.880 7.830 1.00 20.00 C ATOM 0 H VAL A 29 -24.396 -17.491 5.356 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.411 -18.210 7.864 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.119 -18.532 6.538 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -27.062 -19.013 8.756 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.940 -20.287 8.220 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.418 -19.094 9.433 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.720 -16.681 8.072 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.055 -16.675 8.702 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.366 -16.238 7.005 1.00 20.00 H new ATOM 601 N ALA A 30 -24.379 -20.794 6.026 1.00 20.00 N ATOM 602 CA ALA A 30 -24.254 -22.242 5.827 1.00 20.00 C ATOM 603 C ALA A 30 -24.945 -23.032 6.939 1.00 20.00 C ATOM 604 O ALA A 30 -25.976 -23.666 6.710 1.00 20.00 O ATOM 605 CB ALA A 30 -22.791 -22.652 5.699 1.00 20.00 C ATOM 0 H ALA A 30 -24.952 -20.333 5.320 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.761 -22.484 4.893 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -22.727 -23.730 5.552 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -22.344 -22.142 4.846 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -22.255 -22.377 6.608 1.00 20.00 H new ATOM 611 N THR A 31 -24.386 -22.983 8.140 1.00 20.00 N ATOM 612 CA THR A 31 -24.934 -23.712 9.269 1.00 20.00 C ATOM 613 C THR A 31 -24.505 -23.066 10.592 1.00 20.00 C ATOM 614 O THR A 31 -23.522 -23.461 11.218 1.00 20.00 O ATOM 615 CB THR A 31 -24.537 -25.213 9.221 1.00 20.00 C ATOM 616 OG1 THR A 31 -24.997 -25.898 10.397 1.00 20.00 O ATOM 617 CG2 THR A 31 -23.033 -25.397 9.071 1.00 20.00 C ATOM 0 H THR A 31 -23.549 -22.442 8.356 1.00 20.00 H new ATOM 0 HA THR A 31 -26.021 -23.661 9.205 1.00 20.00 H new ATOM 0 HB THR A 31 -25.019 -25.644 8.343 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.739 -26.842 10.348 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.798 -26.461 9.042 1.00 20.00 H new ATOM 0 HG22 THR A 31 -22.699 -24.926 8.147 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.524 -24.936 9.917 1.00 20.00 H new ATOM 625 N SER A 32 -25.242 -22.043 11.000 1.00 20.00 N ATOM 626 CA SER A 32 -24.993 -21.371 12.265 1.00 20.00 C ATOM 627 C SER A 32 -26.268 -20.682 12.737 1.00 20.00 C ATOM 628 O SER A 32 -26.716 -19.708 12.127 1.00 20.00 O ATOM 629 CB SER A 32 -23.849 -20.361 12.121 1.00 20.00 C ATOM 630 OG SER A 32 -24.114 -19.434 11.083 1.00 20.00 O ATOM 0 H SER A 32 -26.023 -21.659 10.468 1.00 20.00 H new ATOM 0 HA SER A 32 -24.695 -22.109 13.010 1.00 20.00 H new ATOM 0 HB2 SER A 32 -23.710 -19.828 13.062 1.00 20.00 H new ATOM 0 HB3 SER A 32 -22.918 -20.889 11.913 1.00 20.00 H new ATOM 0 HG SER A 32 -23.623 -19.697 10.277 1.00 20.00 H new ATOM 636 N LEU A 33 -26.849 -21.190 13.817 1.00 20.00 N ATOM 637 CA LEU A 33 -28.139 -20.705 14.296 1.00 20.00 C ATOM 638 C LEU A 33 -27.998 -19.400 15.077 1.00 20.00 C ATOM 639 O LEU A 33 -28.322 -19.330 16.262 1.00 20.00 O ATOM 640 CB LEU A 33 -28.815 -21.765 15.173 1.00 20.00 C ATOM 641 CG LEU A 33 -29.033 -23.132 14.514 1.00 20.00 C ATOM 642 CD1 LEU A 33 -29.717 -24.085 15.481 1.00 20.00 C ATOM 643 CD2 LEU A 33 -29.846 -22.998 13.232 1.00 20.00 C ATOM 0 H LEU A 33 -26.447 -21.940 14.380 1.00 20.00 H new ATOM 0 HA LEU A 33 -28.759 -20.509 13.421 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -28.212 -21.907 16.070 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -29.782 -21.380 15.497 1.00 20.00 H new ATOM 0 HG LEU A 33 -28.057 -23.541 14.253 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -29.864 -25.051 14.997 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -29.094 -24.214 16.366 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -30.684 -23.675 15.774 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -29.986 -23.982 12.785 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -30.818 -22.562 13.462 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -29.316 -22.353 12.531 1.00 20.00 H new ATOM 655 N ALA A 34 -27.516 -18.370 14.404 1.00 20.00 N ATOM 656 CA ALA A 34 -27.443 -17.045 14.989 1.00 20.00 C ATOM 657 C ALA A 34 -28.787 -16.350 14.832 1.00 20.00 C ATOM 658 O ALA A 34 -29.252 -16.136 13.708 1.00 20.00 O ATOM 659 CB ALA A 34 -26.335 -16.234 14.336 1.00 20.00 C ATOM 0 H ALA A 34 -27.168 -18.428 13.447 1.00 20.00 H new ATOM 0 HA ALA A 34 -27.210 -17.132 16.050 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.295 -15.243 14.788 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.380 -16.738 14.483 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.535 -16.139 13.269 1.00 20.00 H new ATOM 665 N ASP A 35 -29.417 -16.012 15.947 1.00 20.00 N ATOM 666 CA ASP A 35 -30.772 -15.478 15.919 1.00 20.00 C ATOM 667 C ASP A 35 -30.770 -13.961 16.069 1.00 20.00 C ATOM 668 O ASP A 35 -30.447 -13.429 17.133 1.00 20.00 O ATOM 669 CB ASP A 35 -31.626 -16.113 17.020 1.00 20.00 C ATOM 670 CG ASP A 35 -33.069 -15.657 16.964 1.00 20.00 C ATOM 671 OD1 ASP A 35 -33.751 -15.955 15.963 1.00 20.00 O ATOM 672 OD2 ASP A 35 -33.534 -15.015 17.927 1.00 20.00 O ATOM 0 H ASP A 35 -29.014 -16.097 16.880 1.00 20.00 H new ATOM 0 HA ASP A 35 -31.205 -15.726 14.950 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.587 -17.198 16.927 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -31.205 -15.861 17.994 1.00 20.00 H new ATOM 677 N PRO A 36 -31.151 -13.247 15.001 1.00 20.00 N ATOM 678 CA PRO A 36 -31.167 -11.785 14.984 1.00 20.00 C ATOM 679 C PRO A 36 -32.433 -11.208 15.612 1.00 20.00 C ATOM 680 O PRO A 36 -32.942 -10.175 15.168 1.00 20.00 O ATOM 681 CB PRO A 36 -31.118 -11.471 13.491 1.00 20.00 C ATOM 682 CG PRO A 36 -31.854 -12.600 12.854 1.00 20.00 C ATOM 683 CD PRO A 36 -31.590 -13.813 13.712 1.00 20.00 C ATOM 0 HA PRO A 36 -30.350 -11.352 15.561 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -31.590 -10.513 13.270 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -30.091 -11.411 13.130 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -32.922 -12.387 12.799 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -31.509 -12.763 11.833 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -32.486 -14.423 13.828 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -30.823 -14.453 13.275 1.00 20.00 H new ATOM 691 N ARG A 37 -32.927 -11.897 16.645 1.00 20.00 N ATOM 692 CA ARG A 37 -34.120 -11.482 17.393 1.00 20.00 C ATOM 693 C ARG A 37 -35.391 -11.697 16.572 1.00 20.00 C ATOM 694 O ARG A 37 -35.372 -11.608 15.343 1.00 20.00 O ATOM 695 CB ARG A 37 -34.010 -10.021 17.862 1.00 20.00 C ATOM 696 CG ARG A 37 -33.160 -9.836 19.115 1.00 20.00 C ATOM 697 CD ARG A 37 -31.733 -10.330 18.919 1.00 20.00 C ATOM 698 NE ARG A 37 -30.977 -10.322 20.167 1.00 20.00 N ATOM 699 CZ ARG A 37 -30.017 -11.196 20.468 1.00 20.00 C ATOM 700 NH1 ARG A 37 -29.670 -12.145 19.605 1.00 20.00 N ATOM 701 NH2 ARG A 37 -29.402 -11.119 21.638 1.00 20.00 N ATOM 0 H ARG A 37 -32.510 -12.762 16.988 1.00 20.00 H new ATOM 0 HA ARG A 37 -34.183 -12.112 18.281 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -33.586 -9.422 17.056 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -35.011 -9.635 18.054 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -33.143 -8.781 19.388 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -33.618 -10.373 19.945 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -31.752 -11.341 18.513 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -31.229 -9.701 18.185 1.00 20.00 H new ATOM 0 HE ARG A 37 -31.198 -9.601 20.854 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -30.140 -12.210 18.702 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -28.934 -12.809 19.846 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -29.664 -10.393 22.305 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -28.667 -11.786 21.873 1.00 20.00 H new ATOM 715 N PRO A 38 -36.512 -12.011 17.244 1.00 20.00 N ATOM 716 CA PRO A 38 -37.785 -12.300 16.576 1.00 20.00 C ATOM 717 C PRO A 38 -38.484 -11.043 16.070 1.00 20.00 C ATOM 718 O PRO A 38 -39.538 -10.651 16.576 1.00 20.00 O ATOM 719 CB PRO A 38 -38.611 -12.969 17.674 1.00 20.00 C ATOM 720 CG PRO A 38 -38.094 -12.382 18.940 1.00 20.00 C ATOM 721 CD PRO A 38 -36.627 -12.113 18.712 1.00 20.00 C ATOM 0 HA PRO A 38 -37.647 -12.916 15.687 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -39.675 -12.768 17.549 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -38.488 -14.052 17.659 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -38.624 -11.462 19.188 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -38.239 -13.068 19.775 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -36.308 -11.194 19.203 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.007 -12.917 19.107 1.00 20.00 H new ATOM 729 N ALA A 39 -37.887 -10.418 15.071 1.00 20.00 N ATOM 730 CA ALA A 39 -38.457 -9.230 14.463 1.00 20.00 C ATOM 731 C ALA A 39 -39.625 -9.613 13.571 1.00 20.00 C ATOM 732 O ALA A 39 -39.574 -10.639 12.888 1.00 20.00 O ATOM 733 CB ALA A 39 -37.398 -8.479 13.672 1.00 20.00 C ATOM 0 H ALA A 39 -37.002 -10.716 14.662 1.00 20.00 H new ATOM 0 HA ALA A 39 -38.823 -8.571 15.250 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -37.842 -7.591 13.222 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -36.588 -8.182 14.339 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -37.004 -9.125 12.887 1.00 20.00 H new ATOM 739 N ILE A 40 -40.664 -8.785 13.581 1.00 20.00 N ATOM 740 CA ILE A 40 -41.886 -9.044 12.824 1.00 20.00 C ATOM 741 C ILE A 40 -42.627 -10.260 13.384 1.00 20.00 C ATOM 742 O ILE A 40 -42.191 -11.403 13.219 1.00 20.00 O ATOM 743 CB ILE A 40 -41.605 -9.265 11.321 1.00 20.00 C ATOM 744 CG1 ILE A 40 -40.821 -8.083 10.742 1.00 20.00 C ATOM 745 CG2 ILE A 40 -42.912 -9.460 10.564 1.00 20.00 C ATOM 746 CD1 ILE A 40 -40.397 -8.282 9.304 1.00 20.00 C ATOM 0 H ILE A 40 -40.684 -7.915 14.114 1.00 20.00 H new ATOM 0 HA ILE A 40 -42.510 -8.156 12.927 1.00 20.00 H new ATOM 0 HB ILE A 40 -41.000 -10.165 11.209 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -41.433 -7.184 10.810 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -39.935 -7.912 11.353 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -42.700 -9.615 9.506 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -43.436 -10.330 10.960 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -43.537 -8.575 10.683 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -39.847 -7.405 8.962 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -39.758 -9.162 9.232 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -41.280 -8.422 8.680 1.00 20.00 H new ATOM 758 N PRO A 41 -43.761 -10.034 14.060 1.00 20.00 N ATOM 759 CA PRO A 41 -44.559 -11.118 14.627 1.00 20.00 C ATOM 760 C PRO A 41 -45.103 -12.034 13.533 1.00 20.00 C ATOM 761 O PRO A 41 -45.626 -11.559 12.523 1.00 20.00 O ATOM 762 CB PRO A 41 -45.703 -10.404 15.356 1.00 20.00 C ATOM 763 CG PRO A 41 -45.751 -9.031 14.773 1.00 20.00 C ATOM 764 CD PRO A 41 -44.358 -8.711 14.305 1.00 20.00 C ATOM 0 HA PRO A 41 -43.974 -11.757 15.288 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -46.648 -10.926 15.209 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -45.522 -10.368 16.430 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -46.457 -8.987 13.944 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -46.086 -8.307 15.516 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -44.369 -8.103 13.401 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -43.801 -8.153 15.058 1.00 20.00 H new ATOM 772 N HIS A 42 -44.988 -13.347 13.726 1.00 20.00 N ATOM 773 CA HIS A 42 -45.405 -14.289 12.689 1.00 20.00 C ATOM 774 C HIS A 42 -46.923 -14.420 12.654 1.00 20.00 C ATOM 775 O HIS A 42 -47.469 -15.163 11.845 1.00 20.00 O ATOM 776 CB HIS A 42 -44.731 -15.669 12.839 1.00 20.00 C ATOM 777 CG HIS A 42 -45.149 -16.479 14.037 1.00 20.00 C ATOM 778 ND1 HIS A 42 -46.106 -17.471 13.976 1.00 20.00 N ATOM 779 CD2 HIS A 42 -44.697 -16.477 15.314 1.00 20.00 C ATOM 780 CE1 HIS A 42 -46.222 -18.043 15.159 1.00 20.00 C ATOM 781 NE2 HIS A 42 -45.377 -17.460 15.989 1.00 20.00 N ATOM 0 H HIS A 42 -44.617 -13.777 14.574 1.00 20.00 H new ATOM 0 HA HIS A 42 -45.072 -13.880 11.735 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -44.937 -16.252 11.941 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -43.652 -15.522 12.883 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -46.641 -17.723 13.145 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -43.942 -15.823 15.725 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -46.894 -18.851 15.407 1.00 20.00 H new ATOM 790 N ASP A 43 -47.593 -13.674 13.530 1.00 20.00 N ATOM 791 CA ASP A 43 -49.055 -13.602 13.534 1.00 20.00 C ATOM 792 C ASP A 43 -49.576 -13.131 12.178 1.00 20.00 C ATOM 793 O ASP A 43 -50.615 -13.593 11.703 1.00 20.00 O ATOM 794 CB ASP A 43 -49.545 -12.659 14.636 1.00 20.00 C ATOM 795 CG ASP A 43 -51.036 -12.390 14.554 1.00 20.00 C ATOM 796 OD1 ASP A 43 -51.830 -13.266 14.963 1.00 20.00 O ATOM 797 OD2 ASP A 43 -51.420 -11.296 14.087 1.00 20.00 O ATOM 0 H ASP A 43 -47.145 -13.108 14.250 1.00 20.00 H new ATOM 0 HA ASP A 43 -49.441 -14.603 13.729 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -49.310 -13.091 15.609 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.005 -11.715 14.568 1.00 20.00 H new ATOM 802 N GLU A 44 -48.832 -12.221 11.557 1.00 20.00 N ATOM 803 CA GLU A 44 -49.157 -11.728 10.225 1.00 20.00 C ATOM 804 C GLU A 44 -49.199 -12.891 9.236 1.00 20.00 C ATOM 805 O GLU A 44 -50.111 -13.000 8.415 1.00 20.00 O ATOM 806 CB GLU A 44 -48.114 -10.692 9.789 1.00 20.00 C ATOM 807 CG GLU A 44 -48.406 -10.042 8.447 1.00 20.00 C ATOM 808 CD GLU A 44 -49.671 -9.210 8.465 1.00 20.00 C ATOM 809 OE1 GLU A 44 -49.624 -8.055 8.944 1.00 20.00 O ATOM 810 OE2 GLU A 44 -50.723 -9.705 8.006 1.00 20.00 O ATOM 0 H GLU A 44 -47.992 -11.807 11.961 1.00 20.00 H new ATOM 0 HA GLU A 44 -50.138 -11.253 10.245 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -48.050 -9.915 10.550 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -47.137 -11.174 9.742 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -47.564 -9.410 8.163 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -48.496 -10.816 7.685 1.00 20.00 H new ATOM 817 N VAL A 45 -48.215 -13.774 9.355 1.00 20.00 N ATOM 818 CA VAL A 45 -48.116 -14.946 8.502 1.00 20.00 C ATOM 819 C VAL A 45 -49.254 -15.918 8.789 1.00 20.00 C ATOM 820 O VAL A 45 -49.837 -16.499 7.871 1.00 20.00 O ATOM 821 CB VAL A 45 -46.763 -15.661 8.701 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.675 -16.914 7.845 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.613 -14.717 8.390 1.00 20.00 C ATOM 0 H VAL A 45 -47.467 -13.696 10.044 1.00 20.00 H new ATOM 0 HA VAL A 45 -48.187 -14.609 7.468 1.00 20.00 H new ATOM 0 HB VAL A 45 -46.690 -15.964 9.746 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -45.711 -17.397 8.005 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -47.476 -17.600 8.121 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -46.775 -16.644 6.794 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.666 -15.237 8.535 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.688 -14.381 7.356 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -45.660 -13.855 9.056 1.00 20.00 H new ATOM 833 N GLU A 46 -49.574 -16.076 10.070 1.00 20.00 N ATOM 834 CA GLU A 46 -50.657 -16.968 10.491 1.00 20.00 C ATOM 835 C GLU A 46 -51.961 -16.607 9.789 1.00 20.00 C ATOM 836 O GLU A 46 -52.693 -17.485 9.336 1.00 20.00 O ATOM 837 CB GLU A 46 -50.870 -16.910 12.008 1.00 20.00 C ATOM 838 CG GLU A 46 -49.607 -17.142 12.823 1.00 20.00 C ATOM 839 CD GLU A 46 -48.944 -18.468 12.520 1.00 20.00 C ATOM 840 OE1 GLU A 46 -49.589 -19.518 12.720 1.00 20.00 O ATOM 841 OE2 GLU A 46 -47.774 -18.469 12.081 1.00 20.00 O ATOM 0 H GLU A 46 -49.100 -15.599 10.837 1.00 20.00 H new ATOM 0 HA GLU A 46 -50.365 -17.981 10.214 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -51.284 -15.936 12.269 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -51.613 -17.657 12.288 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -48.901 -16.335 12.626 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -49.853 -17.099 13.884 1.00 20.00 H new ATOM 848 N ARG A 47 -52.239 -15.310 9.693 1.00 20.00 N ATOM 849 CA ARG A 47 -53.461 -14.834 9.049 1.00 20.00 C ATOM 850 C ARG A 47 -53.403 -15.076 7.545 1.00 20.00 C ATOM 851 O ARG A 47 -54.397 -15.468 6.929 1.00 20.00 O ATOM 852 CB ARG A 47 -53.675 -13.341 9.318 1.00 20.00 C ATOM 853 CG ARG A 47 -53.672 -12.964 10.794 1.00 20.00 C ATOM 854 CD ARG A 47 -54.063 -11.509 10.996 1.00 20.00 C ATOM 855 NE ARG A 47 -53.268 -10.599 10.170 1.00 20.00 N ATOM 856 CZ ARG A 47 -53.478 -9.287 10.095 1.00 20.00 C ATOM 857 NH1 ARG A 47 -54.426 -8.716 10.830 1.00 20.00 N ATOM 858 NH2 ARG A 47 -52.727 -8.541 9.298 1.00 20.00 N ATOM 0 H ARG A 47 -51.636 -14.570 10.052 1.00 20.00 H new ATOM 0 HA ARG A 47 -54.297 -15.392 9.470 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -52.894 -12.776 8.809 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -54.625 -13.037 8.879 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -54.365 -13.607 11.337 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -52.681 -13.138 11.213 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -55.119 -11.383 10.758 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -53.939 -11.244 12.046 1.00 20.00 H new ATOM 0 HE ARG A 47 -52.507 -10.995 9.618 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -54.997 -9.284 11.456 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -54.582 -7.710 10.768 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -51.988 -8.972 8.742 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -52.888 -7.535 9.240 1.00 20.00 H new ATOM 872 N ARG A 48 -52.230 -14.848 6.964 1.00 20.00 N ATOM 873 CA ARG A 48 -52.019 -15.051 5.533 1.00 20.00 C ATOM 874 C ARG A 48 -52.239 -16.512 5.165 1.00 20.00 C ATOM 875 O ARG A 48 -52.808 -16.828 4.118 1.00 20.00 O ATOM 876 CB ARG A 48 -50.598 -14.632 5.149 1.00 20.00 C ATOM 877 CG ARG A 48 -50.286 -14.783 3.668 1.00 20.00 C ATOM 878 CD ARG A 48 -48.830 -14.462 3.370 1.00 20.00 C ATOM 879 NE ARG A 48 -48.478 -13.097 3.756 1.00 20.00 N ATOM 880 CZ ARG A 48 -47.277 -12.736 4.209 1.00 20.00 C ATOM 881 NH1 ARG A 48 -46.314 -13.641 4.358 1.00 20.00 N ATOM 882 NH2 ARG A 48 -47.041 -11.467 4.521 1.00 20.00 N ATOM 0 H ARG A 48 -51.405 -14.520 7.465 1.00 20.00 H new ATOM 0 HA ARG A 48 -52.736 -14.438 4.987 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -50.447 -13.592 5.437 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -49.887 -15.228 5.722 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -50.507 -15.802 3.350 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -50.931 -14.122 3.090 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.188 -15.165 3.901 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -48.640 -14.598 2.305 1.00 20.00 H new ATOM 0 HE ARG A 48 -49.195 -12.376 3.674 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -46.492 -14.618 4.125 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -45.398 -13.358 4.705 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -47.778 -10.770 4.414 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.123 -11.189 4.868 1.00 20.00 H new ATOM 896 N MET A 49 -51.784 -17.395 6.037 1.00 20.00 N ATOM 897 CA MET A 49 -51.899 -18.827 5.818 1.00 20.00 C ATOM 898 C MET A 49 -53.310 -19.305 6.140 1.00 20.00 C ATOM 899 O MET A 49 -53.820 -20.241 5.525 1.00 20.00 O ATOM 900 CB MET A 49 -50.879 -19.562 6.689 1.00 20.00 C ATOM 901 CG MET A 49 -50.655 -21.008 6.282 1.00 20.00 C ATOM 902 SD MET A 49 -50.077 -21.169 4.581 1.00 20.00 S ATOM 903 CE MET A 49 -48.596 -20.161 4.624 1.00 20.00 C ATOM 0 H MET A 49 -51.327 -17.142 6.913 1.00 20.00 H new ATOM 0 HA MET A 49 -51.697 -19.042 4.769 1.00 20.00 H new ATOM 0 HB2 MET A 49 -49.928 -19.031 6.646 1.00 20.00 H new ATOM 0 HB3 MET A 49 -51.213 -19.534 7.726 1.00 20.00 H new ATOM 0 HG2 MET A 49 -49.926 -21.462 6.954 1.00 20.00 H new ATOM 0 HG3 MET A 49 -51.586 -21.563 6.399 1.00 20.00 H new ATOM 0 HE1 MET A 49 -47.963 -20.407 3.771 1.00 20.00 H new ATOM 0 HE2 MET A 49 -48.872 -19.107 4.579 1.00 20.00 H new ATOM 0 HE3 MET A 49 -48.051 -20.354 5.548 1.00 20.00 H new ATOM 913 N ALA A 50 -53.941 -18.637 7.098 1.00 20.00 N ATOM 914 CA ALA A 50 -55.278 -19.000 7.549 1.00 20.00 C ATOM 915 C ALA A 50 -56.302 -18.915 6.425 1.00 20.00 C ATOM 916 O ALA A 50 -57.105 -19.830 6.247 1.00 20.00 O ATOM 917 CB ALA A 50 -55.703 -18.111 8.704 1.00 20.00 C ATOM 0 H ALA A 50 -53.542 -17.832 7.582 1.00 20.00 H new ATOM 0 HA ALA A 50 -55.238 -20.037 7.883 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -56.704 -18.393 9.031 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -55.004 -18.230 9.531 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -55.707 -17.070 8.380 1.00 20.00 H new ATOM 923 N GLU A 51 -56.263 -17.827 5.659 1.00 20.00 N ATOM 924 CA GLU A 51 -57.234 -17.614 4.586 1.00 20.00 C ATOM 925 C GLU A 51 -57.095 -18.675 3.499 1.00 20.00 C ATOM 926 O GLU A 51 -58.034 -18.936 2.747 1.00 20.00 O ATOM 927 CB GLU A 51 -57.086 -16.222 3.968 1.00 20.00 C ATOM 928 CG GLU A 51 -55.788 -16.019 3.205 1.00 20.00 C ATOM 929 CD GLU A 51 -55.851 -14.835 2.266 1.00 20.00 C ATOM 930 OE1 GLU A 51 -55.614 -13.695 2.717 1.00 20.00 O ATOM 931 OE2 GLU A 51 -56.140 -15.039 1.068 1.00 20.00 O ATOM 0 H GLU A 51 -55.574 -17.082 5.760 1.00 20.00 H new ATOM 0 HA GLU A 51 -58.225 -17.694 5.032 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -57.924 -16.044 3.293 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -57.151 -15.476 4.760 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -54.972 -15.875 3.913 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -55.560 -16.920 2.635 1.00 20.00 H new ATOM 938 N ARG A 52 -55.918 -19.277 3.418 1.00 20.00 N ATOM 939 CA ARG A 52 -55.675 -20.344 2.462 1.00 20.00 C ATOM 940 C ARG A 52 -56.426 -21.597 2.889 1.00 20.00 C ATOM 941 O ARG A 52 -57.197 -22.167 2.118 1.00 20.00 O ATOM 942 CB ARG A 52 -54.175 -20.642 2.348 1.00 20.00 C ATOM 943 CG ARG A 52 -53.365 -19.522 1.709 1.00 20.00 C ATOM 944 CD ARG A 52 -51.880 -19.854 1.692 1.00 20.00 C ATOM 945 NE ARG A 52 -51.617 -21.138 1.044 1.00 20.00 N ATOM 946 CZ ARG A 52 -50.400 -21.623 0.803 1.00 20.00 C ATOM 947 NH1 ARG A 52 -49.317 -20.909 1.098 1.00 20.00 N ATOM 948 NH2 ARG A 52 -50.271 -22.823 0.252 1.00 20.00 N ATOM 0 H ARG A 52 -55.116 -19.044 4.004 1.00 20.00 H new ATOM 0 HA ARG A 52 -56.034 -20.023 1.484 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -53.778 -20.840 3.344 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -54.040 -21.552 1.764 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -53.714 -19.354 0.690 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -53.526 -18.595 2.258 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -51.338 -19.066 1.170 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -51.502 -19.879 2.714 1.00 20.00 H new ATOM 0 HE ARG A 52 -52.419 -21.700 0.757 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.415 -19.982 1.512 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -48.389 -21.289 0.910 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -51.100 -23.368 0.016 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -49.342 -23.201 0.064 1.00 20.00 H new ATOM 962 N PHE A 53 -56.227 -21.995 4.139 1.00 20.00 N ATOM 963 CA PHE A 53 -56.894 -23.168 4.683 1.00 20.00 C ATOM 964 C PHE A 53 -58.389 -22.923 4.840 1.00 20.00 C ATOM 965 O PHE A 53 -59.185 -23.855 4.782 1.00 20.00 O ATOM 966 CB PHE A 53 -56.279 -23.560 6.024 1.00 20.00 C ATOM 967 CG PHE A 53 -54.907 -24.157 5.897 1.00 20.00 C ATOM 968 CD1 PHE A 53 -54.724 -25.374 5.255 1.00 20.00 C ATOM 969 CD2 PHE A 53 -53.799 -23.509 6.420 1.00 20.00 C ATOM 970 CE1 PHE A 53 -53.465 -25.929 5.138 1.00 20.00 C ATOM 971 CE2 PHE A 53 -52.538 -24.062 6.304 1.00 20.00 C ATOM 972 CZ PHE A 53 -52.371 -25.272 5.663 1.00 20.00 C ATOM 0 H PHE A 53 -55.607 -21.521 4.796 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.755 -23.989 3.980 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -56.226 -22.679 6.663 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -56.934 -24.275 6.521 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -55.576 -25.893 4.842 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -53.923 -22.562 6.924 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -53.337 -26.877 4.636 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -51.683 -23.547 6.715 1.00 20.00 H new ATOM 0 HZ PHE A 53 -51.386 -25.704 5.572 1.00 20.00 H new ATOM 982 N ALA A 54 -58.761 -21.663 5.028 1.00 20.00 N ATOM 983 CA ALA A 54 -60.162 -21.279 5.134 1.00 20.00 C ATOM 984 C ALA A 54 -60.925 -21.668 3.873 1.00 20.00 C ATOM 985 O ALA A 54 -62.062 -22.135 3.939 1.00 20.00 O ATOM 986 CB ALA A 54 -60.281 -19.783 5.384 1.00 20.00 C ATOM 0 H ALA A 54 -58.106 -20.885 5.111 1.00 20.00 H new ATOM 0 HA ALA A 54 -60.601 -21.812 5.978 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -61.333 -19.510 5.461 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -59.771 -19.528 6.313 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -59.824 -19.239 4.558 1.00 20.00 H new ATOM 992 N LYS A 55 -60.281 -21.491 2.728 1.00 20.00 N ATOM 993 CA LYS A 55 -60.877 -21.851 1.449 1.00 20.00 C ATOM 994 C LYS A 55 -60.881 -23.365 1.272 1.00 20.00 C ATOM 995 O LYS A 55 -61.756 -23.927 0.611 1.00 20.00 O ATOM 996 CB LYS A 55 -60.110 -21.190 0.304 1.00 20.00 C ATOM 997 CG LYS A 55 -60.117 -19.670 0.355 1.00 20.00 C ATOM 998 CD LYS A 55 -59.355 -19.075 -0.814 1.00 20.00 C ATOM 999 CE LYS A 55 -59.323 -17.556 -0.748 1.00 20.00 C ATOM 1000 NZ LYS A 55 -58.625 -17.060 0.467 1.00 20.00 N ATOM 0 H LYS A 55 -59.342 -21.099 2.659 1.00 20.00 H new ATOM 0 HA LYS A 55 -61.907 -21.495 1.434 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -59.078 -21.540 0.321 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -60.540 -21.514 -0.644 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -61.145 -19.309 0.343 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -59.672 -19.333 1.291 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -58.336 -19.461 -0.819 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -59.819 -19.389 -1.749 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -58.825 -17.166 -1.636 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -60.343 -17.172 -0.761 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -59.298 -16.542 1.067 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -58.237 -17.866 0.998 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -57.851 -16.424 0.187 1.00 20.00 H new ATOM 1014 N MET A 56 -59.908 -24.021 1.891 1.00 20.00 N ATOM 1015 CA MET A 56 -59.778 -25.474 1.811 1.00 20.00 C ATOM 1016 C MET A 56 -60.776 -26.163 2.738 1.00 20.00 C ATOM 1017 O MET A 56 -60.907 -27.387 2.729 1.00 20.00 O ATOM 1018 CB MET A 56 -58.352 -25.904 2.171 1.00 20.00 C ATOM 1019 CG MET A 56 -57.289 -25.402 1.202 1.00 20.00 C ATOM 1020 SD MET A 56 -55.613 -25.805 1.738 1.00 20.00 S ATOM 1021 CE MET A 56 -55.718 -27.587 1.887 1.00 20.00 C ATOM 0 H MET A 56 -59.192 -23.568 2.458 1.00 20.00 H new ATOM 0 HA MET A 56 -59.993 -25.774 0.785 1.00 20.00 H new ATOM 0 HB2 MET A 56 -58.116 -25.542 3.172 1.00 20.00 H new ATOM 0 HB3 MET A 56 -58.310 -26.993 2.208 1.00 20.00 H new ATOM 0 HG2 MET A 56 -57.466 -25.836 0.218 1.00 20.00 H new ATOM 0 HG3 MET A 56 -57.382 -24.321 1.095 1.00 20.00 H new ATOM 0 HE1 MET A 56 -54.715 -28.013 1.876 1.00 20.00 H new ATOM 0 HE2 MET A 56 -56.212 -27.845 2.824 1.00 20.00 H new ATOM 0 HE3 MET A 56 -56.292 -27.989 1.052 1.00 20.00 H new ATOM 1031 N ARG A 57 -61.462 -25.374 3.555 1.00 20.00 N ATOM 1032 CA ARG A 57 -62.494 -25.900 4.439 1.00 20.00 C ATOM 1033 C ARG A 57 -63.861 -25.764 3.791 1.00 20.00 C ATOM 1034 O ARG A 57 -64.799 -26.484 4.132 1.00 20.00 O ATOM 1035 CB ARG A 57 -62.459 -25.182 5.787 1.00 20.00 C ATOM 1036 CG ARG A 57 -61.171 -25.431 6.548 1.00 20.00 C ATOM 1037 CD ARG A 57 -61.102 -24.627 7.833 1.00 20.00 C ATOM 1038 NE ARG A 57 -59.815 -24.804 8.497 1.00 20.00 N ATOM 1039 CZ ARG A 57 -59.331 -23.984 9.424 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -60.034 -22.927 9.816 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -58.138 -24.224 9.953 1.00 20.00 N ATOM 0 H ARG A 57 -61.322 -24.366 3.624 1.00 20.00 H new ATOM 0 HA ARG A 57 -62.300 -26.958 4.613 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -62.581 -24.111 5.627 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -63.304 -25.512 6.392 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -61.087 -26.493 6.780 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -60.321 -25.175 5.915 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -61.259 -23.571 7.613 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -61.905 -24.936 8.502 1.00 20.00 H new ATOM 0 HE ARG A 57 -59.249 -25.610 8.232 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -60.949 -22.742 9.405 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -59.659 -22.300 10.528 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -57.598 -25.034 9.648 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -57.761 -23.599 10.665 1.00 20.00 H new ATOM 1055 N LYS A 58 -63.967 -24.833 2.854 1.00 20.00 N ATOM 1056 CA LYS A 58 -65.173 -24.700 2.056 1.00 20.00 C ATOM 1057 C LYS A 58 -65.137 -25.722 0.933 1.00 20.00 C ATOM 1058 O LYS A 58 -66.091 -26.466 0.713 1.00 20.00 O ATOM 1059 CB LYS A 58 -65.290 -23.292 1.465 1.00 20.00 C ATOM 1060 CG LYS A 58 -65.315 -22.179 2.499 1.00 20.00 C ATOM 1061 CD LYS A 58 -65.416 -20.821 1.825 1.00 20.00 C ATOM 1062 CE LYS A 58 -65.417 -19.683 2.829 1.00 20.00 C ATOM 1063 NZ LYS A 58 -65.536 -18.363 2.157 1.00 20.00 N ATOM 0 H LYS A 58 -63.233 -24.161 2.629 1.00 20.00 H new ATOM 0 HA LYS A 58 -66.038 -24.872 2.696 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -64.452 -23.124 0.788 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -66.199 -23.236 0.867 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -66.161 -22.320 3.172 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -64.412 -22.222 3.108 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -64.580 -20.696 1.137 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -66.328 -20.779 1.230 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -66.244 -19.813 3.527 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -64.498 -19.713 3.415 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -65.534 -17.608 2.872 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -64.733 -18.229 1.510 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -66.425 -18.327 1.618 1.00 20.00 H new ATOM 1077 N GLU A 59 -64.011 -25.756 0.239 1.00 20.00 N ATOM 1078 CA GLU A 59 -63.793 -26.700 -0.840 1.00 20.00 C ATOM 1079 C GLU A 59 -62.623 -27.605 -0.474 1.00 20.00 C ATOM 1080 O GLU A 59 -61.462 -27.229 -0.634 1.00 20.00 O ATOM 1081 CB GLU A 59 -63.502 -25.954 -2.143 1.00 20.00 C ATOM 1082 CG GLU A 59 -64.592 -24.972 -2.552 1.00 20.00 C ATOM 1083 CD GLU A 59 -65.890 -25.652 -2.943 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -65.963 -26.193 -4.063 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -66.852 -25.629 -2.145 1.00 20.00 O ATOM 0 H GLU A 59 -63.224 -25.130 0.409 1.00 20.00 H new ATOM 0 HA GLU A 59 -64.688 -27.304 -0.987 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -62.561 -25.413 -2.038 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -63.364 -26.681 -2.943 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -64.783 -24.286 -1.727 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -64.236 -24.372 -3.390 1.00 20.00 H new ATOM 1092 N ARG A 60 -62.931 -28.784 0.040 1.00 20.00 N ATOM 1093 CA ARG A 60 -61.911 -29.695 0.538 1.00 20.00 C ATOM 1094 C ARG A 60 -61.264 -30.467 -0.610 1.00 20.00 C ATOM 1095 O ARG A 60 -61.910 -30.727 -1.628 1.00 20.00 O ATOM 1096 CB ARG A 60 -62.535 -30.664 1.548 1.00 20.00 C ATOM 1097 CG ARG A 60 -61.520 -31.484 2.326 1.00 20.00 C ATOM 1098 CD ARG A 60 -62.203 -32.415 3.314 1.00 20.00 C ATOM 1099 NE ARG A 60 -61.240 -33.155 4.125 1.00 20.00 N ATOM 1100 CZ ARG A 60 -61.570 -34.138 4.962 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -62.837 -34.515 5.089 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -60.627 -34.740 5.679 1.00 20.00 N ATOM 0 H ARG A 60 -63.885 -29.135 0.124 1.00 20.00 H new ATOM 0 HA ARG A 60 -61.133 -29.113 1.032 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -63.144 -30.097 2.252 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -63.206 -31.341 1.019 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -60.913 -32.067 1.634 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -60.843 -30.817 2.860 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -62.856 -31.835 3.966 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -62.836 -33.118 2.772 1.00 20.00 H new ATOM 0 HE ARG A 60 -60.255 -32.904 4.046 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -63.564 -34.051 4.544 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -63.083 -35.268 5.731 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -59.654 -34.449 5.588 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -60.877 -35.493 6.320 1.00 20.00 H new ATOM 1116 N SER A 61 -59.989 -30.824 -0.428 1.00 20.00 N ATOM 1117 CA SER A 61 -59.209 -31.586 -1.408 1.00 20.00 C ATOM 1118 C SER A 61 -59.257 -30.947 -2.800 1.00 20.00 C ATOM 1119 O SER A 61 -60.030 -31.359 -3.667 1.00 20.00 O ATOM 1120 CB SER A 61 -59.656 -33.064 -1.454 1.00 20.00 C ATOM 1121 OG SER A 61 -61.065 -33.195 -1.565 1.00 20.00 O ATOM 0 H SER A 61 -59.463 -30.589 0.414 1.00 20.00 H new ATOM 0 HA SER A 61 -58.170 -31.562 -1.079 1.00 20.00 H new ATOM 0 HB2 SER A 61 -59.179 -33.560 -2.299 1.00 20.00 H new ATOM 0 HB3 SER A 61 -59.315 -33.573 -0.552 1.00 20.00 H new ATOM 0 HG SER A 61 -61.436 -32.390 -1.983 1.00 20.00 H new ATOM 1127 N LYS A 62 -58.417 -29.939 -3.007 1.00 20.00 N ATOM 1128 CA LYS A 62 -58.355 -29.240 -4.287 1.00 20.00 C ATOM 1129 C LYS A 62 -57.377 -29.935 -5.225 1.00 20.00 C ATOM 1130 O LYS A 62 -57.210 -29.540 -6.379 1.00 20.00 O ATOM 1131 CB LYS A 62 -57.938 -27.780 -4.084 1.00 20.00 C ATOM 1132 CG LYS A 62 -58.828 -27.014 -3.113 1.00 20.00 C ATOM 1133 CD LYS A 62 -60.286 -27.014 -3.550 1.00 20.00 C ATOM 1134 CE LYS A 62 -60.498 -26.263 -4.858 1.00 20.00 C ATOM 1135 NZ LYS A 62 -60.117 -24.828 -4.750 1.00 20.00 N ATOM 0 H LYS A 62 -57.768 -29.586 -2.304 1.00 20.00 H new ATOM 0 HA LYS A 62 -59.348 -29.260 -4.735 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -56.911 -27.753 -3.719 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -57.947 -27.272 -5.048 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -58.748 -27.458 -2.121 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -58.474 -25.986 -3.032 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -60.629 -28.042 -3.665 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -60.897 -26.560 -2.770 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -59.910 -26.735 -5.645 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -61.545 -26.338 -5.153 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -60.462 -24.313 -5.585 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -60.540 -24.420 -3.892 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -59.082 -24.747 -4.697 1.00 20.00 H new ATOM 1149 N GLN A 63 -56.725 -30.964 -4.710 1.00 20.00 N ATOM 1150 CA GLN A 63 -55.806 -31.767 -5.502 1.00 20.00 C ATOM 1151 C GLN A 63 -56.578 -32.575 -6.535 1.00 20.00 C ATOM 1152 O GLN A 63 -56.430 -32.306 -7.746 1.00 20.00 O ATOM 1153 CB GLN A 63 -55.002 -32.702 -4.599 1.00 20.00 C ATOM 1154 CG GLN A 63 -54.100 -31.978 -3.617 1.00 20.00 C ATOM 1155 CD GLN A 63 -53.369 -32.932 -2.693 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -53.852 -33.260 -1.608 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -52.207 -33.391 -3.120 1.00 20.00 N ATOM 1158 OXT GLN A 63 -57.366 -33.452 -6.126 1.00 20.00 O ATOM 0 H GLN A 63 -56.816 -31.265 -3.740 1.00 20.00 H new ATOM 0 HA GLN A 63 -55.114 -31.100 -6.017 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -55.692 -33.338 -4.044 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -54.394 -33.359 -5.221 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -53.373 -31.381 -4.168 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -54.696 -31.286 -3.022 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -51.843 -33.094 -4.025 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -51.674 -34.043 -2.545 1.00 20.00 H new TER 1167 GLN A 63