USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 547 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 21 CYS SG : rot 64:sc= -20.5! USER MOD Set 1.2: A 38 CYS SG : rot -162:sc= -19.7! USER MOD Set 2.1: A 36 CYS SG : rot -23:sc= -20.4! USER MOD Set 2.2: A 62 CYS SG : rot -117:sc= -24.2! USER MOD Set 3.1: A 13 SER OG : rot -133:sc= 0.0492 USER MOD Set 3.2: A 27 SER OG : rot -80:sc= -0.715 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0684 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.91 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.154 X(o=-0.15,f=0.21) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.0011) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= 0.162 (180deg=0.00523) USER MOD Single : A 65 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 2.341 1.402 -1.760 1.00 65.42 C ATOM 4 O GLY A 1 2.046 2.396 -1.097 1.00 52.25 O ATOM 0 H1 GLY A 1 1.869 -0.516 0.724 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.178 0.980 0.314 1.00 13.00 H new ATOM 0 H3 GLY A 1 0.410 -0.464 -0.143 1.00 13.00 H new ATOM 0 HA2 GLY A 1 3.018 -0.519 -1.104 1.00 45.03 H new ATOM 0 HA3 GLY A 1 1.512 -0.556 -1.999 1.00 45.03 H new ATOM 8 N PRO A 2 2.918 1.493 -2.968 1.00 21.13 N ATOM 9 CA PRO A 2 3.242 2.778 -3.595 1.00 71.53 C ATOM 10 C PRO A 2 1.995 3.544 -4.024 1.00 62.44 C ATOM 11 O PRO A 2 0.877 3.178 -3.664 1.00 10.11 O ATOM 12 CB PRO A 2 4.070 2.376 -4.818 1.00 42.04 C ATOM 13 CG PRO A 2 3.632 0.988 -5.134 1.00 32.45 C ATOM 14 CD PRO A 2 3.298 0.349 -3.814 1.00 1.03 C ATOM 0 HA PRO A 2 3.764 3.446 -2.910 1.00 71.53 H new ATOM 0 HB2 PRO A 2 3.889 3.048 -5.657 1.00 42.04 H new ATOM 0 HB3 PRO A 2 5.138 2.415 -4.603 1.00 42.04 H new ATOM 0 HG2 PRO A 2 2.766 0.993 -5.795 1.00 32.45 H new ATOM 0 HG3 PRO A 2 4.421 0.437 -5.646 1.00 32.45 H new ATOM 0 HD2 PRO A 2 2.483 -0.368 -3.910 1.00 1.03 H new ATOM 0 HD3 PRO A 2 4.151 -0.190 -3.401 1.00 1.03 H new ATOM 22 N GLU A 3 2.196 4.607 -4.796 1.00 40.13 N ATOM 23 CA GLU A 3 1.087 5.424 -5.274 1.00 14.25 C ATOM 24 C GLU A 3 0.646 4.983 -6.666 1.00 41.35 C ATOM 25 O GLU A 3 0.046 5.756 -7.414 1.00 72.21 O ATOM 26 CB GLU A 3 1.485 6.901 -5.296 1.00 51.44 C ATOM 27 CG GLU A 3 0.675 7.765 -4.344 1.00 21.00 C ATOM 28 CD GLU A 3 1.327 7.901 -2.982 1.00 5.11 C ATOM 29 OE1 GLU A 3 2.233 7.098 -2.674 1.00 50.32 O ATOM 30 OE2 GLU A 3 0.932 8.811 -2.224 1.00 0.42 O ATOM 0 H GLU A 3 3.116 4.922 -5.104 1.00 40.13 H new ATOM 0 HA GLU A 3 0.250 5.291 -4.589 1.00 14.25 H new ATOM 0 HB2 GLU A 3 2.541 6.988 -5.042 1.00 51.44 H new ATOM 0 HB3 GLU A 3 1.369 7.285 -6.310 1.00 51.44 H new ATOM 0 HG2 GLU A 3 0.544 8.755 -4.780 1.00 21.00 H new ATOM 0 HG3 GLU A 3 -0.319 7.335 -4.225 1.00 21.00 H new ATOM 37 N LYS A 4 0.949 3.736 -7.009 1.00 60.21 N ATOM 38 CA LYS A 4 0.585 3.190 -8.311 1.00 31.50 C ATOM 39 C LYS A 4 1.205 4.009 -9.438 1.00 3.32 C ATOM 40 O LYS A 4 0.592 4.948 -9.945 1.00 2.34 O ATOM 41 CB LYS A 4 -0.937 3.159 -8.467 1.00 32.15 C ATOM 42 CG LYS A 4 -1.534 1.768 -8.338 1.00 1.13 C ATOM 43 CD LYS A 4 -3.038 1.824 -8.126 1.00 25.23 C ATOM 44 CE LYS A 4 -3.567 0.522 -7.544 1.00 10.01 C ATOM 45 NZ LYS A 4 -3.841 0.637 -6.085 1.00 2.53 N ATOM 0 H LYS A 4 1.446 3.084 -6.403 1.00 60.21 H new ATOM 0 HA LYS A 4 0.971 2.172 -8.370 1.00 31.50 H new ATOM 0 HB2 LYS A 4 -1.384 3.808 -7.714 1.00 32.15 H new ATOM 0 HB3 LYS A 4 -1.202 3.570 -9.441 1.00 32.15 H new ATOM 0 HG2 LYS A 4 -1.314 1.192 -9.237 1.00 1.13 H new ATOM 0 HG3 LYS A 4 -1.067 1.247 -7.502 1.00 1.13 H new ATOM 0 HD2 LYS A 4 -3.282 2.649 -7.456 1.00 25.23 H new ATOM 0 HD3 LYS A 4 -3.533 2.027 -9.076 1.00 25.23 H new ATOM 0 HE2 LYS A 4 -4.482 0.237 -8.064 1.00 10.01 H new ATOM 0 HE3 LYS A 4 -2.842 -0.274 -7.716 1.00 10.01 H new ATOM 0 HZ1 LYS A 4 -4.200 -0.271 -5.727 1.00 2.53 H new ATOM 0 HZ2 LYS A 4 -2.963 0.884 -5.585 1.00 2.53 H new ATOM 0 HZ3 LYS A 4 -4.552 1.379 -5.923 1.00 2.53 H new ATOM 59 N MET A 5 2.424 3.647 -9.826 1.00 34.23 N ATOM 60 CA MET A 5 3.125 4.348 -10.895 1.00 30.11 C ATOM 61 C MET A 5 3.164 3.503 -12.164 1.00 44.14 C ATOM 62 O MET A 5 4.135 3.547 -12.920 1.00 12.44 O ATOM 63 CB MET A 5 4.548 4.697 -10.457 1.00 5.44 C ATOM 64 CG MET A 5 4.609 5.803 -9.415 1.00 24.43 C ATOM 65 SD MET A 5 5.349 5.255 -7.864 1.00 14.11 S ATOM 66 CE MET A 5 5.431 6.801 -6.964 1.00 2.42 C ATOM 0 H MET A 5 2.946 2.873 -9.416 1.00 34.23 H new ATOM 0 HA MET A 5 2.582 5.269 -11.109 1.00 30.11 H new ATOM 0 HB2 MET A 5 5.025 3.803 -10.055 1.00 5.44 H new ATOM 0 HB3 MET A 5 5.124 5.000 -11.331 1.00 5.44 H new ATOM 0 HG2 MET A 5 5.184 6.640 -9.812 1.00 24.43 H new ATOM 0 HG3 MET A 5 3.601 6.172 -9.222 1.00 24.43 H new ATOM 0 HE1 MET A 5 5.868 6.627 -5.981 1.00 2.42 H new ATOM 0 HE2 MET A 5 6.048 7.510 -7.515 1.00 2.42 H new ATOM 0 HE3 MET A 5 4.427 7.208 -6.848 1.00 2.42 H new ATOM 76 N GLU A 6 2.104 2.735 -12.392 1.00 34.21 N ATOM 77 CA GLU A 6 2.019 1.880 -13.570 1.00 23.51 C ATOM 78 C GLU A 6 0.620 1.927 -14.178 1.00 5.21 C ATOM 79 O GLU A 6 -0.105 0.932 -14.174 1.00 44.30 O ATOM 80 CB GLU A 6 2.381 0.438 -13.208 1.00 30.44 C ATOM 81 CG GLU A 6 3.636 0.320 -12.360 1.00 23.42 C ATOM 82 CD GLU A 6 4.011 -1.121 -12.070 1.00 1.23 C ATOM 83 OE1 GLU A 6 3.150 -2.006 -12.255 1.00 33.14 O ATOM 84 OE2 GLU A 6 5.165 -1.363 -11.658 1.00 12.11 O ATOM 0 H GLU A 6 1.292 2.687 -11.777 1.00 34.21 H new ATOM 0 HA GLU A 6 2.730 2.252 -14.308 1.00 23.51 H new ATOM 0 HB2 GLU A 6 1.546 -0.013 -12.672 1.00 30.44 H new ATOM 0 HB3 GLU A 6 2.517 -0.135 -14.125 1.00 30.44 H new ATOM 0 HG2 GLU A 6 4.464 0.811 -12.872 1.00 23.42 H new ATOM 0 HG3 GLU A 6 3.485 0.849 -11.419 1.00 23.42 H new ATOM 91 N VAL A 7 0.248 3.092 -14.700 1.00 32.43 N ATOM 92 CA VAL A 7 -1.063 3.270 -15.312 1.00 13.40 C ATOM 93 C VAL A 7 -1.275 2.284 -16.455 1.00 40.22 C ATOM 94 O VAL A 7 -0.364 1.545 -16.829 1.00 34.41 O ATOM 95 CB VAL A 7 -1.243 4.704 -15.845 1.00 41.15 C ATOM 96 CG1 VAL A 7 -1.168 5.711 -14.708 1.00 24.34 C ATOM 97 CG2 VAL A 7 -0.200 5.011 -16.909 1.00 62.34 C ATOM 0 H VAL A 7 0.836 3.926 -14.711 1.00 32.43 H new ATOM 0 HA VAL A 7 -1.803 3.084 -14.534 1.00 13.40 H new ATOM 0 HB VAL A 7 -2.230 4.782 -16.302 1.00 41.15 H new ATOM 0 HG11 VAL A 7 -1.297 6.718 -15.105 1.00 24.34 H new ATOM 0 HG12 VAL A 7 -1.956 5.502 -13.984 1.00 24.34 H new ATOM 0 HG13 VAL A 7 -0.197 5.636 -14.219 1.00 24.34 H new ATOM 0 HG21 VAL A 7 -0.342 6.028 -17.275 1.00 62.34 H new ATOM 0 HG22 VAL A 7 0.797 4.916 -16.479 1.00 62.34 H new ATOM 0 HG23 VAL A 7 -0.307 4.310 -17.737 1.00 62.34 H new ATOM 107 N LYS A 8 -2.483 2.279 -17.008 1.00 71.43 N ATOM 108 CA LYS A 8 -2.816 1.385 -18.111 1.00 71.11 C ATOM 109 C LYS A 8 -3.717 2.083 -19.125 1.00 0.54 C ATOM 110 O LYS A 8 -3.450 2.059 -20.325 1.00 41.35 O ATOM 111 CB LYS A 8 -3.506 0.125 -17.583 1.00 63.22 C ATOM 112 CG LYS A 8 -3.037 -1.153 -18.257 1.00 44.01 C ATOM 113 CD LYS A 8 -4.104 -1.724 -19.175 1.00 54.43 C ATOM 114 CE LYS A 8 -3.725 -3.108 -19.679 1.00 1.32 C ATOM 115 NZ LYS A 8 -3.485 -3.117 -21.149 1.00 11.25 N ATOM 0 H LYS A 8 -3.248 2.884 -16.710 1.00 71.43 H new ATOM 0 HA LYS A 8 -1.888 1.103 -18.609 1.00 71.11 H new ATOM 0 HB2 LYS A 8 -3.329 0.046 -16.510 1.00 63.22 H new ATOM 0 HB3 LYS A 8 -4.582 0.225 -17.722 1.00 63.22 H new ATOM 0 HG2 LYS A 8 -2.132 -0.952 -18.831 1.00 44.01 H new ATOM 0 HG3 LYS A 8 -2.776 -1.891 -17.498 1.00 44.01 H new ATOM 0 HD2 LYS A 8 -5.053 -1.777 -18.642 1.00 54.43 H new ATOM 0 HD3 LYS A 8 -4.252 -1.055 -20.023 1.00 54.43 H new ATOM 0 HE2 LYS A 8 -2.828 -3.449 -19.163 1.00 1.32 H new ATOM 0 HE3 LYS A 8 -4.520 -3.813 -19.437 1.00 1.32 H new ATOM 0 HZ1 LYS A 8 -3.229 -4.078 -21.453 1.00 11.25 H new ATOM 0 HZ2 LYS A 8 -4.349 -2.816 -21.644 1.00 11.25 H new ATOM 0 HZ3 LYS A 8 -2.709 -2.463 -21.378 1.00 11.25 H new ATOM 129 N GLU A 9 -4.783 2.706 -18.632 1.00 33.22 N ATOM 130 CA GLU A 9 -5.722 3.411 -19.496 1.00 13.42 C ATOM 131 C GLU A 9 -6.354 2.458 -20.506 1.00 32.01 C ATOM 132 O GLU A 9 -6.205 1.240 -20.403 1.00 42.11 O ATOM 133 CB GLU A 9 -5.016 4.554 -20.229 1.00 63.50 C ATOM 134 CG GLU A 9 -4.057 5.340 -19.351 1.00 23.53 C ATOM 135 CD GLU A 9 -4.760 6.052 -18.212 1.00 3.32 C ATOM 136 OE1 GLU A 9 -5.464 7.048 -18.479 1.00 4.41 O ATOM 137 OE2 GLU A 9 -4.606 5.613 -17.053 1.00 23.12 O ATOM 0 H GLU A 9 -5.017 2.737 -17.640 1.00 33.22 H new ATOM 0 HA GLU A 9 -6.512 3.824 -18.869 1.00 13.42 H new ATOM 0 HB2 GLU A 9 -4.467 4.146 -21.077 1.00 63.50 H new ATOM 0 HB3 GLU A 9 -5.766 5.234 -20.632 1.00 63.50 H new ATOM 0 HG2 GLU A 9 -3.306 4.663 -18.943 1.00 23.53 H new ATOM 0 HG3 GLU A 9 -3.529 6.072 -19.961 1.00 23.53 H new ATOM 144 N ILE A 10 -7.061 3.021 -21.480 1.00 44.13 N ATOM 145 CA ILE A 10 -7.715 2.222 -22.509 1.00 23.11 C ATOM 146 C ILE A 10 -6.874 2.167 -23.780 1.00 22.42 C ATOM 147 O ILE A 10 -7.304 2.616 -24.841 1.00 63.13 O ATOM 148 CB ILE A 10 -9.109 2.779 -22.853 1.00 63.01 C ATOM 149 CG1 ILE A 10 -9.913 3.025 -21.575 1.00 73.01 C ATOM 150 CG2 ILE A 10 -9.849 1.822 -23.775 1.00 63.24 C ATOM 151 CD1 ILE A 10 -10.318 4.470 -21.384 1.00 43.15 C ATOM 0 H ILE A 10 -7.196 4.027 -21.578 1.00 44.13 H new ATOM 0 HA ILE A 10 -7.824 1.216 -22.105 1.00 23.11 H new ATOM 0 HB ILE A 10 -8.987 3.730 -23.372 1.00 63.01 H new ATOM 0 HG12 ILE A 10 -10.809 2.405 -21.594 1.00 73.01 H new ATOM 0 HG13 ILE A 10 -9.322 2.705 -20.717 1.00 73.01 H new ATOM 0 HG21 ILE A 10 -10.832 2.230 -24.009 1.00 63.24 H new ATOM 0 HG22 ILE A 10 -9.281 1.692 -24.696 1.00 63.24 H new ATOM 0 HG23 ILE A 10 -9.964 0.857 -23.281 1.00 63.24 H new ATOM 0 HD11 ILE A 10 -10.885 4.570 -20.458 1.00 43.15 H new ATOM 0 HD12 ILE A 10 -9.426 5.094 -21.332 1.00 43.15 H new ATOM 0 HD13 ILE A 10 -10.936 4.789 -22.224 1.00 43.15 H new ATOM 163 N GLY A 11 -5.672 1.610 -23.664 1.00 3.21 N ATOM 164 CA GLY A 11 -4.790 1.504 -24.811 1.00 45.34 C ATOM 165 C GLY A 11 -4.973 0.203 -25.566 1.00 33.41 C ATOM 166 O GLY A 11 -4.291 -0.784 -25.290 1.00 31.44 O ATOM 0 H GLY A 11 -5.294 1.230 -22.796 1.00 3.21 H new ATOM 0 HA2 GLY A 11 -4.974 2.340 -25.485 1.00 45.34 H new ATOM 0 HA3 GLY A 11 -3.755 1.585 -24.478 1.00 45.34 H new ATOM 170 N ARG A 12 -5.898 0.199 -26.520 1.00 53.01 N ATOM 171 CA ARG A 12 -6.172 -0.992 -27.315 1.00 22.44 C ATOM 172 C ARG A 12 -6.027 -0.697 -28.805 1.00 31.23 C ATOM 173 O ARG A 12 -6.983 -0.828 -29.569 1.00 51.31 O ATOM 174 CB ARG A 12 -7.579 -1.515 -27.022 1.00 14.25 C ATOM 175 CG ARG A 12 -7.677 -2.313 -25.732 1.00 3.45 C ATOM 176 CD ARG A 12 -8.430 -3.617 -25.939 1.00 23.41 C ATOM 177 NE ARG A 12 -9.876 -3.416 -25.970 1.00 42.21 N ATOM 178 CZ ARG A 12 -10.601 -3.129 -24.895 1.00 32.22 C ATOM 179 NH1 ARG A 12 -10.018 -3.011 -23.710 1.00 10.40 N ATOM 180 NH2 ARG A 12 -11.913 -2.960 -25.004 1.00 3.14 N ATOM 0 H ARG A 12 -6.471 1.008 -26.761 1.00 53.01 H new ATOM 0 HA ARG A 12 -5.444 -1.756 -27.041 1.00 22.44 H new ATOM 0 HB2 ARG A 12 -8.267 -0.671 -26.970 1.00 14.25 H new ATOM 0 HB3 ARG A 12 -7.905 -2.142 -27.852 1.00 14.25 H new ATOM 0 HG2 ARG A 12 -6.676 -2.525 -25.358 1.00 3.45 H new ATOM 0 HG3 ARG A 12 -8.182 -1.717 -24.972 1.00 3.45 H new ATOM 0 HD2 ARG A 12 -8.108 -4.077 -26.873 1.00 23.41 H new ATOM 0 HD3 ARG A 12 -8.178 -4.312 -25.138 1.00 23.41 H new ATOM 0 HE ARG A 12 -10.355 -3.501 -26.866 1.00 42.21 H new ATOM 0 HH11 ARG A 12 -9.010 -3.141 -23.622 1.00 10.40 H new ATOM 0 HH12 ARG A 12 -10.577 -2.790 -22.886 1.00 10.40 H new ATOM 0 HH21 ARG A 12 -12.365 -3.051 -25.914 1.00 3.14 H new ATOM 0 HH22 ARG A 12 -12.469 -2.740 -24.178 1.00 3.14 H new ATOM 194 N SER A 13 -4.826 -0.298 -29.210 1.00 23.32 N ATOM 195 CA SER A 13 -4.557 0.020 -30.607 1.00 62.33 C ATOM 196 C SER A 13 -3.056 0.044 -30.880 1.00 1.32 C ATOM 197 O SER A 13 -2.246 -0.163 -29.976 1.00 73.41 O ATOM 198 CB SER A 13 -5.175 1.370 -30.973 1.00 53.40 C ATOM 199 OG SER A 13 -5.352 1.488 -32.374 1.00 65.12 O ATOM 0 H SER A 13 -4.023 -0.187 -28.590 1.00 23.32 H new ATOM 0 HA SER A 13 -5.008 -0.757 -31.224 1.00 62.33 H new ATOM 0 HB2 SER A 13 -6.136 1.481 -30.471 1.00 53.40 H new ATOM 0 HB3 SER A 13 -4.534 2.176 -30.615 1.00 53.40 H new ATOM 0 HG SER A 13 -5.018 2.359 -32.674 1.00 65.12 H new ATOM 205 N SER A 14 -2.692 0.300 -32.133 1.00 34.34 N ATOM 206 CA SER A 14 -1.289 0.348 -32.527 1.00 33.14 C ATOM 207 C SER A 14 -0.815 1.791 -32.671 1.00 60.33 C ATOM 208 O SER A 14 -0.004 2.106 -33.542 1.00 43.01 O ATOM 209 CB SER A 14 -1.081 -0.404 -33.843 1.00 12.32 C ATOM 210 OG SER A 14 -0.967 -1.799 -33.621 1.00 3.40 O ATOM 0 H SER A 14 -3.350 0.477 -32.892 1.00 34.34 H new ATOM 0 HA SER A 14 -0.700 -0.133 -31.746 1.00 33.14 H new ATOM 0 HB2 SER A 14 -1.917 -0.207 -34.514 1.00 12.32 H new ATOM 0 HB3 SER A 14 -0.182 -0.037 -34.337 1.00 12.32 H new ATOM 0 HG SER A 14 -0.836 -2.257 -34.478 1.00 3.40 H new ATOM 216 N LYS A 15 -1.327 2.664 -31.811 1.00 52.20 N ATOM 217 CA LYS A 15 -0.957 4.074 -31.840 1.00 0.22 C ATOM 218 C LYS A 15 0.497 4.264 -31.421 1.00 23.44 C ATOM 219 O LYS A 15 1.000 3.552 -30.550 1.00 73.34 O ATOM 220 CB LYS A 15 -1.874 4.882 -30.919 1.00 3.34 C ATOM 221 CG LYS A 15 -1.534 4.740 -29.445 1.00 42.11 C ATOM 222 CD LYS A 15 -2.061 3.434 -28.875 1.00 23.12 C ATOM 223 CE LYS A 15 -0.946 2.414 -28.696 1.00 55.03 C ATOM 224 NZ LYS A 15 -1.167 1.555 -27.500 1.00 0.32 N ATOM 0 H LYS A 15 -2.000 2.420 -31.085 1.00 52.20 H new ATOM 0 HA LYS A 15 -1.072 4.433 -32.863 1.00 0.22 H new ATOM 0 HB2 LYS A 15 -1.818 5.935 -31.196 1.00 3.34 H new ATOM 0 HB3 LYS A 15 -2.905 4.565 -31.078 1.00 3.34 H new ATOM 0 HG2 LYS A 15 -0.453 4.785 -29.314 1.00 42.11 H new ATOM 0 HG3 LYS A 15 -1.958 5.577 -28.891 1.00 42.11 H new ATOM 0 HD2 LYS A 15 -2.541 3.622 -27.915 1.00 23.12 H new ATOM 0 HD3 LYS A 15 -2.824 3.028 -29.539 1.00 23.12 H new ATOM 0 HE2 LYS A 15 -0.880 1.788 -29.586 1.00 55.03 H new ATOM 0 HE3 LYS A 15 0.008 2.932 -28.600 1.00 55.03 H new ATOM 0 HZ1 LYS A 15 -0.386 0.874 -27.413 1.00 0.32 H new ATOM 0 HZ2 LYS A 15 -1.204 2.150 -26.648 1.00 0.32 H new ATOM 0 HZ3 LYS A 15 -2.065 1.041 -27.603 1.00 0.32 H new ATOM 238 N ILE A 16 1.167 5.227 -32.043 1.00 42.35 N ATOM 239 CA ILE A 16 2.563 5.511 -31.732 1.00 73.13 C ATOM 240 C ILE A 16 3.014 6.819 -32.373 1.00 14.45 C ATOM 241 O ILE A 16 2.313 7.385 -33.212 1.00 15.31 O ATOM 242 CB ILE A 16 3.488 4.375 -32.207 1.00 75.32 C ATOM 243 CG1 ILE A 16 2.831 3.597 -33.349 1.00 72.43 C ATOM 244 CG2 ILE A 16 3.822 3.446 -31.050 1.00 22.41 C ATOM 245 CD1 ILE A 16 3.773 2.644 -34.051 1.00 72.05 C ATOM 0 H ILE A 16 0.766 5.825 -32.766 1.00 42.35 H new ATOM 0 HA ILE A 16 2.633 5.597 -30.648 1.00 73.13 H new ATOM 0 HB ILE A 16 4.416 4.812 -32.576 1.00 75.32 H new ATOM 0 HG12 ILE A 16 1.985 3.034 -32.955 1.00 72.43 H new ATOM 0 HG13 ILE A 16 2.433 4.304 -34.077 1.00 72.43 H new ATOM 0 HG21 ILE A 16 4.476 2.648 -31.401 1.00 22.41 H new ATOM 0 HG22 ILE A 16 4.326 4.009 -30.265 1.00 22.41 H new ATOM 0 HG23 ILE A 16 2.903 3.014 -30.654 1.00 22.41 H new ATOM 0 HD11 ILE A 16 3.240 2.127 -34.849 1.00 72.05 H new ATOM 0 HD12 ILE A 16 4.607 3.203 -34.475 1.00 72.05 H new ATOM 0 HD13 ILE A 16 4.152 1.914 -33.336 1.00 72.05 H new ATOM 257 N ILE A 17 4.188 7.294 -31.972 1.00 24.40 N ATOM 258 CA ILE A 17 4.734 8.534 -32.509 1.00 23.21 C ATOM 259 C ILE A 17 6.020 8.277 -33.288 1.00 74.24 C ATOM 260 O ILE A 17 6.628 7.212 -33.171 1.00 13.13 O ATOM 261 CB ILE A 17 5.021 9.554 -31.391 1.00 34.52 C ATOM 262 CG1 ILE A 17 6.030 8.980 -30.394 1.00 13.12 C ATOM 263 CG2 ILE A 17 3.730 9.940 -30.684 1.00 3.25 C ATOM 264 CD1 ILE A 17 5.391 8.187 -29.276 1.00 35.42 C ATOM 0 H ILE A 17 4.780 6.839 -31.277 1.00 24.40 H new ATOM 0 HA ILE A 17 3.980 8.945 -33.181 1.00 23.21 H new ATOM 0 HB ILE A 17 5.451 10.451 -31.838 1.00 34.52 H new ATOM 0 HG12 ILE A 17 6.732 8.339 -30.928 1.00 13.12 H new ATOM 0 HG13 ILE A 17 6.609 9.797 -29.964 1.00 13.12 H new ATOM 0 HG21 ILE A 17 3.948 10.661 -29.896 1.00 3.25 H new ATOM 0 HG22 ILE A 17 3.041 10.384 -31.402 1.00 3.25 H new ATOM 0 HG23 ILE A 17 3.275 9.051 -30.246 1.00 3.25 H new ATOM 0 HD11 ILE A 17 6.166 7.811 -28.608 1.00 35.42 H new ATOM 0 HD12 ILE A 17 4.711 8.829 -28.717 1.00 35.42 H new ATOM 0 HD13 ILE A 17 4.835 7.349 -29.696 1.00 35.42 H new ATOM 276 N LEU A 18 6.429 9.259 -34.083 1.00 42.13 N ATOM 277 CA LEU A 18 7.644 9.141 -34.882 1.00 24.13 C ATOM 278 C LEU A 18 8.563 10.338 -34.656 1.00 73.32 C ATOM 279 O LEU A 18 8.295 11.451 -35.109 1.00 61.23 O ATOM 280 CB LEU A 18 7.294 9.025 -36.366 1.00 54.32 C ATOM 281 CG LEU A 18 8.477 8.970 -37.333 1.00 71.21 C ATOM 282 CD1 LEU A 18 8.917 10.373 -37.719 1.00 3.42 C ATOM 283 CD2 LEU A 18 9.634 8.196 -36.717 1.00 15.53 C ATOM 0 H LEU A 18 5.937 10.146 -34.192 1.00 42.13 H new ATOM 0 HA LEU A 18 8.169 8.239 -34.568 1.00 24.13 H new ATOM 0 HB2 LEU A 18 6.693 8.127 -36.508 1.00 54.32 H new ATOM 0 HB3 LEU A 18 6.667 9.874 -36.638 1.00 54.32 H new ATOM 0 HG LEU A 18 8.159 8.450 -38.237 1.00 71.21 H new ATOM 0 HD11 LEU A 18 9.760 10.313 -38.408 1.00 3.42 H new ATOM 0 HD12 LEU A 18 8.090 10.894 -38.202 1.00 3.42 H new ATOM 0 HD13 LEU A 18 9.217 10.919 -36.825 1.00 3.42 H new ATOM 0 HD21 LEU A 18 10.467 8.167 -37.419 1.00 15.53 H new ATOM 0 HD22 LEU A 18 9.952 8.687 -35.797 1.00 15.53 H new ATOM 0 HD23 LEU A 18 9.313 7.179 -36.493 1.00 15.53 H new ATOM 295 N PRO A 19 9.673 10.105 -33.941 1.00 3.31 N ATOM 296 CA PRO A 19 10.655 11.152 -33.641 1.00 64.54 C ATOM 297 C PRO A 19 11.428 11.593 -34.880 1.00 14.32 C ATOM 298 O PRO A 19 11.662 10.801 -35.792 1.00 4.13 O ATOM 299 CB PRO A 19 11.595 10.479 -32.637 1.00 52.20 C ATOM 300 CG PRO A 19 11.475 9.022 -32.923 1.00 40.11 C ATOM 301 CD PRO A 19 10.056 8.803 -33.370 1.00 10.12 C ATOM 0 HA PRO A 19 10.182 12.058 -33.262 1.00 64.54 H new ATOM 0 HB2 PRO A 19 12.621 10.824 -32.763 1.00 52.20 H new ATOM 0 HB3 PRO A 19 11.306 10.706 -31.611 1.00 52.20 H new ATOM 0 HG2 PRO A 19 12.179 8.717 -33.697 1.00 40.11 H new ATOM 0 HG3 PRO A 19 11.700 8.430 -32.036 1.00 40.11 H new ATOM 0 HD2 PRO A 19 9.986 8.004 -34.108 1.00 10.12 H new ATOM 0 HD3 PRO A 19 9.411 8.524 -32.537 1.00 10.12 H new ATOM 309 N ALA A 20 11.820 12.863 -34.905 1.00 24.30 N ATOM 310 CA ALA A 20 12.568 13.409 -36.031 1.00 25.34 C ATOM 311 C ALA A 20 12.899 14.881 -35.808 1.00 75.31 C ATOM 312 O ALA A 20 14.032 15.230 -35.478 1.00 42.52 O ATOM 313 CB ALA A 20 11.784 13.231 -37.322 1.00 14.02 C ATOM 0 H ALA A 20 11.632 13.532 -34.159 1.00 24.30 H new ATOM 0 HA ALA A 20 13.507 12.861 -36.112 1.00 25.34 H new ATOM 0 HB1 ALA A 20 12.355 13.643 -38.154 1.00 14.02 H new ATOM 0 HB2 ALA A 20 11.605 12.170 -37.495 1.00 14.02 H new ATOM 0 HB3 ALA A 20 10.830 13.752 -37.243 1.00 14.02 H new ATOM 319 N CYS A 21 11.902 15.740 -35.991 1.00 54.03 N ATOM 320 CA CYS A 21 12.086 17.175 -35.812 1.00 13.00 C ATOM 321 C CYS A 21 10.951 17.769 -34.983 1.00 1.55 C ATOM 322 O CYS A 21 11.174 18.639 -34.141 1.00 13.12 O ATOM 323 CB CYS A 21 12.160 17.875 -37.171 1.00 34.34 C ATOM 324 SG CYS A 21 10.795 17.450 -38.301 1.00 2.34 S ATOM 0 H CYS A 21 10.958 15.467 -36.263 1.00 54.03 H new ATOM 0 HA CYS A 21 13.024 17.332 -35.279 1.00 13.00 H new ATOM 0 HB2 CYS A 21 12.164 18.953 -37.013 1.00 34.34 H new ATOM 0 HB3 CYS A 21 13.106 17.619 -37.649 1.00 34.34 H new ATOM 0 HG CYS A 21 9.670 17.861 -37.796 1.00 2.34 H new ATOM 329 N MET A 22 9.735 17.293 -35.227 1.00 14.31 N ATOM 330 CA MET A 22 8.565 17.776 -34.502 1.00 3.54 C ATOM 331 C MET A 22 7.860 16.631 -33.782 1.00 43.01 C ATOM 332 O MET A 22 8.399 15.529 -33.671 1.00 3.44 O ATOM 333 CB MET A 22 7.593 18.467 -35.460 1.00 44.13 C ATOM 334 CG MET A 22 6.985 19.741 -34.896 1.00 31.52 C ATOM 335 SD MET A 22 7.922 21.215 -35.342 1.00 54.12 S ATOM 336 CE MET A 22 6.620 22.445 -35.377 1.00 2.31 C ATOM 0 H MET A 22 9.534 16.573 -35.921 1.00 14.31 H new ATOM 0 HA MET A 22 8.903 18.497 -33.757 1.00 3.54 H new ATOM 0 HB2 MET A 22 8.116 18.703 -36.387 1.00 44.13 H new ATOM 0 HB3 MET A 22 6.791 17.773 -35.714 1.00 44.13 H new ATOM 0 HG2 MET A 22 5.962 19.842 -35.259 1.00 31.52 H new ATOM 0 HG3 MET A 22 6.932 19.664 -33.810 1.00 31.52 H new ATOM 0 HE1 MET A 22 7.043 23.415 -35.639 1.00 2.31 H new ATOM 0 HE2 MET A 22 5.873 22.163 -36.118 1.00 2.31 H new ATOM 0 HE3 MET A 22 6.151 22.507 -34.395 1.00 2.31 H new ATOM 346 N HIS A 23 6.653 16.898 -33.295 1.00 54.01 N ATOM 347 CA HIS A 23 5.874 15.889 -32.586 1.00 72.33 C ATOM 348 C HIS A 23 4.731 15.375 -33.456 1.00 74.21 C ATOM 349 O HIS A 23 3.764 16.091 -33.713 1.00 13.34 O ATOM 350 CB HIS A 23 5.319 16.464 -31.283 1.00 4.51 C ATOM 351 CG HIS A 23 6.182 16.187 -30.091 1.00 23.24 C ATOM 352 ND1 HIS A 23 6.170 14.984 -29.416 1.00 53.12 N ATOM 353 CD2 HIS A 23 7.089 16.964 -29.454 1.00 11.24 C ATOM 354 CE1 HIS A 23 7.030 15.034 -28.415 1.00 10.31 C ATOM 355 NE2 HIS A 23 7.601 16.225 -28.416 1.00 5.11 N ATOM 0 H HIS A 23 6.193 17.804 -33.378 1.00 54.01 H new ATOM 0 HA HIS A 23 6.535 15.054 -32.353 1.00 72.33 H new ATOM 0 HB2 HIS A 23 5.200 17.542 -31.393 1.00 4.51 H new ATOM 0 HB3 HIS A 23 4.326 16.050 -31.107 1.00 4.51 H new ATOM 0 HD2 HIS A 23 7.360 17.977 -29.714 1.00 11.24 H new ATOM 0 HE1 HIS A 23 7.232 14.237 -27.715 1.00 10.31 H new ATOM 0 HE2 HIS A 23 8.308 16.544 -27.753 1.00 5.11 H new ATOM 363 N GLU A 24 4.850 14.130 -33.907 1.00 33.10 N ATOM 364 CA GLU A 24 3.826 13.522 -34.749 1.00 64.03 C ATOM 365 C GLU A 24 3.300 12.234 -34.122 1.00 53.41 C ATOM 366 O GLU A 24 3.905 11.685 -33.201 1.00 43.21 O ATOM 367 CB GLU A 24 4.388 13.231 -36.143 1.00 31.14 C ATOM 368 CG GLU A 24 5.724 12.507 -36.122 1.00 13.25 C ATOM 369 CD GLU A 24 6.871 13.386 -36.581 1.00 13.21 C ATOM 370 OE1 GLU A 24 7.032 13.557 -37.808 1.00 22.34 O ATOM 371 OE2 GLU A 24 7.607 13.903 -35.715 1.00 13.13 O ATOM 0 H GLU A 24 5.644 13.523 -33.704 1.00 33.10 H new ATOM 0 HA GLU A 24 2.999 14.227 -34.838 1.00 64.03 H new ATOM 0 HB2 GLU A 24 3.667 12.630 -36.698 1.00 31.14 H new ATOM 0 HB3 GLU A 24 4.502 14.171 -36.683 1.00 31.14 H new ATOM 0 HG2 GLU A 24 5.925 12.152 -35.111 1.00 13.25 H new ATOM 0 HG3 GLU A 24 5.666 11.627 -36.763 1.00 13.25 H new ATOM 378 N THR A 25 2.166 11.757 -34.627 1.00 42.43 N ATOM 379 CA THR A 25 1.556 10.536 -34.117 1.00 0.33 C ATOM 380 C THR A 25 0.670 9.882 -35.171 1.00 13.44 C ATOM 381 O THR A 25 0.264 10.524 -36.140 1.00 75.10 O ATOM 382 CB THR A 25 0.716 10.813 -32.856 1.00 31.14 C ATOM 383 OG1 THR A 25 1.366 11.794 -32.039 1.00 73.25 O ATOM 384 CG2 THR A 25 0.507 9.537 -32.054 1.00 73.02 C ATOM 0 H THR A 25 1.652 12.199 -35.389 1.00 42.43 H new ATOM 0 HA THR A 25 2.371 9.859 -33.861 1.00 0.33 H new ATOM 0 HB THR A 25 -0.257 11.190 -33.171 1.00 31.14 H new ATOM 0 HG1 THR A 25 0.825 11.965 -31.240 1.00 73.25 H new ATOM 0 HG21 THR A 25 -0.089 9.757 -31.168 1.00 73.02 H new ATOM 0 HG22 THR A 25 -0.014 8.802 -32.668 1.00 73.02 H new ATOM 0 HG23 THR A 25 1.474 9.136 -31.750 1.00 73.02 H new ATOM 392 N CYS A 26 0.372 8.602 -34.975 1.00 1.21 N ATOM 393 CA CYS A 26 -0.467 7.860 -35.908 1.00 41.43 C ATOM 394 C CYS A 26 -1.127 6.670 -35.218 1.00 55.33 C ATOM 395 O CYS A 26 -0.542 6.051 -34.330 1.00 62.25 O ATOM 396 CB CYS A 26 0.363 7.377 -37.099 1.00 51.24 C ATOM 397 SG CYS A 26 -0.592 7.174 -38.637 1.00 41.34 S ATOM 0 H CYS A 26 0.700 8.057 -34.178 1.00 1.21 H new ATOM 0 HA CYS A 26 -1.249 8.529 -36.266 1.00 41.43 H new ATOM 0 HB2 CYS A 26 1.171 8.087 -37.277 1.00 51.24 H new ATOM 0 HB3 CYS A 26 0.826 6.424 -36.843 1.00 51.24 H new ATOM 402 N SER A 27 -2.351 6.357 -35.634 1.00 24.25 N ATOM 403 CA SER A 27 -3.093 5.244 -35.054 1.00 22.44 C ATOM 404 C SER A 27 -4.267 4.850 -35.945 1.00 41.40 C ATOM 405 O SER A 27 -5.196 5.631 -36.148 1.00 4.30 O ATOM 406 CB SER A 27 -3.599 5.612 -33.658 1.00 2.53 C ATOM 407 OG SER A 27 -4.134 4.481 -32.994 1.00 30.33 O ATOM 0 H SER A 27 -2.849 6.858 -36.370 1.00 24.25 H new ATOM 0 HA SER A 27 -2.417 4.392 -34.975 1.00 22.44 H new ATOM 0 HB2 SER A 27 -2.782 6.030 -33.070 1.00 2.53 H new ATOM 0 HB3 SER A 27 -4.363 6.386 -33.737 1.00 2.53 H new ATOM 0 HG SER A 27 -5.045 4.315 -33.314 1.00 30.33 H new ATOM 413 N GLY A 28 -4.217 3.632 -36.475 1.00 52.15 N ATOM 414 CA GLY A 28 -5.281 3.155 -37.339 1.00 54.12 C ATOM 415 C GLY A 28 -5.728 1.750 -36.987 1.00 62.14 C ATOM 416 O GLY A 28 -4.933 0.811 -37.024 1.00 13.32 O ATOM 0 H GLY A 28 -3.459 2.967 -36.322 1.00 52.15 H new ATOM 0 HA2 GLY A 28 -6.132 3.832 -37.269 1.00 54.12 H new ATOM 0 HA3 GLY A 28 -4.941 3.176 -38.374 1.00 54.12 H new ATOM 420 N GLY A 29 -7.004 1.604 -36.644 1.00 10.42 N ATOM 421 CA GLY A 29 -7.532 0.301 -36.287 1.00 32.41 C ATOM 422 C GLY A 29 -8.711 0.392 -35.338 1.00 43.40 C ATOM 423 O GLY A 29 -9.620 -0.436 -35.384 1.00 30.31 O ATOM 0 H GLY A 29 -7.682 2.366 -36.607 1.00 10.42 H new ATOM 0 HA2 GLY A 29 -7.838 -0.224 -37.192 1.00 32.41 H new ATOM 0 HA3 GLY A 29 -6.743 -0.293 -35.825 1.00 32.41 H new ATOM 427 N PHE A 30 -8.695 1.402 -34.474 1.00 32.22 N ATOM 428 CA PHE A 30 -9.770 1.597 -33.507 1.00 43.34 C ATOM 429 C PHE A 30 -9.775 3.030 -32.982 1.00 24.10 C ATOM 430 O PHE A 30 -10.832 3.636 -32.810 1.00 71.12 O ATOM 431 CB PHE A 30 -9.622 0.616 -32.343 1.00 71.41 C ATOM 432 CG PHE A 30 -10.761 0.670 -31.365 1.00 4.10 C ATOM 433 CD1 PHE A 30 -12.029 0.251 -31.734 1.00 23.05 C ATOM 434 CD2 PHE A 30 -10.563 1.141 -30.077 1.00 43.20 C ATOM 435 CE1 PHE A 30 -13.079 0.300 -30.836 1.00 25.53 C ATOM 436 CE2 PHE A 30 -11.608 1.192 -29.175 1.00 35.32 C ATOM 437 CZ PHE A 30 -12.868 0.772 -29.555 1.00 32.50 C ATOM 0 H PHE A 30 -7.951 2.097 -34.424 1.00 32.22 H new ATOM 0 HA PHE A 30 -10.718 1.410 -34.012 1.00 43.34 H new ATOM 0 HB2 PHE A 30 -9.542 -0.396 -32.739 1.00 71.41 H new ATOM 0 HB3 PHE A 30 -8.691 0.827 -31.817 1.00 71.41 H new ATOM 0 HD1 PHE A 30 -12.199 -0.118 -32.735 1.00 23.05 H new ATOM 0 HD2 PHE A 30 -9.580 1.472 -29.775 1.00 43.20 H new ATOM 0 HE1 PHE A 30 -14.063 -0.030 -31.136 1.00 25.53 H new ATOM 0 HE2 PHE A 30 -11.440 1.560 -28.174 1.00 35.32 H new ATOM 0 HZ PHE A 30 -13.687 0.813 -28.852 1.00 32.50 H new ATOM 447 N SER A 31 -8.585 3.565 -32.728 1.00 65.31 N ATOM 448 CA SER A 31 -8.451 4.924 -32.218 1.00 4.21 C ATOM 449 C SER A 31 -8.608 5.944 -33.342 1.00 11.14 C ATOM 450 O SER A 31 -9.250 6.981 -33.169 1.00 43.33 O ATOM 451 CB SER A 31 -7.093 5.105 -31.537 1.00 24.52 C ATOM 452 OG SER A 31 -7.246 5.339 -30.148 1.00 21.03 O ATOM 0 H SER A 31 -7.700 3.078 -32.867 1.00 65.31 H new ATOM 0 HA SER A 31 -9.242 5.090 -31.486 1.00 4.21 H new ATOM 0 HB2 SER A 31 -6.483 4.216 -31.694 1.00 24.52 H new ATOM 0 HB3 SER A 31 -6.562 5.941 -31.993 1.00 24.52 H new ATOM 0 HG SER A 31 -6.364 5.450 -29.736 1.00 21.03 H new ATOM 458 N LEU A 32 -8.018 5.642 -34.493 1.00 10.11 N ATOM 459 CA LEU A 32 -8.092 6.532 -35.647 1.00 23.52 C ATOM 460 C LEU A 32 -7.679 7.950 -35.268 1.00 52.30 C ATOM 461 O LEU A 32 -8.524 8.800 -34.986 1.00 53.10 O ATOM 462 CB LEU A 32 -9.509 6.537 -36.222 1.00 32.31 C ATOM 463 CG LEU A 32 -9.758 7.498 -37.385 1.00 33.13 C ATOM 464 CD1 LEU A 32 -8.728 7.285 -38.483 1.00 74.13 C ATOM 465 CD2 LEU A 32 -11.168 7.321 -37.931 1.00 24.44 C ATOM 0 H LEU A 32 -7.483 4.788 -34.652 1.00 10.11 H new ATOM 0 HA LEU A 32 -7.401 6.163 -36.405 1.00 23.52 H new ATOM 0 HB2 LEU A 32 -9.748 5.527 -36.554 1.00 32.31 H new ATOM 0 HB3 LEU A 32 -10.204 6.782 -35.419 1.00 32.31 H new ATOM 0 HG LEU A 32 -9.659 8.519 -37.016 1.00 33.13 H new ATOM 0 HD11 LEU A 32 -8.921 7.978 -39.302 1.00 74.13 H new ATOM 0 HD12 LEU A 32 -7.729 7.464 -38.085 1.00 74.13 H new ATOM 0 HD13 LEU A 32 -8.794 6.261 -38.850 1.00 74.13 H new ATOM 0 HD21 LEU A 32 -11.327 8.013 -38.758 1.00 24.44 H new ATOM 0 HD22 LEU A 32 -11.296 6.298 -38.284 1.00 24.44 H new ATOM 0 HD23 LEU A 32 -11.892 7.525 -37.142 1.00 24.44 H new ATOM 477 N LYS A 33 -6.374 8.201 -35.265 1.00 73.35 N ATOM 478 CA LYS A 33 -5.848 9.517 -34.925 1.00 40.22 C ATOM 479 C LYS A 33 -4.395 9.654 -35.369 1.00 71.32 C ATOM 480 O LYS A 33 -3.728 8.661 -35.655 1.00 60.42 O ATOM 481 CB LYS A 33 -5.957 9.759 -33.418 1.00 24.51 C ATOM 482 CG LYS A 33 -5.143 8.782 -32.586 1.00 14.45 C ATOM 483 CD LYS A 33 -4.515 9.465 -31.382 1.00 63.41 C ATOM 484 CE LYS A 33 -5.572 10.012 -30.436 1.00 55.43 C ATOM 485 NZ LYS A 33 -5.013 10.304 -29.087 1.00 41.25 N ATOM 0 H LYS A 33 -5.661 7.509 -35.495 1.00 73.35 H new ATOM 0 HA LYS A 33 -6.442 10.265 -35.451 1.00 40.22 H new ATOM 0 HB2 LYS A 33 -5.628 10.774 -33.197 1.00 24.51 H new ATOM 0 HB3 LYS A 33 -7.004 9.691 -33.122 1.00 24.51 H new ATOM 0 HG2 LYS A 33 -5.784 7.967 -32.250 1.00 14.45 H new ATOM 0 HG3 LYS A 33 -4.361 8.340 -33.204 1.00 14.45 H new ATOM 0 HD2 LYS A 33 -3.881 8.756 -30.850 1.00 63.41 H new ATOM 0 HD3 LYS A 33 -3.871 10.278 -31.718 1.00 63.41 H new ATOM 0 HE2 LYS A 33 -5.999 10.922 -30.857 1.00 55.43 H new ATOM 0 HE3 LYS A 33 -6.385 9.291 -30.344 1.00 55.43 H new ATOM 0 HZ1 LYS A 33 -5.765 10.675 -28.472 1.00 41.25 H new ATOM 0 HZ2 LYS A 33 -4.628 9.431 -28.674 1.00 41.25 H new ATOM 0 HZ3 LYS A 33 -4.255 11.011 -29.171 1.00 41.25 H new ATOM 499 N ASN A 34 -3.911 10.890 -35.423 1.00 53.51 N ATOM 500 CA ASN A 34 -2.537 11.156 -35.831 1.00 44.34 C ATOM 501 C ASN A 34 -2.160 12.610 -35.560 1.00 60.33 C ATOM 502 O ASN A 34 -2.970 13.517 -35.749 1.00 51.23 O ATOM 503 CB ASN A 34 -2.353 10.839 -37.317 1.00 34.22 C ATOM 504 CG ASN A 34 -3.470 11.407 -38.171 1.00 70.35 C ATOM 505 OD1 ASN A 34 -3.710 12.614 -38.176 1.00 54.12 O ATOM 506 ND2 ASN A 34 -4.159 10.536 -38.900 1.00 23.21 N ATOM 0 H ASN A 34 -4.450 11.724 -35.189 1.00 53.51 H new ATOM 0 HA ASN A 34 -1.880 10.513 -35.245 1.00 44.34 H new ATOM 0 HB2 ASN A 34 -1.399 11.242 -37.656 1.00 34.22 H new ATOM 0 HB3 ASN A 34 -2.309 9.758 -37.453 1.00 34.22 H new ATOM 0 HD21 ASN A 34 -4.922 10.859 -39.495 1.00 23.21 H new ATOM 0 HD22 ASN A 34 -3.925 9.544 -38.865 1.00 23.21 H new ATOM 513 N ASP A 35 -0.926 12.822 -35.117 1.00 41.31 N ATOM 514 CA ASP A 35 -0.440 14.165 -34.821 1.00 55.35 C ATOM 515 C ASP A 35 0.398 14.706 -35.975 1.00 45.11 C ATOM 516 O ASP A 35 1.284 14.021 -36.487 1.00 60.25 O ATOM 517 CB ASP A 35 0.384 14.161 -33.533 1.00 61.43 C ATOM 518 CG ASP A 35 0.388 15.511 -32.844 1.00 24.33 C ATOM 519 OD1 ASP A 35 -0.679 16.157 -32.799 1.00 42.24 O ATOM 520 OD2 ASP A 35 1.459 15.921 -32.349 1.00 44.31 O ATOM 0 H ASP A 35 -0.244 12.081 -34.955 1.00 41.31 H new ATOM 0 HA ASP A 35 -1.304 14.816 -34.687 1.00 55.35 H new ATOM 0 HB2 ASP A 35 -0.016 13.410 -32.852 1.00 61.43 H new ATOM 0 HB3 ASP A 35 1.409 13.870 -33.762 1.00 61.43 H new ATOM 525 N CYS A 36 0.113 15.939 -36.380 1.00 43.12 N ATOM 526 CA CYS A 36 0.840 16.572 -37.474 1.00 55.42 C ATOM 527 C CYS A 36 2.346 16.410 -37.293 1.00 70.32 C ATOM 528 O CYS A 36 2.819 16.083 -36.205 1.00 32.14 O ATOM 529 CB CYS A 36 0.482 18.058 -37.559 1.00 24.41 C ATOM 530 SG CYS A 36 -0.593 18.485 -38.966 1.00 22.20 S ATOM 0 H CYS A 36 -0.617 16.520 -35.967 1.00 43.12 H new ATOM 0 HA CYS A 36 0.549 16.081 -38.403 1.00 55.42 H new ATOM 0 HB2 CYS A 36 -0.013 18.355 -36.634 1.00 24.41 H new ATOM 0 HB3 CYS A 36 1.402 18.639 -37.629 1.00 24.41 H new ATOM 0 HG CYS A 36 -0.470 17.584 -39.895 1.00 22.20 H new ATOM 535 N TRP A 37 3.093 16.640 -38.367 1.00 1.04 N ATOM 536 CA TRP A 37 4.546 16.519 -38.326 1.00 41.34 C ATOM 537 C TRP A 37 5.211 17.878 -38.521 1.00 72.41 C ATOM 538 O TRP A 37 4.551 18.916 -38.467 1.00 3.13 O ATOM 539 CB TRP A 37 5.027 15.544 -39.402 1.00 23.54 C ATOM 540 CG TRP A 37 4.666 15.968 -40.793 1.00 64.40 C ATOM 541 CD1 TRP A 37 3.437 15.887 -41.381 1.00 74.24 C ATOM 542 CD2 TRP A 37 5.544 16.537 -41.770 1.00 64.54 C ATOM 543 NE1 TRP A 37 3.497 16.371 -42.666 1.00 2.31 N ATOM 544 CE2 TRP A 37 4.779 16.777 -42.928 1.00 70.23 C ATOM 545 CE3 TRP A 37 6.902 16.868 -41.780 1.00 12.34 C ATOM 546 CZ2 TRP A 37 5.328 17.332 -44.081 1.00 70.22 C ATOM 547 CZ3 TRP A 37 7.445 17.419 -42.925 1.00 22.33 C ATOM 548 CH2 TRP A 37 6.660 17.647 -44.062 1.00 75.23 C ATOM 0 H TRP A 37 2.717 16.911 -39.276 1.00 1.04 H new ATOM 0 HA TRP A 37 4.827 16.135 -37.345 1.00 41.34 H new ATOM 0 HB2 TRP A 37 6.110 15.441 -39.331 1.00 23.54 H new ATOM 0 HB3 TRP A 37 4.600 14.560 -39.208 1.00 23.54 H new ATOM 0 HD1 TRP A 37 2.548 15.499 -40.906 1.00 74.24 H new ATOM 0 HE1 TRP A 37 2.714 16.420 -43.318 1.00 2.31 H new ATOM 0 HE3 TRP A 37 7.516 16.696 -40.908 1.00 12.34 H new ATOM 0 HZ2 TRP A 37 4.724 17.508 -44.959 1.00 70.22 H new ATOM 0 HZ3 TRP A 37 8.493 17.678 -42.943 1.00 22.33 H new ATOM 0 HH2 TRP A 37 7.114 18.080 -44.941 1.00 75.23 H new ATOM 559 N CYS A 38 6.520 17.864 -38.748 1.00 71.13 N ATOM 560 CA CYS A 38 7.274 19.095 -38.951 1.00 64.30 C ATOM 561 C CYS A 38 6.545 20.027 -39.914 1.00 43.30 C ATOM 562 O CYS A 38 6.081 19.605 -40.973 1.00 70.43 O ATOM 563 CB CYS A 38 8.671 18.779 -39.489 1.00 63.32 C ATOM 564 SG CYS A 38 9.625 17.626 -38.450 1.00 61.21 S ATOM 0 H CYS A 38 7.081 17.013 -38.796 1.00 71.13 H new ATOM 0 HA CYS A 38 7.368 19.597 -37.988 1.00 64.30 H new ATOM 0 HB2 CYS A 38 8.576 18.356 -40.489 1.00 63.32 H new ATOM 0 HB3 CYS A 38 9.230 19.710 -39.588 1.00 63.32 H new ATOM 0 HG CYS A 38 10.887 17.716 -38.748 1.00 61.21 H new ATOM 569 N CYS A 39 6.449 21.298 -39.539 1.00 12.33 N ATOM 570 CA CYS A 39 5.777 22.292 -40.367 1.00 73.13 C ATOM 571 C CYS A 39 6.610 22.624 -41.602 1.00 1.33 C ATOM 572 O CYS A 39 7.581 21.933 -41.914 1.00 13.01 O ATOM 573 CB CYS A 39 5.511 23.564 -39.560 1.00 50.22 C ATOM 574 SG CYS A 39 3.772 24.105 -39.577 1.00 14.44 S ATOM 0 H CYS A 39 6.829 21.664 -38.666 1.00 12.33 H new ATOM 0 HA CYS A 39 4.826 21.873 -40.694 1.00 73.13 H new ATOM 0 HB2 CYS A 39 5.818 23.397 -38.528 1.00 50.22 H new ATOM 0 HB3 CYS A 39 6.134 24.368 -39.953 1.00 50.22 H new ATOM 579 N LEU A 40 6.225 23.687 -42.300 1.00 31.30 N ATOM 580 CA LEU A 40 6.936 24.112 -43.501 1.00 1.14 C ATOM 581 C LEU A 40 8.435 24.212 -43.239 1.00 25.13 C ATOM 582 O LEU A 40 9.217 23.398 -43.731 1.00 21.11 O ATOM 583 CB LEU A 40 6.400 25.461 -43.983 1.00 43.15 C ATOM 584 CG LEU A 40 5.661 25.449 -45.322 1.00 1.40 C ATOM 585 CD1 LEU A 40 5.244 26.858 -45.714 1.00 4.51 C ATOM 586 CD2 LEU A 40 6.530 24.827 -46.406 1.00 13.25 C ATOM 0 H LEU A 40 5.425 24.270 -42.055 1.00 31.30 H new ATOM 0 HA LEU A 40 6.770 23.364 -44.276 1.00 1.14 H new ATOM 0 HB2 LEU A 40 5.726 25.855 -43.222 1.00 43.15 H new ATOM 0 HB3 LEU A 40 7.236 26.156 -44.058 1.00 43.15 H new ATOM 0 HG LEU A 40 4.762 24.843 -45.213 1.00 1.40 H new ATOM 0 HD11 LEU A 40 4.720 26.830 -46.669 1.00 4.51 H new ATOM 0 HD12 LEU A 40 4.584 27.268 -44.950 1.00 4.51 H new ATOM 0 HD13 LEU A 40 6.129 27.488 -45.805 1.00 4.51 H new ATOM 0 HD21 LEU A 40 5.988 24.827 -47.352 1.00 13.25 H new ATOM 0 HD22 LEU A 40 7.447 25.406 -46.514 1.00 13.25 H new ATOM 0 HD23 LEU A 40 6.778 23.802 -46.130 1.00 13.25 H new ATOM 598 N ARG A 41 8.829 25.214 -42.459 1.00 64.51 N ATOM 599 CA ARG A 41 10.235 25.419 -42.131 1.00 30.11 C ATOM 600 C ARG A 41 10.386 26.423 -40.992 1.00 21.34 C ATOM 601 O ARG A 41 9.508 27.256 -40.763 1.00 43.14 O ATOM 602 CB ARG A 41 11.002 25.908 -43.361 1.00 12.11 C ATOM 603 CG ARG A 41 10.729 27.362 -43.710 1.00 72.03 C ATOM 604 CD ARG A 41 10.352 27.522 -45.175 1.00 31.41 C ATOM 605 NE ARG A 41 11.280 26.820 -46.058 1.00 54.44 N ATOM 606 CZ ARG A 41 11.010 26.530 -47.326 1.00 53.23 C ATOM 607 NH1 ARG A 41 9.846 26.880 -47.856 1.00 72.45 N ATOM 608 NH2 ARG A 41 11.905 25.890 -48.067 1.00 24.23 N ATOM 0 H ARG A 41 8.195 25.896 -42.043 1.00 64.51 H new ATOM 0 HA ARG A 41 10.650 24.464 -41.809 1.00 30.11 H new ATOM 0 HB2 ARG A 41 12.070 25.779 -43.188 1.00 12.11 H new ATOM 0 HB3 ARG A 41 10.740 25.283 -44.215 1.00 12.11 H new ATOM 0 HG2 ARG A 41 9.924 27.743 -43.082 1.00 72.03 H new ATOM 0 HG3 ARG A 41 11.613 27.962 -43.493 1.00 72.03 H new ATOM 0 HD2 ARG A 41 9.343 27.142 -45.333 1.00 31.41 H new ATOM 0 HD3 ARG A 41 10.338 28.581 -45.432 1.00 31.41 H new ATOM 0 HE ARG A 41 12.184 26.537 -45.681 1.00 54.44 H new ATOM 0 HH11 ARG A 41 9.156 27.373 -47.290 1.00 72.45 H new ATOM 0 HH12 ARG A 41 9.641 26.656 -48.830 1.00 72.45 H new ATOM 0 HH21 ARG A 41 12.802 25.620 -47.663 1.00 24.23 H new ATOM 0 HH22 ARG A 41 11.696 25.668 -49.040 1.00 24.23 H new ATOM 622 N LEU A 42 11.504 26.337 -40.279 1.00 60.11 N ATOM 623 CA LEU A 42 11.771 27.237 -39.163 1.00 13.24 C ATOM 624 C LEU A 42 13.268 27.341 -38.893 1.00 3.24 C ATOM 625 O LEU A 42 14.064 26.579 -39.443 1.00 11.53 O ATOM 626 CB LEU A 42 11.047 26.751 -37.906 1.00 11.03 C ATOM 627 CG LEU A 42 10.945 25.235 -37.734 1.00 13.10 C ATOM 628 CD1 LEU A 42 11.304 24.833 -36.312 1.00 4.50 C ATOM 629 CD2 LEU A 42 9.546 24.751 -38.089 1.00 44.13 C ATOM 0 H LEU A 42 12.240 25.653 -40.454 1.00 60.11 H new ATOM 0 HA LEU A 42 11.399 28.226 -39.430 1.00 13.24 H new ATOM 0 HB2 LEU A 42 11.558 27.162 -37.035 1.00 11.03 H new ATOM 0 HB3 LEU A 42 10.039 27.165 -37.909 1.00 11.03 H new ATOM 0 HG LEU A 42 11.655 24.763 -38.413 1.00 13.10 H new ATOM 0 HD11 LEU A 42 11.226 23.751 -36.209 1.00 4.50 H new ATOM 0 HD12 LEU A 42 12.325 25.145 -36.092 1.00 4.50 H new ATOM 0 HD13 LEU A 42 10.619 25.314 -35.614 1.00 4.50 H new ATOM 0 HD21 LEU A 42 9.492 23.670 -37.961 1.00 44.13 H new ATOM 0 HD22 LEU A 42 8.818 25.231 -37.435 1.00 44.13 H new ATOM 0 HD23 LEU A 42 9.325 25.005 -39.126 1.00 44.13 H new ATOM 641 N LYS A 43 13.646 28.288 -38.040 1.00 62.14 N ATOM 642 CA LYS A 43 15.048 28.491 -37.693 1.00 72.53 C ATOM 643 C LYS A 43 15.307 28.118 -36.237 1.00 62.21 C ATOM 644 O LYS A 43 16.243 27.377 -35.932 1.00 15.35 O ATOM 645 CB LYS A 43 15.450 29.947 -37.937 1.00 74.15 C ATOM 646 CG LYS A 43 14.467 30.953 -37.365 1.00 13.23 C ATOM 647 CD LYS A 43 14.816 32.373 -37.780 1.00 23.53 C ATOM 648 CE LYS A 43 13.588 33.132 -38.258 1.00 23.11 C ATOM 649 NZ LYS A 43 13.195 32.737 -39.639 1.00 11.12 N ATOM 0 H LYS A 43 13.000 28.927 -37.576 1.00 62.14 H new ATOM 0 HA LYS A 43 15.651 27.843 -38.329 1.00 72.53 H new ATOM 0 HB2 LYS A 43 16.433 30.122 -37.499 1.00 74.15 H new ATOM 0 HB3 LYS A 43 15.545 30.114 -39.010 1.00 74.15 H new ATOM 0 HG2 LYS A 43 13.460 30.711 -37.704 1.00 13.23 H new ATOM 0 HG3 LYS A 43 14.463 30.881 -36.277 1.00 13.23 H new ATOM 0 HD2 LYS A 43 15.265 32.899 -36.938 1.00 23.53 H new ATOM 0 HD3 LYS A 43 15.562 32.348 -38.575 1.00 23.53 H new ATOM 0 HE2 LYS A 43 12.758 32.946 -37.577 1.00 23.11 H new ATOM 0 HE3 LYS A 43 13.789 34.203 -38.230 1.00 23.11 H new ATOM 0 HZ1 LYS A 43 12.354 33.276 -39.928 1.00 11.12 H new ATOM 0 HZ2 LYS A 43 13.978 32.938 -40.294 1.00 11.12 H new ATOM 0 HZ3 LYS A 43 12.978 31.720 -39.661 1.00 11.12 H new ATOM 663 N THR A 44 14.472 28.635 -35.341 1.00 21.51 N ATOM 664 CA THR A 44 14.611 28.356 -33.917 1.00 71.21 C ATOM 665 C THR A 44 13.502 27.432 -33.427 1.00 13.10 C ATOM 666 O THR A 44 13.711 26.614 -32.531 1.00 61.11 O ATOM 667 CB THR A 44 14.588 29.652 -33.086 1.00 2.50 C ATOM 668 OG1 THR A 44 15.037 29.388 -31.752 1.00 65.54 O ATOM 669 CG2 THR A 44 13.188 30.245 -33.046 1.00 51.54 C ATOM 0 H THR A 44 13.692 29.249 -35.576 1.00 21.51 H new ATOM 0 HA THR A 44 15.575 27.865 -33.784 1.00 71.21 H new ATOM 0 HB THR A 44 15.257 30.371 -33.559 1.00 2.50 H new ATOM 0 HG1 THR A 44 15.021 30.218 -31.231 1.00 65.54 H new ATOM 0 HG21 THR A 44 13.197 31.160 -32.453 1.00 51.54 H new ATOM 0 HG22 THR A 44 12.860 30.473 -34.060 1.00 51.54 H new ATOM 0 HG23 THR A 44 12.502 29.528 -32.596 1.00 51.54 H new ATOM 677 N LYS A 45 12.320 27.567 -34.020 1.00 44.12 N ATOM 678 CA LYS A 45 11.177 26.743 -33.646 1.00 1.31 C ATOM 679 C LYS A 45 9.929 27.162 -34.417 1.00 22.12 C ATOM 680 O LYS A 45 9.066 26.336 -34.712 1.00 14.24 O ATOM 681 CB LYS A 45 10.919 26.847 -32.141 1.00 75.11 C ATOM 682 CG LYS A 45 9.544 26.352 -31.725 1.00 1.34 C ATOM 683 CD LYS A 45 9.358 26.426 -30.218 1.00 71.34 C ATOM 684 CE LYS A 45 8.605 25.214 -29.690 1.00 41.22 C ATOM 685 NZ LYS A 45 7.177 25.222 -30.112 1.00 32.43 N ATOM 0 H LYS A 45 12.129 28.240 -34.762 1.00 44.12 H new ATOM 0 HA LYS A 45 11.408 25.708 -33.898 1.00 1.31 H new ATOM 0 HB2 LYS A 45 11.679 26.273 -31.610 1.00 75.11 H new ATOM 0 HB3 LYS A 45 11.031 27.886 -31.832 1.00 75.11 H new ATOM 0 HG2 LYS A 45 8.777 26.950 -32.217 1.00 1.34 H new ATOM 0 HG3 LYS A 45 9.410 25.323 -32.059 1.00 1.34 H new ATOM 0 HD2 LYS A 45 10.332 26.491 -29.733 1.00 71.34 H new ATOM 0 HD3 LYS A 45 8.813 27.335 -29.962 1.00 71.34 H new ATOM 0 HE2 LYS A 45 9.085 24.303 -30.049 1.00 41.22 H new ATOM 0 HE3 LYS A 45 8.662 25.197 -28.602 1.00 41.22 H new ATOM 0 HZ1 LYS A 45 6.698 24.380 -29.733 1.00 32.43 H new ATOM 0 HZ2 LYS A 45 6.712 26.078 -29.748 1.00 32.43 H new ATOM 0 HZ3 LYS A 45 7.122 25.213 -31.150 1.00 32.43 H new ATOM 699 N GLN A 46 9.843 28.448 -34.741 1.00 20.10 N ATOM 700 CA GLN A 46 8.701 28.974 -35.479 1.00 13.45 C ATOM 701 C GLN A 46 9.151 29.971 -36.542 1.00 24.25 C ATOM 702 O GLN A 46 10.126 30.698 -36.351 1.00 70.33 O ATOM 703 CB GLN A 46 7.713 29.644 -34.521 1.00 62.21 C ATOM 704 CG GLN A 46 8.317 30.792 -33.729 1.00 23.35 C ATOM 705 CD GLN A 46 7.759 32.141 -34.137 1.00 63.44 C ATOM 706 OE1 GLN A 46 8.504 33.043 -34.520 1.00 41.25 O ATOM 707 NE2 GLN A 46 6.442 32.285 -34.058 1.00 54.12 N ATOM 0 H GLN A 46 10.550 29.144 -34.504 1.00 20.10 H new ATOM 0 HA GLN A 46 8.207 28.139 -35.976 1.00 13.45 H new ATOM 0 HB2 GLN A 46 6.862 30.015 -35.091 1.00 62.21 H new ATOM 0 HB3 GLN A 46 7.330 28.897 -33.826 1.00 62.21 H new ATOM 0 HG2 GLN A 46 8.131 30.633 -32.667 1.00 23.35 H new ATOM 0 HG3 GLN A 46 9.398 30.794 -33.867 1.00 23.35 H new ATOM 0 HE21 GLN A 46 5.863 31.510 -33.735 1.00 54.12 H new ATOM 0 HE22 GLN A 46 6.009 33.171 -34.320 1.00 54.12 H new ATOM 716 N ALA A 47 8.436 29.998 -37.661 1.00 14.40 N ATOM 717 CA ALA A 47 8.761 30.907 -38.754 1.00 21.34 C ATOM 718 C ALA A 47 7.784 30.743 -39.913 1.00 11.42 C ATOM 719 O ALA A 47 6.932 31.602 -40.144 1.00 61.55 O ATOM 720 CB ALA A 47 10.188 30.673 -39.227 1.00 2.12 C ATOM 0 H ALA A 47 7.628 29.401 -37.835 1.00 14.40 H new ATOM 0 HA ALA A 47 8.675 31.928 -38.383 1.00 21.34 H new ATOM 0 HB1 ALA A 47 10.418 31.358 -40.043 1.00 2.12 H new ATOM 0 HB2 ALA A 47 10.878 30.848 -38.402 1.00 2.12 H new ATOM 0 HB3 ALA A 47 10.292 29.646 -39.576 1.00 2.12 H new ATOM 726 N ARG A 48 7.913 29.637 -40.638 1.00 43.54 N ATOM 727 CA ARG A 48 7.042 29.363 -41.775 1.00 45.30 C ATOM 728 C ARG A 48 6.291 28.049 -41.580 1.00 3.51 C ATOM 729 O ARG A 48 6.901 26.991 -41.425 1.00 75.40 O ATOM 730 CB ARG A 48 7.858 29.310 -43.068 1.00 60.42 C ATOM 731 CG ARG A 48 7.479 30.386 -44.072 1.00 62.02 C ATOM 732 CD ARG A 48 8.169 30.168 -45.410 1.00 22.13 C ATOM 733 NE ARG A 48 9.457 30.853 -45.480 1.00 12.35 N ATOM 734 CZ ARG A 48 10.078 31.136 -46.619 1.00 61.02 C ATOM 735 NH1 ARG A 48 9.532 30.794 -47.778 1.00 42.21 N ATOM 736 NH2 ARG A 48 11.248 31.762 -46.601 1.00 12.30 N ATOM 0 H ARG A 48 8.612 28.916 -40.459 1.00 43.54 H new ATOM 0 HA ARG A 48 6.313 30.171 -41.846 1.00 45.30 H new ATOM 0 HB2 ARG A 48 8.916 29.409 -42.824 1.00 60.42 H new ATOM 0 HB3 ARG A 48 7.727 28.332 -43.530 1.00 60.42 H new ATOM 0 HG2 ARG A 48 6.398 30.388 -44.215 1.00 62.02 H new ATOM 0 HG3 ARG A 48 7.750 31.365 -43.677 1.00 62.02 H new ATOM 0 HD2 ARG A 48 8.317 29.100 -45.572 1.00 22.13 H new ATOM 0 HD3 ARG A 48 7.524 30.526 -46.213 1.00 22.13 H new ATOM 0 HE ARG A 48 9.904 31.129 -44.606 1.00 12.35 H new ATOM 0 HH11 ARG A 48 8.633 30.312 -47.796 1.00 42.21 H new ATOM 0 HH12 ARG A 48 10.011 31.013 -48.652 1.00 42.21 H new ATOM 0 HH21 ARG A 48 11.671 32.026 -45.711 1.00 12.30 H new ATOM 0 HH22 ARG A 48 11.724 31.979 -47.477 1.00 12.30 H new ATOM 750 N CYS A 49 4.965 28.126 -41.588 1.00 33.40 N ATOM 751 CA CYS A 49 4.129 26.944 -41.411 1.00 43.01 C ATOM 752 C CYS A 49 3.273 26.693 -42.649 1.00 63.31 C ATOM 753 O CYS A 49 3.330 27.449 -43.619 1.00 34.21 O ATOM 754 CB CYS A 49 3.233 27.107 -40.182 1.00 72.11 C ATOM 755 SG CYS A 49 3.437 25.796 -38.934 1.00 74.40 S ATOM 0 H CYS A 49 4.446 28.995 -41.715 1.00 33.40 H new ATOM 0 HA CYS A 49 4.784 26.085 -41.263 1.00 43.01 H new ATOM 0 HB2 CYS A 49 3.442 28.071 -39.718 1.00 72.11 H new ATOM 0 HB3 CYS A 49 2.192 27.128 -40.505 1.00 72.11 H new ATOM 760 N TRP A 50 2.482 25.627 -42.608 1.00 21.13 N ATOM 761 CA TRP A 50 1.614 25.276 -43.726 1.00 31.11 C ATOM 762 C TRP A 50 0.154 25.567 -43.394 1.00 65.11 C ATOM 763 O TRP A 50 -0.390 25.037 -42.425 1.00 51.50 O ATOM 764 CB TRP A 50 1.783 23.799 -44.086 1.00 23.03 C ATOM 765 CG TRP A 50 1.807 23.546 -45.563 1.00 2.42 C ATOM 766 CD1 TRP A 50 0.823 23.846 -46.461 1.00 63.45 C ATOM 767 CD2 TRP A 50 2.867 22.941 -46.312 1.00 12.14 C ATOM 768 NE1 TRP A 50 1.207 23.463 -47.724 1.00 25.30 N ATOM 769 CE2 TRP A 50 2.457 22.906 -47.659 1.00 44.11 C ATOM 770 CE3 TRP A 50 4.122 22.427 -45.976 1.00 1.43 C ATOM 771 CZ2 TRP A 50 3.259 22.376 -48.667 1.00 1.43 C ATOM 772 CZ3 TRP A 50 4.916 21.902 -46.977 1.00 25.21 C ATOM 773 CH2 TRP A 50 4.483 21.880 -48.309 1.00 42.23 C ATOM 0 H TRP A 50 2.424 24.991 -41.813 1.00 21.13 H new ATOM 0 HA TRP A 50 1.901 25.886 -44.582 1.00 31.11 H new ATOM 0 HB2 TRP A 50 2.709 23.429 -43.646 1.00 23.03 H new ATOM 0 HB3 TRP A 50 0.968 23.228 -43.640 1.00 23.03 H new ATOM 0 HD1 TRP A 50 -0.118 24.315 -46.215 1.00 63.45 H new ATOM 0 HE1 TRP A 50 0.651 23.575 -48.572 1.00 25.30 H new ATOM 0 HE3 TRP A 50 4.465 22.440 -44.952 1.00 1.43 H new ATOM 0 HZ2 TRP A 50 2.927 22.357 -49.694 1.00 1.43 H new ATOM 0 HZ3 TRP A 50 5.888 21.501 -46.728 1.00 25.21 H new ATOM 0 HH2 TRP A 50 5.128 21.463 -49.068 1.00 42.23 H new ATOM 784 N LYS A 51 -0.475 26.412 -44.204 1.00 21.40 N ATOM 785 CA LYS A 51 -1.872 26.772 -43.998 1.00 15.33 C ATOM 786 C LYS A 51 -2.800 25.743 -44.636 1.00 1.20 C ATOM 787 O LYS A 51 -3.079 25.805 -45.833 1.00 34.23 O ATOM 788 CB LYS A 51 -2.154 28.159 -44.581 1.00 0.14 C ATOM 789 CG LYS A 51 -2.447 29.214 -43.527 1.00 65.43 C ATOM 790 CD LYS A 51 -1.179 29.922 -43.080 1.00 42.24 C ATOM 791 CE LYS A 51 -0.576 29.263 -41.849 1.00 54.11 C ATOM 792 NZ LYS A 51 0.747 29.849 -41.498 1.00 31.32 N ATOM 0 H LYS A 51 -0.039 26.860 -45.010 1.00 21.40 H new ATOM 0 HA LYS A 51 -2.062 26.790 -42.925 1.00 15.33 H new ATOM 0 HB2 LYS A 51 -1.295 28.477 -45.172 1.00 0.14 H new ATOM 0 HB3 LYS A 51 -3.003 28.092 -45.262 1.00 0.14 H new ATOM 0 HG2 LYS A 51 -3.151 29.944 -43.927 1.00 65.43 H new ATOM 0 HG3 LYS A 51 -2.927 28.747 -42.667 1.00 65.43 H new ATOM 0 HD2 LYS A 51 -0.451 29.914 -43.891 1.00 42.24 H new ATOM 0 HD3 LYS A 51 -1.402 30.967 -42.862 1.00 42.24 H new ATOM 0 HE2 LYS A 51 -1.258 29.375 -41.006 1.00 54.11 H new ATOM 0 HE3 LYS A 51 -0.464 28.194 -42.028 1.00 54.11 H new ATOM 0 HZ1 LYS A 51 1.125 29.373 -40.654 1.00 31.32 H new ATOM 0 HZ2 LYS A 51 1.406 29.720 -42.292 1.00 31.32 H new ATOM 0 HZ3 LYS A 51 0.636 30.864 -41.302 1.00 31.32 H new ATOM 806 N GLU A 52 -3.274 24.800 -43.829 1.00 35.43 N ATOM 807 CA GLU A 52 -4.171 23.758 -44.316 1.00 51.22 C ATOM 808 C GLU A 52 -5.481 24.359 -44.817 1.00 53.13 C ATOM 809 O GLU A 52 -6.252 23.701 -45.517 1.00 12.43 O ATOM 810 CB GLU A 52 -4.455 22.739 -43.210 1.00 44.43 C ATOM 811 CG GLU A 52 -3.207 22.268 -42.483 1.00 22.22 C ATOM 812 CD GLU A 52 -3.203 22.658 -41.017 1.00 74.15 C ATOM 813 OE1 GLU A 52 -3.966 22.049 -40.239 1.00 33.11 O ATOM 814 OE2 GLU A 52 -2.437 23.573 -40.650 1.00 22.24 O ATOM 0 H GLU A 52 -3.052 24.736 -42.835 1.00 35.43 H new ATOM 0 HA GLU A 52 -3.681 23.253 -45.148 1.00 51.22 H new ATOM 0 HB2 GLU A 52 -5.141 23.181 -42.488 1.00 44.43 H new ATOM 0 HB3 GLU A 52 -4.961 21.876 -43.643 1.00 44.43 H new ATOM 0 HG2 GLU A 52 -3.130 21.184 -42.567 1.00 22.22 H new ATOM 0 HG3 GLU A 52 -2.327 22.689 -42.969 1.00 22.22 H new ATOM 821 N LYS A 53 -5.727 25.613 -44.454 1.00 52.31 N ATOM 822 CA LYS A 53 -6.943 26.305 -44.866 1.00 3.31 C ATOM 823 C LYS A 53 -6.869 26.707 -46.335 1.00 44.44 C ATOM 824 O LYS A 53 -7.883 26.741 -47.030 1.00 74.35 O ATOM 825 CB LYS A 53 -7.167 27.545 -43.998 1.00 12.34 C ATOM 826 CG LYS A 53 -6.113 28.622 -44.190 1.00 72.24 C ATOM 827 CD LYS A 53 -6.391 29.837 -43.321 1.00 75.32 C ATOM 828 CE LYS A 53 -5.793 31.100 -43.921 1.00 21.12 C ATOM 829 NZ LYS A 53 -6.798 32.194 -44.027 1.00 22.32 N ATOM 0 H LYS A 53 -5.100 26.172 -43.875 1.00 52.31 H new ATOM 0 HA LYS A 53 -7.782 25.621 -44.736 1.00 3.31 H new ATOM 0 HB2 LYS A 53 -8.148 27.964 -44.224 1.00 12.34 H new ATOM 0 HB3 LYS A 53 -7.182 27.246 -42.950 1.00 12.34 H new ATOM 0 HG2 LYS A 53 -5.130 28.218 -43.948 1.00 72.24 H new ATOM 0 HG3 LYS A 53 -6.085 28.922 -45.238 1.00 72.24 H new ATOM 0 HD2 LYS A 53 -7.467 29.963 -43.204 1.00 75.32 H new ATOM 0 HD3 LYS A 53 -5.978 29.675 -42.325 1.00 75.32 H new ATOM 0 HE2 LYS A 53 -4.957 31.433 -43.306 1.00 21.12 H new ATOM 0 HE3 LYS A 53 -5.393 30.878 -44.910 1.00 21.12 H new ATOM 0 HZ1 LYS A 53 -6.351 33.037 -44.441 1.00 22.32 H new ATOM 0 HZ2 LYS A 53 -7.584 31.886 -44.634 1.00 22.32 H new ATOM 0 HZ3 LYS A 53 -7.162 32.424 -43.080 1.00 22.32 H new ATOM 843 N GLU A 54 -5.661 27.010 -46.801 1.00 41.33 N ATOM 844 CA GLU A 54 -5.456 27.409 -48.189 1.00 11.21 C ATOM 845 C GLU A 54 -4.865 26.262 -49.003 1.00 42.02 C ATOM 846 O GLU A 54 -5.262 26.027 -50.145 1.00 2.13 O ATOM 847 CB GLU A 54 -4.535 28.629 -48.262 1.00 23.45 C ATOM 848 CG GLU A 54 -5.255 29.949 -48.046 1.00 4.21 C ATOM 849 CD GLU A 54 -4.302 31.092 -47.752 1.00 60.14 C ATOM 850 OE1 GLU A 54 -3.494 30.962 -46.809 1.00 10.32 O ATOM 851 OE2 GLU A 54 -4.364 32.115 -48.465 1.00 53.04 O ATOM 0 H GLU A 54 -4.810 26.987 -46.238 1.00 41.33 H new ATOM 0 HA GLU A 54 -6.426 27.670 -48.612 1.00 11.21 H new ATOM 0 HB2 GLU A 54 -3.750 28.526 -47.513 1.00 23.45 H new ATOM 0 HB3 GLU A 54 -4.046 28.647 -49.236 1.00 23.45 H new ATOM 0 HG2 GLU A 54 -5.841 30.188 -48.933 1.00 4.21 H new ATOM 0 HG3 GLU A 54 -5.957 29.844 -47.219 1.00 4.21 H new ATOM 858 N PHE A 55 -3.913 25.551 -48.408 1.00 21.00 N ATOM 859 CA PHE A 55 -3.265 24.429 -49.078 1.00 1.25 C ATOM 860 C PHE A 55 -3.691 23.104 -48.453 1.00 62.42 C ATOM 861 O PHE A 55 -3.354 22.790 -47.311 1.00 75.22 O ATOM 862 CB PHE A 55 -1.743 24.574 -49.005 1.00 55.53 C ATOM 863 CG PHE A 55 -1.260 25.967 -49.293 1.00 41.11 C ATOM 864 CD1 PHE A 55 -1.281 26.469 -50.584 1.00 53.04 C ATOM 865 CD2 PHE A 55 -0.785 26.774 -48.272 1.00 44.43 C ATOM 866 CE1 PHE A 55 -0.836 27.750 -50.852 1.00 31.21 C ATOM 867 CE2 PHE A 55 -0.339 28.056 -48.534 1.00 5.33 C ATOM 868 CZ PHE A 55 -0.365 28.545 -49.825 1.00 74.12 C ATOM 0 H PHE A 55 -3.573 25.732 -47.463 1.00 21.00 H new ATOM 0 HA PHE A 55 -3.574 24.434 -50.123 1.00 1.25 H new ATOM 0 HB2 PHE A 55 -1.405 24.279 -48.012 1.00 55.53 H new ATOM 0 HB3 PHE A 55 -1.286 23.885 -49.715 1.00 55.53 H new ATOM 0 HD1 PHE A 55 -1.649 25.852 -51.390 1.00 53.04 H new ATOM 0 HD2 PHE A 55 -0.763 26.397 -47.260 1.00 44.43 H new ATOM 0 HE1 PHE A 55 -0.857 28.129 -51.863 1.00 31.21 H new ATOM 0 HE2 PHE A 55 0.030 28.675 -47.729 1.00 5.33 H new ATOM 0 HZ PHE A 55 -0.018 29.547 -50.031 1.00 74.12 H new ATOM 878 N PRO A 56 -4.450 22.306 -49.219 1.00 43.15 N ATOM 879 CA PRO A 56 -4.938 21.002 -48.763 1.00 75.52 C ATOM 880 C PRO A 56 -3.818 19.975 -48.634 1.00 41.42 C ATOM 881 O PRO A 56 -3.967 18.962 -47.953 1.00 73.12 O ATOM 882 CB PRO A 56 -5.920 20.586 -49.862 1.00 42.32 C ATOM 883 CG PRO A 56 -5.456 21.312 -51.078 1.00 33.11 C ATOM 884 CD PRO A 56 -4.889 22.616 -50.590 1.00 44.24 C ATOM 0 HA PRO A 56 -5.386 21.060 -47.771 1.00 75.52 H new ATOM 0 HB2 PRO A 56 -5.908 19.507 -50.016 1.00 42.32 H new ATOM 0 HB3 PRO A 56 -6.943 20.860 -49.603 1.00 42.32 H new ATOM 0 HG2 PRO A 56 -4.702 20.735 -51.613 1.00 33.11 H new ATOM 0 HG3 PRO A 56 -6.281 21.480 -51.771 1.00 33.11 H new ATOM 0 HD2 PRO A 56 -4.059 22.951 -51.212 1.00 44.24 H new ATOM 0 HD3 PRO A 56 -5.637 23.409 -50.603 1.00 44.24 H new ATOM 892 N ASN A 57 -2.695 20.246 -49.293 1.00 34.25 N ATOM 893 CA ASN A 57 -1.549 19.345 -49.251 1.00 51.20 C ATOM 894 C ASN A 57 -1.124 19.072 -47.812 1.00 3.14 C ATOM 895 O ASN A 57 -0.861 17.930 -47.438 1.00 25.45 O ATOM 896 CB ASN A 57 -0.378 19.940 -50.037 1.00 34.44 C ATOM 897 CG ASN A 57 0.411 18.883 -50.786 1.00 11.34 C ATOM 898 OD1 ASN A 57 0.753 19.061 -51.955 1.00 31.32 O ATOM 899 ND2 ASN A 57 0.704 17.776 -50.113 1.00 51.21 N ATOM 0 H ASN A 57 -2.555 21.081 -49.862 1.00 34.25 H new ATOM 0 HA ASN A 57 -1.843 18.401 -49.709 1.00 51.20 H new ATOM 0 HB2 ASN A 57 -0.756 20.677 -50.745 1.00 34.44 H new ATOM 0 HB3 ASN A 57 0.286 20.468 -49.352 1.00 34.44 H new ATOM 0 HD21 ASN A 57 1.233 17.030 -50.564 1.00 51.21 H new ATOM 0 HD22 ASN A 57 0.400 17.672 -49.145 1.00 51.21 H new ATOM 906 N ALA A 58 -1.059 20.129 -47.009 1.00 13.23 N ATOM 907 CA ALA A 58 -0.669 20.003 -45.610 1.00 42.50 C ATOM 908 C ALA A 58 -1.622 19.084 -44.854 1.00 70.24 C ATOM 909 O ALA A 58 -1.199 18.285 -44.019 1.00 22.22 O ATOM 910 CB ALA A 58 -0.621 21.374 -44.950 1.00 65.33 C ATOM 0 H ALA A 58 -1.271 21.082 -47.303 1.00 13.23 H new ATOM 0 HA ALA A 58 0.326 19.559 -45.575 1.00 42.50 H new ATOM 0 HB1 ALA A 58 -0.328 21.265 -43.906 1.00 65.33 H new ATOM 0 HB2 ALA A 58 0.105 22.001 -45.467 1.00 65.33 H new ATOM 0 HB3 ALA A 58 -1.605 21.839 -45.004 1.00 65.33 H new ATOM 916 N LYS A 59 -2.911 19.202 -45.153 1.00 34.04 N ATOM 917 CA LYS A 59 -3.926 18.381 -44.502 1.00 40.13 C ATOM 918 C LYS A 59 -3.713 16.904 -44.816 1.00 32.54 C ATOM 919 O LYS A 59 -3.651 16.071 -43.911 1.00 43.43 O ATOM 920 CB LYS A 59 -5.324 18.812 -44.950 1.00 53.24 C ATOM 921 CG LYS A 59 -6.354 17.697 -44.888 1.00 64.14 C ATOM 922 CD LYS A 59 -6.496 17.148 -43.479 1.00 34.41 C ATOM 923 CE LYS A 59 -6.441 15.628 -43.465 1.00 22.32 C ATOM 924 NZ LYS A 59 -7.798 15.022 -43.561 1.00 42.11 N ATOM 0 H LYS A 59 -3.278 19.858 -45.842 1.00 34.04 H new ATOM 0 HA LYS A 59 -3.837 18.522 -43.425 1.00 40.13 H new ATOM 0 HB2 LYS A 59 -5.658 19.639 -44.324 1.00 53.24 H new ATOM 0 HB3 LYS A 59 -5.269 19.188 -45.972 1.00 53.24 H new ATOM 0 HG2 LYS A 59 -7.318 18.071 -45.233 1.00 64.14 H new ATOM 0 HG3 LYS A 59 -6.063 16.894 -45.565 1.00 64.14 H new ATOM 0 HD2 LYS A 59 -5.701 17.548 -42.850 1.00 34.41 H new ATOM 0 HD3 LYS A 59 -7.441 17.483 -43.050 1.00 34.41 H new ATOM 0 HE2 LYS A 59 -5.828 15.279 -44.296 1.00 22.32 H new ATOM 0 HE3 LYS A 59 -5.957 15.291 -42.549 1.00 22.32 H new ATOM 0 HZ1 LYS A 59 -7.793 14.086 -43.108 1.00 42.11 H new ATOM 0 HZ2 LYS A 59 -8.487 15.635 -43.081 1.00 42.11 H new ATOM 0 HZ3 LYS A 59 -8.063 14.921 -44.562 1.00 42.11 H new ATOM 938 N GLU A 60 -3.601 16.586 -46.102 1.00 33.14 N ATOM 939 CA GLU A 60 -3.395 15.208 -46.532 1.00 42.23 C ATOM 940 C GLU A 60 -2.138 14.622 -45.896 1.00 31.35 C ATOM 941 O GLU A 60 -2.135 13.477 -45.441 1.00 60.10 O ATOM 942 CB GLU A 60 -3.288 15.138 -48.057 1.00 64.21 C ATOM 943 CG GLU A 60 -4.600 14.800 -48.744 1.00 62.35 C ATOM 944 CD GLU A 60 -4.982 13.341 -48.586 1.00 74.02 C ATOM 945 OE1 GLU A 60 -4.378 12.659 -47.732 1.00 43.03 O ATOM 946 OE2 GLU A 60 -5.886 12.881 -49.316 1.00 4.44 O ATOM 0 H GLU A 60 -3.649 17.263 -46.863 1.00 33.14 H new ATOM 0 HA GLU A 60 -4.254 14.620 -46.207 1.00 42.23 H new ATOM 0 HB2 GLU A 60 -2.928 16.096 -48.432 1.00 64.21 H new ATOM 0 HB3 GLU A 60 -2.543 14.389 -48.327 1.00 64.21 H new ATOM 0 HG2 GLU A 60 -5.393 15.426 -48.334 1.00 62.35 H new ATOM 0 HG3 GLU A 60 -4.522 15.039 -49.805 1.00 62.35 H new ATOM 953 N LEU A 61 -1.072 15.414 -45.867 1.00 30.32 N ATOM 954 CA LEU A 61 0.192 14.974 -45.286 1.00 42.24 C ATOM 955 C LEU A 61 0.057 14.764 -43.782 1.00 33.13 C ATOM 956 O LEU A 61 0.667 13.858 -43.213 1.00 73.22 O ATOM 957 CB LEU A 61 1.291 15.999 -45.573 1.00 1.03 C ATOM 958 CG LEU A 61 1.554 16.307 -47.047 1.00 61.22 C ATOM 959 CD1 LEU A 61 2.067 17.729 -47.212 1.00 52.14 C ATOM 960 CD2 LEU A 61 2.544 15.310 -47.632 1.00 20.11 C ATOM 0 H LEU A 61 -1.057 16.364 -46.239 1.00 30.32 H new ATOM 0 HA LEU A 61 0.462 14.022 -45.743 1.00 42.24 H new ATOM 0 HB2 LEU A 61 1.032 16.930 -45.069 1.00 1.03 H new ATOM 0 HB3 LEU A 61 2.219 15.642 -45.126 1.00 1.03 H new ATOM 0 HG LEU A 61 0.613 16.216 -47.590 1.00 61.22 H new ATOM 0 HD11 LEU A 61 2.249 17.930 -48.268 1.00 52.14 H new ATOM 0 HD12 LEU A 61 1.324 18.430 -46.832 1.00 52.14 H new ATOM 0 HD13 LEU A 61 2.996 17.847 -46.655 1.00 52.14 H new ATOM 0 HD21 LEU A 61 2.719 15.545 -48.682 1.00 20.11 H new ATOM 0 HD22 LEU A 61 3.485 15.368 -47.085 1.00 20.11 H new ATOM 0 HD23 LEU A 61 2.138 14.302 -47.548 1.00 20.11 H new ATOM 972 N CYS A 62 -0.748 15.606 -43.142 1.00 74.41 N ATOM 973 CA CYS A 62 -0.966 15.512 -41.704 1.00 34.14 C ATOM 974 C CYS A 62 -1.664 14.203 -41.343 1.00 44.23 C ATOM 975 O CYS A 62 -1.253 13.503 -40.417 1.00 53.13 O ATOM 976 CB CYS A 62 -1.800 16.698 -41.215 1.00 0.03 C ATOM 977 SG CYS A 62 -0.873 17.888 -40.193 1.00 62.41 S ATOM 0 H CYS A 62 -1.260 16.361 -43.597 1.00 74.41 H new ATOM 0 HA CYS A 62 0.007 15.532 -41.213 1.00 34.14 H new ATOM 0 HB2 CYS A 62 -2.211 17.220 -42.079 1.00 0.03 H new ATOM 0 HB3 CYS A 62 -2.645 16.321 -40.639 1.00 0.03 H new ATOM 0 HG CYS A 62 -1.388 17.929 -39.000 1.00 62.41 H new ATOM 982 N PHE A 63 -2.720 13.879 -42.082 1.00 1.24 N ATOM 983 CA PHE A 63 -3.475 12.655 -41.840 1.00 51.31 C ATOM 984 C PHE A 63 -2.701 11.434 -42.327 1.00 20.43 C ATOM 985 O PHE A 63 -2.868 10.332 -41.805 1.00 71.42 O ATOM 986 CB PHE A 63 -4.834 12.723 -42.539 1.00 55.31 C ATOM 987 CG PHE A 63 -5.994 12.814 -41.588 1.00 64.32 C ATOM 988 CD1 PHE A 63 -5.958 13.687 -40.513 1.00 73.20 C ATOM 989 CD2 PHE A 63 -7.118 12.025 -41.769 1.00 74.03 C ATOM 990 CE1 PHE A 63 -7.023 13.773 -39.636 1.00 75.23 C ATOM 991 CE2 PHE A 63 -8.187 12.107 -40.896 1.00 64.12 C ATOM 992 CZ PHE A 63 -8.139 12.981 -39.828 1.00 24.23 C ATOM 0 H PHE A 63 -3.072 14.447 -42.853 1.00 1.24 H new ATOM 0 HA PHE A 63 -3.631 12.560 -40.765 1.00 51.31 H new ATOM 0 HB2 PHE A 63 -4.850 13.588 -43.202 1.00 55.31 H new ATOM 0 HB3 PHE A 63 -4.956 11.839 -43.165 1.00 55.31 H new ATOM 0 HD1 PHE A 63 -5.088 14.308 -40.358 1.00 73.20 H new ATOM 0 HD2 PHE A 63 -7.160 11.338 -42.601 1.00 74.03 H new ATOM 0 HE1 PHE A 63 -6.983 14.458 -38.802 1.00 75.23 H new ATOM 0 HE2 PHE A 63 -9.059 11.488 -41.049 1.00 64.12 H new ATOM 0 HZ PHE A 63 -8.972 13.045 -39.144 1.00 24.23 H new ATOM 1002 N ALA A 64 -1.854 11.638 -43.330 1.00 41.40 N ATOM 1003 CA ALA A 64 -1.053 10.555 -43.887 1.00 2.34 C ATOM 1004 C ALA A 64 0.181 10.290 -43.031 1.00 62.50 C ATOM 1005 O ALA A 64 0.743 9.195 -43.058 1.00 50.54 O ATOM 1006 CB ALA A 64 -0.646 10.880 -45.316 1.00 52.42 C ATOM 0 H ALA A 64 -1.705 12.544 -43.774 1.00 41.40 H new ATOM 0 HA ALA A 64 -1.662 9.651 -43.891 1.00 2.34 H new ATOM 0 HB1 ALA A 64 -0.048 10.062 -45.719 1.00 52.42 H new ATOM 0 HB2 ALA A 64 -1.539 11.013 -45.927 1.00 52.42 H new ATOM 0 HB3 ALA A 64 -0.059 11.798 -45.327 1.00 52.42 H new ATOM 1012 N ASN A 65 0.598 11.298 -42.272 1.00 40.14 N ATOM 1013 CA ASN A 65 1.767 11.173 -41.409 1.00 41.15 C ATOM 1014 C ASN A 65 1.677 9.915 -40.551 1.00 5.10 C ATOM 1015 O ASN A 65 0.717 9.727 -39.804 1.00 12.11 O ATOM 1016 CB ASN A 65 1.900 12.407 -40.514 1.00 62.32 C ATOM 1017 CG ASN A 65 2.388 12.060 -39.121 1.00 21.12 C ATOM 1018 OD1 ASN A 65 3.591 11.954 -38.881 1.00 11.03 O ATOM 1019 ND2 ASN A 65 1.454 11.881 -38.194 1.00 73.25 N ATOM 0 H ASN A 65 0.144 12.211 -42.237 1.00 40.14 H new ATOM 0 HA ASN A 65 2.650 11.096 -42.043 1.00 41.15 H new ATOM 0 HB2 ASN A 65 2.592 13.113 -40.973 1.00 62.32 H new ATOM 0 HB3 ASN A 65 0.934 12.907 -40.444 1.00 62.32 H new ATOM 0 HD21 ASN A 65 1.722 11.646 -37.238 1.00 73.25 H new ATOM 0 HD22 ASN A 65 0.468 11.979 -38.438 1.00 73.25 H new ATOM 1026 N CYS A 66 2.685 9.056 -40.662 1.00 44.44 N ATOM 1027 CA CYS A 66 2.722 7.816 -39.897 1.00 40.12 C ATOM 1028 C CYS A 66 4.161 7.397 -39.609 1.00 12.11 C ATOM 1029 O CYS A 66 5.107 7.851 -40.253 1.00 12.33 O ATOM 1030 CB CYS A 66 1.997 6.703 -40.656 1.00 23.40 C ATOM 1031 SG CYS A 66 0.322 6.348 -40.035 1.00 20.14 S ATOM 0 H CYS A 66 3.488 9.197 -41.275 1.00 44.44 H new ATOM 0 HA CYS A 66 2.216 7.989 -38.947 1.00 40.12 H new ATOM 0 HB2 CYS A 66 1.932 6.979 -41.709 1.00 23.40 H new ATOM 0 HB3 CYS A 66 2.594 5.792 -40.601 1.00 23.40 H new ATOM 1036 N PRO A 67 4.331 6.509 -38.618 1.00 1.41 N ATOM 1037 CA PRO A 67 5.651 6.009 -38.222 1.00 33.32 C ATOM 1038 C PRO A 67 6.265 5.096 -39.277 1.00 61.33 C ATOM 1039 O PRO A 67 5.605 4.671 -40.226 1.00 33.24 O ATOM 1040 CB PRO A 67 5.362 5.225 -36.939 1.00 63.31 C ATOM 1041 CG PRO A 67 3.934 4.818 -37.057 1.00 10.02 C ATOM 1042 CD PRO A 67 3.249 5.926 -37.808 1.00 74.31 C ATOM 0 HA PRO A 67 6.371 6.817 -38.092 1.00 33.32 H new ATOM 0 HB2 PRO A 67 6.015 4.357 -36.850 1.00 63.31 H new ATOM 0 HB3 PRO A 67 5.527 5.840 -36.054 1.00 63.31 H new ATOM 0 HG2 PRO A 67 3.841 3.871 -37.588 1.00 10.02 H new ATOM 0 HG3 PRO A 67 3.486 4.678 -36.073 1.00 10.02 H new ATOM 0 HD2 PRO A 67 2.439 5.548 -38.432 1.00 74.31 H new ATOM 0 HD3 PRO A 67 2.813 6.661 -37.131 1.00 74.31 H new ATOM 1050 N PRO A 68 7.559 4.785 -39.111 1.00 44.24 N ATOM 1051 CA PRO A 68 8.291 3.918 -40.040 1.00 52.31 C ATOM 1052 C PRO A 68 7.831 2.466 -39.962 1.00 2.42 C ATOM 1053 O PRO A 68 7.229 2.048 -38.972 1.00 61.43 O ATOM 1054 CB PRO A 68 9.743 4.045 -39.574 1.00 44.24 C ATOM 1055 CG PRO A 68 9.649 4.416 -38.135 1.00 34.13 C ATOM 1056 CD PRO A 68 8.408 5.256 -38.004 1.00 63.11 C ATOM 0 HA PRO A 68 8.135 4.210 -41.079 1.00 52.31 H new ATOM 0 HB2 PRO A 68 10.284 3.108 -39.707 1.00 44.24 H new ATOM 0 HB3 PRO A 68 10.277 4.805 -40.145 1.00 44.24 H new ATOM 0 HG2 PRO A 68 9.587 3.528 -37.506 1.00 34.13 H new ATOM 0 HG3 PRO A 68 10.531 4.971 -37.817 1.00 34.13 H new ATOM 0 HD2 PRO A 68 7.925 5.111 -37.038 1.00 63.11 H new ATOM 0 HD3 PRO A 68 8.631 6.319 -38.093 1.00 63.11 H new ATOM 1064 N LEU A 69 8.119 1.702 -41.010 1.00 12.51 N ATOM 1065 CA LEU A 69 7.735 0.296 -41.060 1.00 23.24 C ATOM 1066 C LEU A 69 8.950 -0.591 -41.311 1.00 24.34 C ATOM 1067 O LEU A 69 8.872 -1.572 -42.049 1.00 70.32 O ATOM 1068 CB LEU A 69 6.690 0.070 -42.153 1.00 41.24 C ATOM 1069 CG LEU A 69 7.038 0.619 -43.538 1.00 31.04 C ATOM 1070 CD1 LEU A 69 6.419 -0.245 -44.625 1.00 63.24 C ATOM 1071 CD2 LEU A 69 6.573 2.062 -43.671 1.00 63.15 C ATOM 0 H LEU A 69 8.617 2.033 -41.836 1.00 12.51 H new ATOM 0 HA LEU A 69 7.305 0.028 -40.095 1.00 23.24 H new ATOM 0 HB2 LEU A 69 6.513 -1.002 -42.243 1.00 41.24 H new ATOM 0 HB3 LEU A 69 5.752 0.522 -41.830 1.00 41.24 H new ATOM 0 HG LEU A 69 8.121 0.595 -43.657 1.00 31.04 H new ATOM 0 HD11 LEU A 69 6.677 0.161 -45.603 1.00 63.24 H new ATOM 0 HD12 LEU A 69 6.800 -1.263 -44.542 1.00 63.24 H new ATOM 0 HD13 LEU A 69 5.335 -0.253 -44.510 1.00 63.24 H new ATOM 0 HD21 LEU A 69 6.829 2.437 -44.662 1.00 63.15 H new ATOM 0 HD22 LEU A 69 5.493 2.111 -43.532 1.00 63.15 H new ATOM 0 HD23 LEU A 69 7.064 2.674 -42.914 1.00 63.15 H new ATOM 1083 N GLU A 70 10.072 -0.240 -40.689 1.00 72.10 N ATOM 1084 CA GLU A 70 11.303 -1.006 -40.845 1.00 32.03 C ATOM 1085 C GLU A 70 11.801 -1.515 -39.495 1.00 45.32 C ATOM 1086 O GLU A 70 11.308 -2.516 -38.978 1.00 22.22 O ATOM 1087 CB GLU A 70 12.382 -0.149 -41.510 1.00 22.33 C ATOM 1088 CG GLU A 70 12.147 0.084 -42.993 1.00 34.35 C ATOM 1089 CD GLU A 70 13.426 0.395 -43.745 1.00 30.23 C ATOM 1090 OE1 GLU A 70 14.490 -0.122 -43.345 1.00 43.24 O ATOM 1091 OE2 GLU A 70 13.362 1.155 -44.733 1.00 41.34 O ATOM 0 H GLU A 70 10.153 0.569 -40.073 1.00 72.10 H new ATOM 0 HA GLU A 70 11.089 -1.865 -41.481 1.00 32.03 H new ATOM 0 HB2 GLU A 70 12.432 0.815 -41.003 1.00 22.33 H new ATOM 0 HB3 GLU A 70 13.351 -0.631 -41.376 1.00 22.33 H new ATOM 0 HG2 GLU A 70 11.681 -0.801 -43.427 1.00 34.35 H new ATOM 0 HG3 GLU A 70 11.445 0.908 -43.121 1.00 34.35 H new TER 1098 GLU A 70