USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.99! C(o=-2!,f=-3.7!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 161:sc= -0.0389 (180deg=-0.807!) USER MOD Set 3.1: A 42 GLN : amide:sc= 0.409 K(o=1.6,f=-4.2!) USER MOD Set 3.2: A 48 TYR OH : rot -43:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.202 (180deg=-2.77!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 114:sc= 0.00255 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 17 CYS SG : rot 100:sc= -1.59! USER MOD Single : A 18 HIS : no HE2:sc= 0.314 K(o=0.31,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= 2.34 (180deg=0.732) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.01) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.04 K(o=1,f=-0.24) USER MOD Single : A 33 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.27) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 79:sc= 0.321 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00437) USER MOD Single : A 63 THR OG1 : rot -130:sc= -0.171 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 149:sc= 0.744 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.523 -4.176 -15.276 1.00 10.00 N ATOM 2 CA GLY A 1 -4.098 -4.162 -15.064 1.00 10.00 C ATOM 3 C GLY A 1 -3.682 -5.618 -15.189 1.00 10.00 C ATOM 4 O GLY A 1 -4.495 -6.507 -14.940 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.790 -3.384 -15.895 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.799 -5.073 -15.723 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.011 -4.080 -14.362 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.593 -3.540 -15.803 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.846 -3.760 -14.083 1.00 10.00 H new ATOM 10 N ASP A 2 -2.491 -5.842 -15.694 1.00 10.00 N ATOM 11 CA ASP A 2 -1.851 -7.143 -15.796 1.00 10.00 C ATOM 12 C ASP A 2 -1.356 -7.598 -14.416 1.00 10.00 C ATOM 13 O ASP A 2 -0.557 -6.911 -13.782 1.00 10.00 O ATOM 14 CB ASP A 2 -0.665 -7.057 -16.757 1.00 10.00 C ATOM 15 CG ASP A 2 -0.198 -8.436 -17.187 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.233 -9.336 -16.321 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.211 -8.564 -18.358 1.00 10.00 O ATOM 0 H ASP A 2 -1.910 -5.089 -16.064 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.576 -7.865 -16.171 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.948 -6.477 -17.635 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.157 -6.527 -16.276 1.00 10.00 H new ATOM 22 N VAL A 3 -1.799 -8.768 -13.952 1.00 10.00 N ATOM 23 CA VAL A 3 -1.316 -9.371 -12.715 1.00 10.00 C ATOM 24 C VAL A 3 0.182 -9.693 -12.826 1.00 10.00 C ATOM 25 O VAL A 3 0.925 -9.475 -11.869 1.00 10.00 O ATOM 26 CB VAL A 3 -2.150 -10.628 -12.391 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.728 -11.337 -11.091 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.643 -10.285 -12.271 1.00 10.00 C ATOM 0 H VAL A 3 -2.508 -9.325 -14.429 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.436 -8.665 -11.893 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.966 -11.305 -13.226 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.360 -12.211 -10.931 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.687 -11.651 -11.169 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.838 -10.652 -10.251 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.207 -11.189 -12.042 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.786 -9.557 -11.473 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.997 -9.865 -13.213 1.00 10.00 H new ATOM 38 N GLU A 4 0.641 -10.217 -13.968 1.00 10.00 N ATOM 39 CA GLU A 4 2.040 -10.583 -14.131 1.00 10.00 C ATOM 40 C GLU A 4 2.892 -9.331 -14.010 1.00 10.00 C ATOM 41 O GLU A 4 3.744 -9.237 -13.127 1.00 10.00 O ATOM 42 CB GLU A 4 2.291 -11.287 -15.475 1.00 10.00 C ATOM 43 CG GLU A 4 2.243 -12.814 -15.331 1.00 10.00 C ATOM 44 CD GLU A 4 3.557 -13.386 -14.796 1.00 10.00 C ATOM 45 OE1 GLU A 4 3.841 -13.182 -13.593 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.272 -14.011 -15.606 1.00 10.00 O ATOM 0 H GLU A 4 0.060 -10.394 -14.788 1.00 10.00 H new ATOM 0 HA GLU A 4 2.312 -11.291 -13.349 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.543 -10.966 -16.200 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.263 -10.988 -15.867 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.429 -13.088 -14.660 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.022 -13.262 -16.300 1.00 10.00 H new ATOM 53 N LYS A 5 2.655 -8.345 -14.878 1.00 10.00 N ATOM 54 CA LYS A 5 3.422 -7.117 -14.790 1.00 10.00 C ATOM 55 C LYS A 5 3.261 -6.507 -13.407 1.00 10.00 C ATOM 56 O LYS A 5 4.258 -6.122 -12.813 1.00 10.00 O ATOM 57 CB LYS A 5 3.077 -6.121 -15.887 1.00 10.00 C ATOM 58 CG LYS A 5 3.586 -6.575 -17.250 1.00 10.00 C ATOM 59 CD LYS A 5 4.089 -5.327 -17.985 1.00 10.00 C ATOM 60 CE LYS A 5 4.289 -5.664 -19.457 1.00 10.00 C ATOM 61 NZ LYS A 5 5.039 -4.613 -20.173 1.00 10.00 N ATOM 0 H LYS A 5 1.960 -8.375 -15.624 1.00 10.00 H new ATOM 0 HA LYS A 5 4.470 -7.372 -14.946 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.996 -5.988 -15.929 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.508 -5.150 -15.644 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.388 -7.305 -17.138 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.791 -7.060 -17.816 1.00 10.00 H new ATOM 0 HD2 LYS A 5 3.371 -4.513 -17.879 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.026 -4.984 -17.547 1.00 10.00 H new ATOM 0 HE2 LYS A 5 4.823 -6.611 -19.542 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.318 -5.802 -19.932 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 5.151 -4.885 -21.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 4.518 -3.715 -20.115 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.977 -4.498 -19.738 1.00 10.00 H new ATOM 75 N GLY A 6 2.047 -6.479 -12.860 1.00 10.00 N ATOM 76 CA GLY A 6 1.803 -6.019 -11.506 1.00 10.00 C ATOM 77 C GLY A 6 2.737 -6.660 -10.477 1.00 10.00 C ATOM 78 O GLY A 6 3.284 -5.969 -9.613 1.00 10.00 O ATOM 0 H GLY A 6 1.205 -6.778 -13.351 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.921 -4.936 -11.470 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.770 -6.237 -11.235 1.00 10.00 H new ATOM 82 N LYS A 7 2.921 -7.983 -10.570 1.00 10.00 N ATOM 83 CA LYS A 7 3.781 -8.740 -9.686 1.00 10.00 C ATOM 84 C LYS A 7 5.170 -8.145 -9.812 1.00 10.00 C ATOM 85 O LYS A 7 5.780 -7.740 -8.823 1.00 10.00 O ATOM 86 CB LYS A 7 3.726 -10.234 -10.059 1.00 10.00 C ATOM 87 CG LYS A 7 4.586 -11.135 -9.166 1.00 10.00 C ATOM 88 CD LYS A 7 4.533 -12.591 -9.669 1.00 10.00 C ATOM 89 CE LYS A 7 4.080 -13.557 -8.562 1.00 10.00 C ATOM 90 NZ LYS A 7 4.097 -14.966 -9.009 1.00 10.00 N ATOM 0 H LYS A 7 2.463 -8.557 -11.278 1.00 10.00 H new ATOM 0 HA LYS A 7 3.463 -8.680 -8.645 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.691 -10.572 -10.008 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.049 -10.351 -11.093 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.617 -10.780 -9.165 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.230 -11.085 -8.137 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.849 -12.660 -10.515 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.518 -12.887 -10.031 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.731 -13.445 -7.695 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.073 -13.292 -8.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.784 -15.581 -8.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.456 -15.081 -9.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.063 -15.229 -9.291 1.00 10.00 H new ATOM 104 N LYS A 8 5.660 -8.068 -11.049 1.00 10.00 N ATOM 105 CA LYS A 8 7.013 -7.607 -11.260 1.00 10.00 C ATOM 106 C LYS A 8 7.154 -6.155 -10.797 1.00 10.00 C ATOM 107 O LYS A 8 8.150 -5.806 -10.180 1.00 10.00 O ATOM 108 CB LYS A 8 7.496 -7.820 -12.701 1.00 10.00 C ATOM 109 CG LYS A 8 7.050 -9.139 -13.352 1.00 10.00 C ATOM 110 CD LYS A 8 7.184 -10.413 -12.500 1.00 10.00 C ATOM 111 CE LYS A 8 8.649 -10.852 -12.358 1.00 10.00 C ATOM 112 NZ LYS A 8 8.763 -12.258 -11.919 1.00 10.00 N ATOM 0 H LYS A 8 5.147 -8.315 -11.896 1.00 10.00 H new ATOM 0 HA LYS A 8 7.674 -8.220 -10.648 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.139 -6.992 -13.313 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.585 -7.778 -12.712 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.006 -9.036 -13.647 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.627 -9.279 -14.266 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.760 -10.236 -11.512 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.606 -11.217 -12.955 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.159 -10.727 -13.313 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.154 -10.206 -11.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.767 -12.515 -11.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.298 -12.372 -10.996 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.304 -12.878 -12.617 1.00 10.00 H new ATOM 126 N ILE A 9 6.156 -5.308 -11.051 1.00 10.00 N ATOM 127 CA ILE A 9 6.147 -3.920 -10.646 1.00 10.00 C ATOM 128 C ILE A 9 6.316 -3.844 -9.137 1.00 10.00 C ATOM 129 O ILE A 9 7.296 -3.266 -8.682 1.00 10.00 O ATOM 130 CB ILE A 9 4.871 -3.222 -11.157 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.957 -2.996 -12.677 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.646 -1.868 -10.481 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.631 -2.494 -13.257 1.00 10.00 C ATOM 0 H ILE A 9 5.315 -5.585 -11.557 1.00 10.00 H new ATOM 0 HA ILE A 9 6.983 -3.382 -11.094 1.00 10.00 H new ATOM 0 HB ILE A 9 4.036 -3.879 -10.914 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.744 -2.273 -12.892 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.238 -3.928 -13.167 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.736 -1.413 -10.872 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.547 -2.011 -9.405 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.495 -1.215 -10.684 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.736 -2.348 -14.332 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.849 -3.229 -13.066 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.363 -1.548 -12.787 1.00 10.00 H new ATOM 145 N PHE A 10 5.401 -4.426 -8.360 1.00 10.00 N ATOM 146 CA PHE A 10 5.510 -4.413 -6.904 1.00 10.00 C ATOM 147 C PHE A 10 6.928 -4.812 -6.466 1.00 10.00 C ATOM 148 O PHE A 10 7.550 -4.137 -5.642 1.00 10.00 O ATOM 149 CB PHE A 10 4.444 -5.341 -6.317 1.00 10.00 C ATOM 150 CG PHE A 10 4.521 -5.501 -4.813 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.852 -4.600 -3.963 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.264 -6.562 -4.262 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.841 -4.821 -2.575 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.285 -6.759 -2.873 1.00 10.00 C ATOM 155 CZ PHE A 10 4.532 -5.920 -2.037 1.00 10.00 C ATOM 0 H PHE A 10 4.578 -4.911 -8.716 1.00 10.00 H new ATOM 0 HA PHE A 10 5.336 -3.406 -6.526 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.459 -4.957 -6.580 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.538 -6.323 -6.781 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.348 -3.740 -4.377 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.819 -7.225 -4.909 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.303 -4.148 -1.924 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.879 -7.554 -2.448 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.483 -6.120 -0.977 1.00 10.00 H new ATOM 165 N VAL A 11 7.450 -5.883 -7.073 1.00 10.00 N ATOM 166 CA VAL A 11 8.774 -6.426 -6.785 1.00 10.00 C ATOM 167 C VAL A 11 9.914 -5.500 -7.242 1.00 10.00 C ATOM 168 O VAL A 11 11.011 -5.544 -6.692 1.00 10.00 O ATOM 169 CB VAL A 11 8.885 -7.827 -7.408 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.269 -8.460 -7.216 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.854 -8.763 -6.769 1.00 10.00 C ATOM 0 H VAL A 11 6.950 -6.405 -7.793 1.00 10.00 H new ATOM 0 HA VAL A 11 8.887 -6.501 -5.703 1.00 10.00 H new ATOM 0 HB VAL A 11 8.708 -7.700 -8.476 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.285 -9.447 -7.677 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.025 -7.829 -7.683 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.482 -8.554 -6.151 1.00 10.00 H new ATOM 0 HG21 VAL A 11 7.937 -9.754 -7.214 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.039 -8.830 -5.697 1.00 10.00 H new ATOM 0 HG23 VAL A 11 6.851 -8.371 -6.941 1.00 10.00 H new ATOM 181 N GLN A 12 9.694 -4.691 -8.275 1.00 10.00 N ATOM 182 CA GLN A 12 10.702 -3.809 -8.851 1.00 10.00 C ATOM 183 C GLN A 12 10.569 -2.380 -8.316 1.00 10.00 C ATOM 184 O GLN A 12 11.429 -1.548 -8.596 1.00 10.00 O ATOM 185 CB GLN A 12 10.570 -3.850 -10.376 1.00 10.00 C ATOM 186 CG GLN A 12 10.943 -5.238 -10.926 1.00 10.00 C ATOM 187 CD GLN A 12 12.446 -5.412 -11.096 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.021 -4.930 -12.065 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.094 -6.113 -10.170 1.00 10.00 N ATOM 0 H GLN A 12 8.790 -4.630 -8.744 1.00 10.00 H new ATOM 0 HA GLN A 12 11.694 -4.155 -8.562 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.547 -3.604 -10.663 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.216 -3.093 -10.821 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.565 -6.006 -10.251 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.452 -5.389 -11.887 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.586 -6.501 -9.375 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.099 -6.263 -10.254 1.00 10.00 H new ATOM 198 N LYS A 13 9.476 -2.072 -7.610 1.00 10.00 N ATOM 199 CA LYS A 13 9.171 -0.746 -7.090 1.00 10.00 C ATOM 200 C LYS A 13 9.319 -0.719 -5.570 1.00 10.00 C ATOM 201 O LYS A 13 9.973 0.181 -5.046 1.00 10.00 O ATOM 202 CB LYS A 13 7.738 -0.350 -7.471 1.00 10.00 C ATOM 203 CG LYS A 13 7.560 0.208 -8.893 1.00 10.00 C ATOM 204 CD LYS A 13 8.442 -0.424 -9.975 1.00 10.00 C ATOM 205 CE LYS A 13 8.101 0.115 -11.370 1.00 10.00 C ATOM 206 NZ LYS A 13 8.908 -0.554 -12.410 1.00 10.00 N ATOM 0 H LYS A 13 8.761 -2.763 -7.381 1.00 10.00 H new ATOM 0 HA LYS A 13 9.873 -0.036 -7.526 1.00 10.00 H new ATOM 0 HB2 LYS A 13 7.097 -1.224 -7.360 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.385 0.397 -6.760 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.517 0.084 -9.183 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.759 1.279 -8.870 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.490 -0.223 -9.753 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.315 -1.506 -9.962 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.041 -0.038 -11.573 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.280 1.190 -11.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.658 -0.171 -13.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.918 -0.387 -12.227 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.718 -1.576 -12.393 1.00 10.00 H new ATOM 220 N CYS A 14 8.666 -1.653 -4.869 1.00 10.00 N ATOM 221 CA CYS A 14 8.592 -1.647 -3.413 1.00 10.00 C ATOM 222 C CYS A 14 9.373 -2.851 -2.863 1.00 10.00 C ATOM 223 O CYS A 14 10.484 -2.672 -2.374 1.00 10.00 O ATOM 224 CB CYS A 14 7.155 -1.513 -2.910 1.00 10.00 C ATOM 225 SG CYS A 14 5.881 -1.172 -4.196 1.00 10.00 S ATOM 0 H CYS A 14 8.174 -2.435 -5.302 1.00 10.00 H new ATOM 0 HA CYS A 14 9.078 -0.756 -3.016 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.884 -2.434 -2.393 1.00 10.00 H new ATOM 0 HB3 CYS A 14 7.122 -0.711 -2.172 1.00 10.00 H new ATOM 0 HG CYS A 14 5.082 -2.193 -4.297 1.00 10.00 H new ATOM 230 N ALA A 15 8.824 -4.067 -2.973 1.00 10.00 N ATOM 231 CA ALA A 15 9.408 -5.337 -2.517 1.00 10.00 C ATOM 232 C ALA A 15 10.103 -5.299 -1.148 1.00 10.00 C ATOM 233 O ALA A 15 9.537 -5.735 -0.152 1.00 10.00 O ATOM 234 CB ALA A 15 10.327 -5.929 -3.590 1.00 10.00 C ATOM 0 H ALA A 15 7.910 -4.200 -3.406 1.00 10.00 H new ATOM 0 HA ALA A 15 8.552 -5.993 -2.361 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.748 -6.868 -3.231 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.754 -6.112 -4.499 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.134 -5.228 -3.805 1.00 10.00 H new ATOM 240 N GLN A 16 11.349 -4.824 -1.069 1.00 10.00 N ATOM 241 CA GLN A 16 12.125 -4.761 0.158 1.00 10.00 C ATOM 242 C GLN A 16 11.623 -3.608 1.046 1.00 10.00 C ATOM 243 O GLN A 16 12.361 -2.695 1.406 1.00 10.00 O ATOM 244 CB GLN A 16 13.629 -4.702 -0.196 1.00 10.00 C ATOM 245 CG GLN A 16 14.389 -5.939 0.307 1.00 10.00 C ATOM 246 CD GLN A 16 15.746 -5.577 0.908 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.816 -4.812 1.863 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.835 -6.135 0.389 1.00 10.00 N ATOM 0 H GLN A 16 11.852 -4.465 -1.880 1.00 10.00 H new ATOM 0 HA GLN A 16 11.989 -5.660 0.758 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.744 -4.621 -1.277 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.069 -3.805 0.239 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.787 -6.453 1.056 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.533 -6.635 -0.519 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.754 -6.769 -0.406 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.752 -5.929 0.786 1.00 10.00 H new ATOM 257 N CYS A 17 10.347 -3.699 1.425 1.00 10.00 N ATOM 258 CA CYS A 17 9.643 -2.877 2.399 1.00 10.00 C ATOM 259 C CYS A 17 8.252 -3.473 2.653 1.00 10.00 C ATOM 260 O CYS A 17 7.801 -3.452 3.794 1.00 10.00 O ATOM 261 CB CYS A 17 9.556 -1.410 2.020 1.00 10.00 C ATOM 262 SG CYS A 17 9.026 -0.516 3.517 1.00 10.00 S ATOM 0 H CYS A 17 9.734 -4.408 1.024 1.00 10.00 H new ATOM 0 HA CYS A 17 10.229 -2.894 3.318 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.521 -1.042 1.670 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.845 -1.261 1.208 1.00 10.00 H new ATOM 0 HG CYS A 17 10.060 0.029 4.086 1.00 10.00 H new ATOM 267 N HIS A 18 7.583 -4.014 1.619 1.00 10.00 N ATOM 268 CA HIS A 18 6.264 -4.633 1.718 1.00 10.00 C ATOM 269 C HIS A 18 6.275 -6.041 1.163 1.00 10.00 C ATOM 270 O HIS A 18 6.961 -6.337 0.191 1.00 10.00 O ATOM 271 CB HIS A 18 5.256 -3.880 0.859 1.00 10.00 C ATOM 272 CG HIS A 18 4.608 -2.736 1.554 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.607 -2.803 2.501 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.681 -1.461 1.096 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.089 -1.564 2.594 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.725 -0.713 1.767 1.00 10.00 N ATOM 0 H HIS A 18 7.960 -4.029 0.671 1.00 10.00 H new ATOM 0 HA HIS A 18 6.000 -4.620 2.776 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.759 -3.512 -0.035 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.485 -4.575 0.527 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.317 -3.628 3.026 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.362 -1.094 0.343 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.272 -1.289 3.245 1.00 10.00 H new ATOM 284 N THR A 19 5.384 -6.866 1.698 1.00 10.00 N ATOM 285 CA THR A 19 5.177 -8.215 1.231 1.00 10.00 C ATOM 286 C THR A 19 3.672 -8.447 1.157 1.00 10.00 C ATOM 287 O THR A 19 2.962 -8.024 2.065 1.00 10.00 O ATOM 288 CB THR A 19 5.844 -9.155 2.235 1.00 10.00 C ATOM 289 OG1 THR A 19 7.183 -8.790 2.507 1.00 10.00 O ATOM 290 CG2 THR A 19 5.858 -10.553 1.652 1.00 10.00 C ATOM 0 H THR A 19 4.781 -6.606 2.478 1.00 10.00 H new ATOM 0 HA THR A 19 5.608 -8.393 0.246 1.00 10.00 H new ATOM 0 HB THR A 19 5.276 -9.100 3.164 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.568 -9.417 3.154 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.331 -11.236 2.357 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.835 -10.878 1.462 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.418 -10.552 0.717 1.00 10.00 H new ATOM 298 N VAL A 20 3.189 -9.107 0.104 1.00 10.00 N ATOM 299 CA VAL A 20 1.778 -9.403 -0.122 1.00 10.00 C ATOM 300 C VAL A 20 1.632 -10.917 -0.286 1.00 10.00 C ATOM 301 O VAL A 20 1.115 -11.398 -1.286 1.00 10.00 O ATOM 302 CB VAL A 20 1.275 -8.613 -1.344 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.163 -7.121 -1.009 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.192 -8.773 -2.562 1.00 10.00 C ATOM 0 H VAL A 20 3.791 -9.461 -0.639 1.00 10.00 H new ATOM 0 HA VAL A 20 1.162 -9.093 0.722 1.00 10.00 H new ATOM 0 HB VAL A 20 0.296 -9.022 -1.594 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.806 -6.577 -1.884 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.462 -6.985 -0.186 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.142 -6.739 -0.719 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.793 -8.196 -3.396 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.190 -8.411 -2.316 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.246 -9.825 -2.841 1.00 10.00 H new ATOM 314 N GLU A 21 2.152 -11.646 0.702 1.00 10.00 N ATOM 315 CA GLU A 21 2.179 -13.098 0.789 1.00 10.00 C ATOM 316 C GLU A 21 1.922 -13.455 2.247 1.00 10.00 C ATOM 317 O GLU A 21 2.019 -12.597 3.119 1.00 10.00 O ATOM 318 CB GLU A 21 3.574 -13.612 0.403 1.00 10.00 C ATOM 319 CG GLU A 21 3.853 -13.543 -1.104 1.00 10.00 C ATOM 320 CD GLU A 21 3.249 -14.708 -1.888 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.900 -15.722 -1.238 1.00 10.00 O ATOM 322 OE2 GLU A 21 3.214 -14.583 -3.131 1.00 10.00 O ATOM 0 H GLU A 21 2.592 -11.207 1.511 1.00 10.00 H new ATOM 0 HA GLU A 21 1.437 -13.540 0.124 1.00 10.00 H new ATOM 0 HB2 GLU A 21 4.327 -13.028 0.932 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.678 -14.644 0.737 1.00 10.00 H new ATOM 0 HG2 GLU A 21 3.457 -12.607 -1.497 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.931 -13.526 -1.266 1.00 10.00 H new ATOM 329 N LYS A 22 1.696 -14.733 2.527 1.00 10.00 N ATOM 330 CA LYS A 22 1.462 -15.239 3.875 1.00 10.00 C ATOM 331 C LYS A 22 2.771 -15.395 4.668 1.00 10.00 C ATOM 332 O LYS A 22 2.742 -15.748 5.843 1.00 10.00 O ATOM 333 CB LYS A 22 0.639 -16.540 3.817 1.00 10.00 C ATOM 334 CG LYS A 22 1.130 -17.560 2.776 1.00 10.00 C ATOM 335 CD LYS A 22 0.615 -17.279 1.349 1.00 10.00 C ATOM 336 CE LYS A 22 -0.396 -18.327 0.875 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.928 -17.978 -0.456 1.00 10.00 N ATOM 0 H LYS A 22 1.670 -15.460 1.812 1.00 10.00 H new ATOM 0 HA LYS A 22 0.875 -14.502 4.424 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.654 -17.008 4.801 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.399 -16.289 3.599 1.00 10.00 H new ATOM 0 HG2 LYS A 22 2.220 -17.562 2.767 1.00 10.00 H new ATOM 0 HG3 LYS A 22 0.812 -18.558 3.079 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.152 -16.293 1.321 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.459 -17.255 0.660 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.080 -19.307 0.836 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.215 -18.399 1.591 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.962 -18.090 -0.457 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -0.687 -16.991 -0.678 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.511 -18.606 -1.172 1.00 10.00 H new ATOM 351 N GLY A 23 3.921 -15.137 4.033 1.00 10.00 N ATOM 352 CA GLY A 23 5.239 -15.219 4.652 1.00 10.00 C ATOM 353 C GLY A 23 5.797 -13.849 5.040 1.00 10.00 C ATOM 354 O GLY A 23 6.883 -13.770 5.616 1.00 10.00 O ATOM 0 H GLY A 23 3.956 -14.859 3.052 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.180 -15.847 5.541 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.929 -15.706 3.963 1.00 10.00 H new ATOM 358 N GLY A 24 5.094 -12.760 4.708 1.00 10.00 N ATOM 359 CA GLY A 24 5.545 -11.427 5.062 1.00 10.00 C ATOM 360 C GLY A 24 5.687 -11.281 6.574 1.00 10.00 C ATOM 361 O GLY A 24 4.845 -11.753 7.333 1.00 10.00 O ATOM 0 H GLY A 24 4.213 -12.785 4.195 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.502 -11.224 4.582 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.837 -10.688 4.687 1.00 10.00 H new ATOM 365 N LYS A 25 6.772 -10.633 7.002 1.00 10.00 N ATOM 366 CA LYS A 25 7.032 -10.334 8.402 1.00 10.00 C ATOM 367 C LYS A 25 6.676 -8.874 8.669 1.00 10.00 C ATOM 368 O LYS A 25 6.013 -8.248 7.844 1.00 10.00 O ATOM 369 CB LYS A 25 8.494 -10.664 8.734 1.00 10.00 C ATOM 370 CG LYS A 25 8.818 -12.101 8.299 1.00 10.00 C ATOM 371 CD LYS A 25 10.057 -12.650 9.027 1.00 10.00 C ATOM 372 CE LYS A 25 9.743 -14.043 9.595 1.00 10.00 C ATOM 373 NZ LYS A 25 10.846 -14.580 10.419 1.00 10.00 N ATOM 0 H LYS A 25 7.502 -10.299 6.373 1.00 10.00 H new ATOM 0 HA LYS A 25 6.413 -10.948 9.056 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.158 -9.963 8.228 1.00 10.00 H new ATOM 0 HB3 LYS A 25 8.667 -10.551 9.804 1.00 10.00 H new ATOM 0 HG2 LYS A 25 7.962 -12.744 8.502 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.988 -12.126 7.223 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.900 -12.708 8.339 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.348 -11.975 9.832 1.00 10.00 H new ATOM 0 HE2 LYS A 25 8.836 -13.990 10.197 1.00 10.00 H new ATOM 0 HE3 LYS A 25 9.540 -14.730 8.773 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 10.585 -15.520 10.778 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.706 -14.657 9.840 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 11.024 -13.941 11.220 1.00 10.00 H new ATOM 387 N HIS A 26 7.119 -8.331 9.807 1.00 10.00 N ATOM 388 CA HIS A 26 6.748 -6.981 10.197 1.00 10.00 C ATOM 389 C HIS A 26 7.402 -5.962 9.262 1.00 10.00 C ATOM 390 O HIS A 26 6.724 -5.376 8.425 1.00 10.00 O ATOM 391 CB HIS A 26 7.104 -6.726 11.678 1.00 10.00 C ATOM 392 CG HIS A 26 6.685 -7.798 12.659 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.401 -8.187 13.771 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.557 -8.575 12.605 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.724 -9.186 14.363 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.603 -9.468 13.680 1.00 10.00 N ATOM 0 H HIS A 26 7.732 -8.809 10.467 1.00 10.00 H new ATOM 0 HA HIS A 26 5.668 -6.866 10.103 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.184 -6.595 11.753 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.647 -5.785 11.983 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.773 -8.509 11.865 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.038 -9.692 15.264 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.919 -10.192 13.902 1.00 10.00 H new ATOM 404 N LYS A 27 8.723 -5.780 9.393 1.00 10.00 N ATOM 405 CA LYS A 27 9.487 -4.808 8.619 1.00 10.00 C ATOM 406 C LYS A 27 8.858 -3.405 8.712 1.00 10.00 C ATOM 407 O LYS A 27 8.068 -3.132 9.615 1.00 10.00 O ATOM 408 CB LYS A 27 9.668 -5.335 7.181 1.00 10.00 C ATOM 409 CG LYS A 27 10.553 -6.590 7.175 1.00 10.00 C ATOM 410 CD LYS A 27 10.770 -7.086 5.737 1.00 10.00 C ATOM 411 CE LYS A 27 11.918 -8.109 5.637 1.00 10.00 C ATOM 412 NZ LYS A 27 11.445 -9.507 5.586 1.00 10.00 N ATOM 0 H LYS A 27 9.293 -6.313 10.050 1.00 10.00 H new ATOM 0 HA LYS A 27 10.486 -4.689 9.038 1.00 10.00 H new ATOM 0 HB2 LYS A 27 8.695 -5.567 6.747 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.119 -4.562 6.558 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.514 -6.367 7.638 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.086 -7.375 7.771 1.00 10.00 H new ATOM 0 HD2 LYS A 27 9.850 -7.539 5.369 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.987 -6.236 5.091 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.508 -7.898 4.745 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.581 -7.987 6.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 12.262 -10.148 5.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 10.905 -9.723 6.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 10.834 -9.637 4.754 1.00 10.00 H new ATOM 426 N THR A 28 9.246 -2.495 7.817 1.00 10.00 N ATOM 427 CA THR A 28 8.661 -1.168 7.753 1.00 10.00 C ATOM 428 C THR A 28 7.233 -1.261 7.208 1.00 10.00 C ATOM 429 O THR A 28 6.288 -0.940 7.924 1.00 10.00 O ATOM 430 CB THR A 28 9.591 -0.233 6.973 1.00 10.00 C ATOM 431 OG1 THR A 28 10.842 -0.183 7.627 1.00 10.00 O ATOM 432 CG2 THR A 28 9.025 1.185 6.867 1.00 10.00 C ATOM 0 H THR A 28 9.973 -2.663 7.121 1.00 10.00 H new ATOM 0 HA THR A 28 8.567 -0.727 8.745 1.00 10.00 H new ATOM 0 HB THR A 28 9.693 -0.627 5.962 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.445 0.412 7.134 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.718 1.812 6.306 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.064 1.156 6.353 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.889 1.598 7.866 1.00 10.00 H new ATOM 440 N GLY A 29 7.044 -1.670 5.949 1.00 10.00 N ATOM 441 CA GLY A 29 5.713 -1.783 5.379 1.00 10.00 C ATOM 442 C GLY A 29 5.069 -3.068 5.880 1.00 10.00 C ATOM 443 O GLY A 29 5.664 -4.133 5.717 1.00 10.00 O ATOM 0 H GLY A 29 7.799 -1.926 5.313 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.107 -0.922 5.663 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.768 -1.789 4.290 1.00 10.00 H new ATOM 447 N PRO A 30 3.872 -3.015 6.484 1.00 10.00 N ATOM 448 CA PRO A 30 3.262 -4.221 6.988 1.00 10.00 C ATOM 449 C PRO A 30 3.001 -5.185 5.838 1.00 10.00 C ATOM 450 O PRO A 30 2.788 -4.782 4.687 1.00 10.00 O ATOM 451 CB PRO A 30 1.982 -3.798 7.712 1.00 10.00 C ATOM 452 CG PRO A 30 1.649 -2.428 7.120 1.00 10.00 C ATOM 453 CD PRO A 30 3.007 -1.865 6.690 1.00 10.00 C ATOM 0 HA PRO A 30 3.909 -4.752 7.686 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.175 -4.511 7.543 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.135 -3.739 8.790 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.968 -2.515 6.274 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.165 -1.784 7.854 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.914 -1.278 5.776 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.414 -1.203 7.454 1.00 10.00 H new ATOM 461 N ASN A 31 3.042 -6.472 6.184 1.00 10.00 N ATOM 462 CA ASN A 31 2.684 -7.556 5.300 1.00 10.00 C ATOM 463 C ASN A 31 1.252 -7.346 4.827 1.00 10.00 C ATOM 464 O ASN A 31 0.309 -7.609 5.573 1.00 10.00 O ATOM 465 CB ASN A 31 2.813 -8.880 6.052 1.00 10.00 C ATOM 466 CG ASN A 31 2.225 -10.051 5.274 1.00 10.00 C ATOM 467 OD1 ASN A 31 1.728 -11.000 5.868 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.278 -10.021 3.945 1.00 10.00 N ATOM 0 H ASN A 31 3.333 -6.786 7.110 1.00 10.00 H new ATOM 0 HA ASN A 31 3.347 -7.580 4.435 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.865 -9.076 6.258 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.309 -8.798 7.015 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.901 -10.798 3.402 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.696 -9.221 3.469 1.00 10.00 H new ATOM 475 N LEU A 32 1.087 -6.880 3.590 1.00 10.00 N ATOM 476 CA LEU A 32 -0.217 -6.541 3.064 1.00 10.00 C ATOM 477 C LEU A 32 -0.973 -7.804 2.614 1.00 10.00 C ATOM 478 O LEU A 32 -1.390 -7.923 1.468 1.00 10.00 O ATOM 479 CB LEU A 32 -0.109 -5.431 1.997 1.00 10.00 C ATOM 480 CG LEU A 32 -0.324 -3.997 2.522 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.212 -3.040 1.320 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.625 -3.844 3.317 1.00 10.00 C ATOM 0 H LEU A 32 1.854 -6.731 2.934 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.831 -6.112 3.856 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.876 -5.488 1.534 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.841 -5.628 1.214 1.00 10.00 H new ATOM 0 HG LEU A 32 0.447 -3.744 3.250 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.359 -2.014 1.657 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.776 -3.136 0.870 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.973 -3.292 0.582 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.722 -2.814 3.661 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.473 -4.095 2.679 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.607 -4.514 4.177 1.00 10.00 H new ATOM 494 N HIS A 33 -1.202 -8.747 3.531 1.00 10.00 N ATOM 495 CA HIS A 33 -1.889 -10.011 3.264 1.00 10.00 C ATOM 496 C HIS A 33 -3.371 -9.903 3.650 1.00 10.00 C ATOM 497 O HIS A 33 -3.940 -10.784 4.288 1.00 10.00 O ATOM 498 CB HIS A 33 -1.139 -11.125 4.002 1.00 10.00 C ATOM 499 CG HIS A 33 -1.686 -12.516 3.809 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.809 -13.214 2.626 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.163 -13.314 4.811 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.380 -14.395 2.918 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.599 -14.511 4.239 1.00 10.00 N ATOM 0 H HIS A 33 -0.907 -8.650 4.503 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.882 -10.252 2.201 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.098 -11.115 3.678 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.143 -10.897 5.068 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.197 -13.063 5.861 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.630 -15.151 2.188 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.002 -15.312 4.725 1.00 10.00 H new ATOM 511 N GLY A 34 -4.001 -8.789 3.278 1.00 10.00 N ATOM 512 CA GLY A 34 -5.428 -8.580 3.487 1.00 10.00 C ATOM 513 C GLY A 34 -5.795 -7.116 3.299 1.00 10.00 C ATOM 514 O GLY A 34 -6.554 -6.554 4.083 1.00 10.00 O ATOM 0 H GLY A 34 -3.532 -8.006 2.822 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.996 -9.194 2.788 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.704 -8.902 4.491 1.00 10.00 H new ATOM 518 N LEU A 35 -5.233 -6.494 2.258 1.00 10.00 N ATOM 519 CA LEU A 35 -5.463 -5.095 1.964 1.00 10.00 C ATOM 520 C LEU A 35 -6.926 -4.911 1.560 1.00 10.00 C ATOM 521 O LEU A 35 -7.671 -4.127 2.144 1.00 10.00 O ATOM 522 CB LEU A 35 -4.502 -4.663 0.838 1.00 10.00 C ATOM 523 CG LEU A 35 -4.581 -3.182 0.439 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.200 -2.226 1.565 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.643 -2.917 -0.730 1.00 10.00 C ATOM 0 H LEU A 35 -4.606 -6.957 1.600 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.270 -4.471 2.837 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.481 -4.884 1.149 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.705 -5.271 -0.044 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.623 -2.996 0.178 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.279 -1.198 1.212 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.873 -2.372 2.410 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.175 -2.424 1.879 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.701 -1.866 -1.012 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.621 -3.159 -0.439 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.935 -3.536 -1.578 1.00 10.00 H new ATOM 537 N PHE A 36 -7.328 -5.679 0.549 1.00 10.00 N ATOM 538 CA PHE A 36 -8.672 -5.668 0.010 1.00 10.00 C ATOM 539 C PHE A 36 -9.565 -6.424 0.986 1.00 10.00 C ATOM 540 O PHE A 36 -9.378 -7.622 1.182 1.00 10.00 O ATOM 541 CB PHE A 36 -8.699 -6.297 -1.394 1.00 10.00 C ATOM 542 CG PHE A 36 -7.868 -5.568 -2.440 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.469 -5.638 -2.380 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.472 -4.820 -3.469 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.677 -4.876 -3.244 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.674 -4.088 -4.372 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.276 -4.079 -4.231 1.00 10.00 C ATOM 0 H PHE A 36 -6.709 -6.338 0.077 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.035 -4.646 -0.102 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.345 -7.325 -1.322 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.733 -6.339 -1.737 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.998 -6.288 -1.658 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.548 -4.807 -3.567 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.601 -4.901 -3.151 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.138 -3.533 -5.174 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.668 -3.464 -4.877 1.00 10.00 H new ATOM 557 N GLY A 37 -10.526 -5.724 1.592 1.00 10.00 N ATOM 558 CA GLY A 37 -11.490 -6.310 2.515 1.00 10.00 C ATOM 559 C GLY A 37 -11.204 -5.952 3.972 1.00 10.00 C ATOM 560 O GLY A 37 -11.717 -6.611 4.874 1.00 10.00 O ATOM 0 H GLY A 37 -10.655 -4.722 1.451 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.492 -5.970 2.252 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.481 -7.394 2.403 1.00 10.00 H new ATOM 564 N ARG A 38 -10.428 -4.894 4.222 1.00 10.00 N ATOM 565 CA ARG A 38 -10.194 -4.378 5.559 1.00 10.00 C ATOM 566 C ARG A 38 -9.963 -2.874 5.432 1.00 10.00 C ATOM 567 O ARG A 38 -9.449 -2.410 4.415 1.00 10.00 O ATOM 568 CB ARG A 38 -9.025 -5.152 6.188 1.00 10.00 C ATOM 569 CG ARG A 38 -8.798 -4.840 7.671 1.00 10.00 C ATOM 570 CD ARG A 38 -7.959 -5.950 8.330 1.00 10.00 C ATOM 571 NE ARG A 38 -8.794 -6.860 9.136 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.326 -7.750 10.028 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.007 -7.917 10.172 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.176 -8.467 10.774 1.00 10.00 N ATOM 0 H ARG A 38 -9.944 -4.372 3.491 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.041 -4.520 6.230 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.208 -6.221 6.076 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.113 -4.925 5.636 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.290 -3.881 7.774 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.757 -4.749 8.181 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.440 -6.520 7.559 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.195 -5.501 8.964 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.805 -6.810 9.007 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.359 -7.370 9.606 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.649 -8.592 10.848 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.182 -8.339 10.666 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.817 -9.141 11.450 1.00 10.00 H new ATOM 588 N LYS A 39 -10.430 -2.105 6.419 1.00 10.00 N ATOM 589 CA LYS A 39 -10.204 -0.670 6.450 1.00 10.00 C ATOM 590 C LYS A 39 -8.766 -0.378 6.890 1.00 10.00 C ATOM 591 O LYS A 39 -7.996 -1.280 7.211 1.00 10.00 O ATOM 592 CB LYS A 39 -11.231 0.012 7.370 1.00 10.00 C ATOM 593 CG LYS A 39 -12.614 0.141 6.714 1.00 10.00 C ATOM 594 CD LYS A 39 -13.531 1.026 7.581 1.00 10.00 C ATOM 595 CE LYS A 39 -14.705 0.258 8.205 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.827 0.077 7.260 1.00 10.00 N ATOM 0 H LYS A 39 -10.969 -2.461 7.208 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.338 -0.260 5.449 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.322 -0.559 8.294 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.868 1.003 7.643 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.514 0.573 5.718 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.060 -0.846 6.590 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.940 1.480 8.376 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.922 1.840 6.970 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.358 -0.718 8.544 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.059 0.794 9.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -16.594 -0.446 7.728 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -16.178 1.007 6.956 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.499 -0.458 6.430 1.00 10.00 H new ATOM 610 N THR A 40 -8.425 0.905 6.909 1.00 10.00 N ATOM 611 CA THR A 40 -7.163 1.445 7.354 1.00 10.00 C ATOM 612 C THR A 40 -6.972 1.227 8.852 1.00 10.00 C ATOM 613 O THR A 40 -7.894 0.834 9.565 1.00 10.00 O ATOM 614 CB THR A 40 -7.219 2.943 7.058 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.437 3.465 7.559 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.203 3.219 5.564 1.00 10.00 C ATOM 0 H THR A 40 -9.066 1.633 6.594 1.00 10.00 H new ATOM 0 HA THR A 40 -6.332 0.955 6.847 1.00 10.00 H new ATOM 0 HB THR A 40 -6.349 3.404 7.525 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.363 3.596 8.527 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.244 4.295 5.392 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.288 2.817 5.129 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.066 2.744 5.097 1.00 10.00 H new ATOM 624 N GLY A 41 -5.777 1.569 9.326 1.00 10.00 N ATOM 625 CA GLY A 41 -5.342 1.390 10.703 1.00 10.00 C ATOM 626 C GLY A 41 -5.688 0.001 11.228 1.00 10.00 C ATOM 627 O GLY A 41 -6.188 -0.125 12.344 1.00 10.00 O ATOM 0 H GLY A 41 -5.060 1.994 8.738 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.265 1.545 10.767 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -5.811 2.145 11.334 1.00 10.00 H new ATOM 631 N GLN A 42 -5.435 -1.029 10.415 1.00 10.00 N ATOM 632 CA GLN A 42 -5.722 -2.416 10.738 1.00 10.00 C ATOM 633 C GLN A 42 -4.737 -3.322 10.000 1.00 10.00 C ATOM 634 O GLN A 42 -5.014 -3.765 8.888 1.00 10.00 O ATOM 635 CB GLN A 42 -7.173 -2.775 10.378 1.00 10.00 C ATOM 636 CG GLN A 42 -8.260 -2.212 11.303 1.00 10.00 C ATOM 637 CD GLN A 42 -8.231 -2.827 12.709 1.00 10.00 C ATOM 638 OE1 GLN A 42 -7.274 -3.484 13.117 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.308 -2.665 13.469 1.00 10.00 N ATOM 0 H GLN A 42 -5.015 -0.911 9.493 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.606 -2.563 11.812 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.371 -2.426 9.365 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.264 -3.861 10.364 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.137 -1.132 11.383 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.238 -2.390 10.855 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.098 -2.119 13.125 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.345 -3.086 14.397 1.00 10.00 H new ATOM 648 N ALA A 43 -3.596 -3.612 10.630 1.00 10.00 N ATOM 649 CA ALA A 43 -2.545 -4.464 10.092 1.00 10.00 C ATOM 650 C ALA A 43 -2.138 -5.482 11.160 1.00 10.00 C ATOM 651 O ALA A 43 -2.223 -5.172 12.349 1.00 10.00 O ATOM 652 CB ALA A 43 -1.352 -3.592 9.714 1.00 10.00 C ATOM 0 H ALA A 43 -3.376 -3.247 11.557 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.897 -4.995 9.207 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.557 -4.218 9.309 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.657 -2.863 8.963 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -0.988 -3.070 10.599 1.00 10.00 H new ATOM 658 N PRO A 44 -1.711 -6.692 10.766 1.00 10.00 N ATOM 659 CA PRO A 44 -1.387 -7.744 11.710 1.00 10.00 C ATOM 660 C PRO A 44 -0.082 -7.428 12.447 1.00 10.00 C ATOM 661 O PRO A 44 0.946 -7.208 11.812 1.00 10.00 O ATOM 662 CB PRO A 44 -1.296 -9.027 10.877 1.00 10.00 C ATOM 663 CG PRO A 44 -0.916 -8.534 9.479 1.00 10.00 C ATOM 664 CD PRO A 44 -1.559 -7.150 9.393 1.00 10.00 C ATOM 0 HA PRO A 44 -2.140 -7.847 12.491 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.547 -9.710 11.277 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.244 -9.564 10.867 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.165 -8.481 9.354 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.294 -9.200 8.703 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.934 -6.465 8.820 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.524 -7.199 8.889 1.00 10.00 H new ATOM 672 N GLY A 45 -0.136 -7.414 13.786 1.00 10.00 N ATOM 673 CA GLY A 45 1.010 -7.248 14.675 1.00 10.00 C ATOM 674 C GLY A 45 1.953 -6.128 14.240 1.00 10.00 C ATOM 675 O GLY A 45 3.162 -6.330 14.148 1.00 10.00 O ATOM 0 H GLY A 45 -1.014 -7.522 14.293 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.652 -7.041 15.684 1.00 10.00 H new ATOM 0 HA3 GLY A 45 1.565 -8.185 14.720 1.00 10.00 H new ATOM 679 N PHE A 46 1.384 -4.948 13.979 1.00 10.00 N ATOM 680 CA PHE A 46 2.104 -3.810 13.416 1.00 10.00 C ATOM 681 C PHE A 46 1.779 -2.504 14.171 1.00 10.00 C ATOM 682 O PHE A 46 2.221 -1.434 13.770 1.00 10.00 O ATOM 683 CB PHE A 46 1.732 -3.735 11.925 1.00 10.00 C ATOM 684 CG PHE A 46 2.239 -2.521 11.168 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.609 -2.396 10.872 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.369 -1.442 10.909 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.108 -1.190 10.351 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.863 -0.249 10.359 1.00 10.00 C ATOM 689 CZ PHE A 46 3.238 -0.113 10.107 1.00 10.00 C ATOM 0 H PHE A 46 0.398 -4.757 14.156 1.00 10.00 H new ATOM 0 HA PHE A 46 3.181 -3.941 13.523 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.112 -4.630 11.432 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.646 -3.762 11.841 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.277 -3.227 11.045 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.317 -1.534 11.135 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.162 -1.090 10.138 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.188 0.562 10.130 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.627 0.819 9.726 1.00 10.00 H new ATOM 699 N THR A 47 1.001 -2.569 15.260 1.00 10.00 N ATOM 700 CA THR A 47 0.343 -1.403 15.856 1.00 10.00 C ATOM 701 C THR A 47 -0.385 -0.567 14.786 1.00 10.00 C ATOM 702 O THR A 47 -0.743 -1.092 13.729 1.00 10.00 O ATOM 703 CB THR A 47 1.282 -0.606 16.796 1.00 10.00 C ATOM 704 OG1 THR A 47 0.523 0.340 17.526 1.00 10.00 O ATOM 705 CG2 THR A 47 2.444 0.140 16.127 1.00 10.00 C ATOM 0 H THR A 47 0.810 -3.440 15.755 1.00 10.00 H new ATOM 0 HA THR A 47 -0.443 -1.756 16.523 1.00 10.00 H new ATOM 0 HB THR A 47 1.741 -1.369 17.424 1.00 10.00 H new ATOM 0 HG1 THR A 47 1.115 0.844 18.123 1.00 10.00 H new ATOM 0 HG21 THR A 47 3.029 0.659 16.887 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.081 -0.573 15.603 1.00 10.00 H new ATOM 0 HG23 THR A 47 2.049 0.865 15.415 1.00 10.00 H new ATOM 713 N TYR A 48 -0.643 0.711 15.076 1.00 10.00 N ATOM 714 CA TYR A 48 -1.326 1.656 14.204 1.00 10.00 C ATOM 715 C TYR A 48 -0.588 2.991 14.264 1.00 10.00 C ATOM 716 O TYR A 48 -0.194 3.424 15.345 1.00 10.00 O ATOM 717 CB TYR A 48 -2.775 1.848 14.686 1.00 10.00 C ATOM 718 CG TYR A 48 -3.570 0.573 14.908 1.00 10.00 C ATOM 719 CD1 TYR A 48 -3.613 -0.410 13.905 1.00 10.00 C ATOM 720 CD2 TYR A 48 -4.222 0.340 16.136 1.00 10.00 C ATOM 721 CE1 TYR A 48 -4.273 -1.627 14.142 1.00 10.00 C ATOM 722 CE2 TYR A 48 -4.977 -0.832 16.323 1.00 10.00 C ATOM 723 CZ TYR A 48 -5.042 -1.794 15.301 1.00 10.00 C ATOM 724 OH TYR A 48 -5.869 -2.870 15.427 1.00 10.00 O ATOM 0 H TYR A 48 -0.367 1.128 15.965 1.00 10.00 H new ATOM 0 HA TYR A 48 -1.338 1.279 13.181 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -2.756 2.410 15.620 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -3.303 2.461 13.956 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -3.139 -0.230 12.952 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -4.142 1.063 16.935 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.188 -2.435 13.430 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -5.506 -0.992 17.251 1.00 10.00 H new ATOM 0 HH TYR A 48 -6.344 -3.018 14.583 1.00 10.00 H new ATOM 734 N THR A 49 -0.419 3.639 13.111 1.00 10.00 N ATOM 735 CA THR A 49 0.269 4.914 12.977 1.00 10.00 C ATOM 736 C THR A 49 -0.755 6.051 12.909 1.00 10.00 C ATOM 737 O THR A 49 -1.796 5.910 12.249 1.00 10.00 O ATOM 738 CB THR A 49 1.143 4.860 11.716 1.00 10.00 C ATOM 739 OG1 THR A 49 1.957 3.705 11.772 1.00 10.00 O ATOM 740 CG2 THR A 49 2.034 6.097 11.570 1.00 10.00 C ATOM 0 H THR A 49 -0.768 3.278 12.223 1.00 10.00 H new ATOM 0 HA THR A 49 0.907 5.103 13.840 1.00 10.00 H new ATOM 0 HB THR A 49 0.479 4.830 10.852 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.518 3.661 10.970 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.632 6.010 10.663 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.411 6.989 11.509 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.694 6.174 12.434 1.00 10.00 H new ATOM 748 N ASP A 50 -0.447 7.176 13.570 1.00 10.00 N ATOM 749 CA ASP A 50 -1.256 8.393 13.621 1.00 10.00 C ATOM 750 C ASP A 50 -1.295 9.076 12.252 1.00 10.00 C ATOM 751 O ASP A 50 -0.718 10.139 12.039 1.00 10.00 O ATOM 752 CB ASP A 50 -0.724 9.339 14.711 1.00 10.00 C ATOM 753 CG ASP A 50 -1.250 8.978 16.092 1.00 10.00 C ATOM 754 OD1 ASP A 50 -2.493 8.958 16.234 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.403 8.724 16.974 1.00 10.00 O ATOM 0 H ASP A 50 0.415 7.262 14.108 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.280 8.125 13.880 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.365 9.305 14.719 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.010 10.363 14.472 1.00 10.00 H new ATOM 760 N ALA A 51 -1.992 8.434 11.316 1.00 10.00 N ATOM 761 CA ALA A 51 -2.106 8.830 9.922 1.00 10.00 C ATOM 762 C ALA A 51 -2.881 7.769 9.158 1.00 10.00 C ATOM 763 O ALA A 51 -3.735 8.076 8.321 1.00 10.00 O ATOM 764 CB ALA A 51 -0.722 9.001 9.290 1.00 10.00 C ATOM 0 H ALA A 51 -2.516 7.584 11.524 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.631 9.784 9.874 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.832 9.297 8.247 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.168 9.770 9.829 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.179 8.058 9.343 1.00 10.00 H new ATOM 770 N ASN A 52 -2.576 6.498 9.415 1.00 10.00 N ATOM 771 CA ASN A 52 -3.338 5.445 8.782 1.00 10.00 C ATOM 772 C ASN A 52 -4.671 5.296 9.494 1.00 10.00 C ATOM 773 O ASN A 52 -5.723 5.342 8.863 1.00 10.00 O ATOM 774 CB ASN A 52 -2.558 4.137 8.700 1.00 10.00 C ATOM 775 CG ASN A 52 -3.158 3.253 7.614 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.615 3.751 6.585 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.192 1.952 7.847 1.00 10.00 N ATOM 0 H ASN A 52 -1.830 6.187 10.038 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.533 5.721 7.746 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.510 4.340 8.480 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.589 3.622 9.660 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.608 1.322 7.161 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.802 1.579 8.712 1.00 10.00 H new ATOM 784 N LYS A 53 -4.642 5.198 10.824 1.00 10.00 N ATOM 785 CA LYS A 53 -5.875 5.061 11.589 1.00 10.00 C ATOM 786 C LYS A 53 -6.766 6.288 11.408 1.00 10.00 C ATOM 787 O LYS A 53 -7.987 6.174 11.361 1.00 10.00 O ATOM 788 CB LYS A 53 -5.563 4.834 13.071 1.00 10.00 C ATOM 789 CG LYS A 53 -6.636 3.943 13.718 1.00 10.00 C ATOM 790 CD LYS A 53 -6.730 4.212 15.223 1.00 10.00 C ATOM 791 CE LYS A 53 -7.638 5.426 15.481 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.488 5.956 16.852 1.00 10.00 N ATOM 0 H LYS A 53 -3.790 5.211 11.384 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.416 4.192 11.213 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.584 4.367 13.175 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.516 5.792 13.590 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.602 4.131 13.249 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.396 2.894 13.546 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.127 3.335 15.734 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.736 4.397 15.631 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.404 6.211 14.762 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.677 5.142 15.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.119 6.773 16.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -7.736 5.216 17.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -6.503 6.253 17.004 1.00 10.00 H new ATOM 806 N ASN A 54 -6.140 7.463 11.300 1.00 10.00 N ATOM 807 CA ASN A 54 -6.847 8.718 11.092 1.00 10.00 C ATOM 808 C ASN A 54 -7.518 8.774 9.718 1.00 10.00 C ATOM 809 O ASN A 54 -8.364 9.632 9.490 1.00 10.00 O ATOM 810 CB ASN A 54 -5.877 9.896 11.270 1.00 10.00 C ATOM 811 CG ASN A 54 -6.600 11.126 11.806 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.818 12.099 11.095 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.955 11.092 13.089 1.00 10.00 N ATOM 0 H ASN A 54 -5.127 7.565 11.355 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.639 8.787 11.838 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.078 9.613 11.955 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.409 10.133 10.315 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.425 11.894 13.510 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.757 10.264 13.651 1.00 10.00 H new ATOM 820 N LYS A 55 -7.135 7.883 8.794 1.00 10.00 N ATOM 821 CA LYS A 55 -7.672 7.877 7.447 1.00 10.00 C ATOM 822 C LYS A 55 -9.110 7.372 7.474 1.00 10.00 C ATOM 823 O LYS A 55 -10.026 8.066 7.045 1.00 10.00 O ATOM 824 CB LYS A 55 -6.762 7.020 6.567 1.00 10.00 C ATOM 825 CG LYS A 55 -6.788 7.502 5.116 1.00 10.00 C ATOM 826 CD LYS A 55 -5.665 6.835 4.315 1.00 10.00 C ATOM 827 CE LYS A 55 -4.322 7.577 4.430 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.559 7.296 5.668 1.00 10.00 N ATOM 0 H LYS A 55 -6.445 7.152 8.969 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.697 8.882 7.027 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.741 7.058 6.948 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.081 5.979 6.614 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.753 7.270 4.666 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.674 8.585 5.083 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.538 5.810 4.662 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.956 6.783 3.266 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.704 7.314 3.572 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.510 8.649 4.371 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.563 7.561 5.530 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.958 7.847 6.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.619 6.282 5.890 1.00 10.00 H new ATOM 842 N GLY A 56 -9.299 6.153 7.983 1.00 10.00 N ATOM 843 CA GLY A 56 -10.614 5.561 8.138 1.00 10.00 C ATOM 844 C GLY A 56 -11.272 5.324 6.782 1.00 10.00 C ATOM 845 O GLY A 56 -12.426 5.699 6.582 1.00 10.00 O ATOM 0 H GLY A 56 -8.537 5.553 8.298 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.530 4.616 8.675 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.242 6.216 8.741 1.00 10.00 H new ATOM 849 N ILE A 57 -10.546 4.683 5.860 1.00 10.00 N ATOM 850 CA ILE A 57 -11.047 4.363 4.524 1.00 10.00 C ATOM 851 C ILE A 57 -10.792 2.894 4.204 1.00 10.00 C ATOM 852 O ILE A 57 -10.246 2.158 5.027 1.00 10.00 O ATOM 853 CB ILE A 57 -10.495 5.326 3.445 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.010 5.100 3.122 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.767 6.782 3.836 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.504 5.918 1.933 1.00 10.00 C ATOM 0 H ILE A 57 -9.589 4.371 6.023 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.126 4.515 4.516 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.032 5.101 2.524 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.415 5.348 4.001 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.850 4.042 2.917 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.372 7.445 3.066 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.841 6.938 3.933 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.281 7.000 4.787 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.448 5.704 1.767 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.072 5.653 1.041 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.631 6.980 2.142 1.00 10.00 H new ATOM 868 N THR A 58 -11.228 2.478 3.015 1.00 10.00 N ATOM 869 CA THR A 58 -11.071 1.147 2.464 1.00 10.00 C ATOM 870 C THR A 58 -9.818 1.106 1.590 1.00 10.00 C ATOM 871 O THR A 58 -9.202 2.138 1.329 1.00 10.00 O ATOM 872 CB THR A 58 -12.325 0.866 1.624 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.556 1.947 0.738 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.556 0.720 2.523 1.00 10.00 C ATOM 0 H THR A 58 -11.727 3.102 2.381 1.00 10.00 H new ATOM 0 HA THR A 58 -10.960 0.396 3.246 1.00 10.00 H new ATOM 0 HB THR A 58 -12.162 -0.059 1.071 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.356 1.765 0.202 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.434 0.521 1.908 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.404 -0.107 3.217 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.708 1.642 3.085 1.00 10.00 H new ATOM 882 N TRP A 59 -9.489 -0.077 1.074 1.00 10.00 N ATOM 883 CA TRP A 59 -8.417 -0.246 0.116 1.00 10.00 C ATOM 884 C TRP A 59 -8.894 -1.153 -1.010 1.00 10.00 C ATOM 885 O TRP A 59 -8.936 -2.366 -0.840 1.00 10.00 O ATOM 886 CB TRP A 59 -7.195 -0.792 0.836 1.00 10.00 C ATOM 887 CG TRP A 59 -6.624 0.105 1.887 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.662 -0.109 3.222 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.906 1.359 1.696 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.888 0.851 3.849 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.450 1.815 2.965 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.562 2.141 0.572 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.688 2.985 3.111 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.867 3.355 0.717 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.446 3.787 1.987 1.00 10.00 C ATOM 0 H TRP A 59 -9.966 -0.946 1.315 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.133 0.706 -0.334 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.459 -1.744 1.297 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.420 -1.000 0.098 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.207 -0.899 3.717 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.668 0.847 4.845 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.837 1.801 -0.416 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.293 3.264 4.077 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.655 3.959 -0.153 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.938 4.734 2.096 1.00 10.00 H new ATOM 906 N LYS A 60 -9.302 -0.571 -2.142 1.00 10.00 N ATOM 907 CA LYS A 60 -9.819 -1.349 -3.262 1.00 10.00 C ATOM 908 C LYS A 60 -9.517 -0.680 -4.600 1.00 10.00 C ATOM 909 O LYS A 60 -10.430 -0.293 -5.324 1.00 10.00 O ATOM 910 CB LYS A 60 -11.313 -1.643 -3.078 1.00 10.00 C ATOM 911 CG LYS A 60 -12.166 -0.369 -2.943 1.00 10.00 C ATOM 912 CD LYS A 60 -13.335 -0.363 -3.944 1.00 10.00 C ATOM 913 CE LYS A 60 -14.572 0.318 -3.350 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.262 -0.573 -2.395 1.00 10.00 N ATOM 0 H LYS A 60 -9.283 0.436 -2.303 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.301 -2.308 -3.276 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.670 -2.224 -3.928 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.449 -2.260 -2.190 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.555 -0.297 -1.927 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.540 0.508 -3.108 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.034 0.155 -4.855 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.581 -1.387 -4.226 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.277 1.238 -2.846 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -15.257 0.598 -4.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -16.133 -0.114 -2.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.502 -1.468 -2.867 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.637 -0.765 -1.586 1.00 10.00 H new ATOM 928 N GLU A 61 -8.228 -0.546 -4.914 1.00 10.00 N ATOM 929 CA GLU A 61 -7.744 0.191 -6.072 1.00 10.00 C ATOM 930 C GLU A 61 -8.090 1.676 -5.967 1.00 10.00 C ATOM 931 O GLU A 61 -7.172 2.445 -5.735 1.00 10.00 O ATOM 932 CB GLU A 61 -8.101 -0.496 -7.398 1.00 10.00 C ATOM 933 CG GLU A 61 -7.832 0.362 -8.648 1.00 10.00 C ATOM 934 CD GLU A 61 -9.113 0.653 -9.405 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.478 -0.205 -10.237 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.709 1.705 -9.104 1.00 10.00 O ATOM 0 H GLU A 61 -7.479 -0.957 -4.356 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.654 0.166 -6.073 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.533 -1.423 -7.478 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -9.156 -0.770 -7.380 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -7.361 1.300 -8.353 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -7.130 -0.155 -9.302 1.00 10.00 H new ATOM 943 N GLU A 62 -9.355 2.083 -6.081 1.00 10.00 N ATOM 944 CA GLU A 62 -9.816 3.474 -6.052 1.00 10.00 C ATOM 945 C GLU A 62 -8.972 4.370 -5.135 1.00 10.00 C ATOM 946 O GLU A 62 -8.419 5.386 -5.546 1.00 10.00 O ATOM 947 CB GLU A 62 -11.271 3.477 -5.553 1.00 10.00 C ATOM 948 CG GLU A 62 -12.253 2.833 -6.542 1.00 10.00 C ATOM 949 CD GLU A 62 -13.102 3.890 -7.235 1.00 10.00 C ATOM 950 OE1 GLU A 62 -12.660 4.394 -8.288 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.173 4.194 -6.666 1.00 10.00 O ATOM 0 H GLU A 62 -10.122 1.422 -6.202 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.725 3.880 -7.060 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.323 2.946 -4.602 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.580 4.505 -5.362 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.701 2.259 -7.287 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.899 2.132 -6.014 1.00 10.00 H new ATOM 958 N THR A 63 -8.875 3.982 -3.867 1.00 10.00 N ATOM 959 CA THR A 63 -8.129 4.701 -2.856 1.00 10.00 C ATOM 960 C THR A 63 -6.621 4.619 -3.126 1.00 10.00 C ATOM 961 O THR A 63 -5.927 5.633 -3.082 1.00 10.00 O ATOM 962 CB THR A 63 -8.521 4.078 -1.515 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.489 2.670 -1.660 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.947 4.484 -1.128 1.00 10.00 C ATOM 0 H THR A 63 -9.326 3.139 -3.512 1.00 10.00 H new ATOM 0 HA THR A 63 -8.364 5.765 -2.858 1.00 10.00 H new ATOM 0 HB THR A 63 -7.830 4.420 -0.745 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.325 2.287 -1.321 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.207 4.031 -0.171 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.006 5.569 -1.044 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.643 4.141 -1.893 1.00 10.00 H new ATOM 972 N LEU A 64 -6.104 3.417 -3.416 1.00 10.00 N ATOM 973 CA LEU A 64 -4.704 3.222 -3.782 1.00 10.00 C ATOM 974 C LEU A 64 -4.306 4.144 -4.936 1.00 10.00 C ATOM 975 O LEU A 64 -3.261 4.781 -4.864 1.00 10.00 O ATOM 976 CB LEU A 64 -4.384 1.770 -4.168 1.00 10.00 C ATOM 977 CG LEU A 64 -4.112 0.817 -2.995 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.252 -0.185 -2.801 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.820 0.046 -3.294 1.00 10.00 C ATOM 0 H LEU A 64 -6.649 2.555 -3.402 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.126 3.468 -2.892 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.218 1.375 -4.748 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.512 1.770 -4.822 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.024 1.406 -2.082 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -5.021 -0.841 -1.962 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.178 0.352 -2.597 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.370 -0.781 -3.706 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.606 -0.638 -2.473 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.940 -0.521 -4.217 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.994 0.749 -3.405 1.00 10.00 H new ATOM 991 N MET A 65 -5.108 4.212 -6.000 1.00 10.00 N ATOM 992 CA MET A 65 -4.872 5.071 -7.140 1.00 10.00 C ATOM 993 C MET A 65 -4.505 6.490 -6.711 1.00 10.00 C ATOM 994 O MET A 65 -3.611 7.067 -7.325 1.00 10.00 O ATOM 995 CB MET A 65 -6.091 5.057 -8.079 1.00 10.00 C ATOM 996 CG MET A 65 -5.972 3.995 -9.179 1.00 10.00 C ATOM 997 SD MET A 65 -6.338 4.545 -10.868 1.00 10.00 S ATOM 998 CE MET A 65 -8.068 5.032 -10.684 1.00 10.00 C ATOM 0 H MET A 65 -5.958 3.654 -6.086 1.00 10.00 H new ATOM 0 HA MET A 65 -4.016 4.680 -7.689 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.993 4.872 -7.496 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.204 6.039 -8.537 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.958 3.596 -9.161 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.643 3.172 -8.934 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.447 5.396 -11.639 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.656 4.172 -10.364 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.146 5.822 -9.937 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.131 7.022 -5.654 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.817 8.348 -5.150 1.00 10.00 C ATOM 1010 C GLU A 66 -3.623 8.243 -4.208 1.00 10.00 C ATOM 1011 O GLU A 66 -2.598 8.882 -4.421 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.055 8.936 -4.458 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.984 9.606 -5.477 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.560 11.053 -5.704 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -6.913 11.887 -4.842 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -5.843 11.295 -6.698 1.00 10.00 O ATOM 0 H GLU A 66 -5.864 6.542 -5.132 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.548 9.022 -5.963 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.593 8.146 -3.933 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.746 9.664 -3.708 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.957 9.059 -6.420 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -8.013 9.573 -5.119 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.743 7.417 -3.169 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.764 7.290 -2.097 1.00 10.00 C ATOM 1025 C TYR A 67 -1.354 7.099 -2.659 1.00 10.00 C ATOM 1026 O TYR A 67 -0.419 7.816 -2.303 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.205 6.122 -1.212 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.362 5.880 0.030 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.272 6.850 1.049 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.691 4.653 0.184 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.507 6.597 2.206 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.956 4.394 1.350 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.874 5.354 2.371 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.075 5.107 3.451 1.00 10.00 O ATOM 0 H TYR A 67 -4.548 6.802 -3.049 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.720 8.201 -1.500 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.235 6.295 -0.901 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.202 5.213 -1.814 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.791 7.791 0.943 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.742 3.909 -0.597 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.408 7.359 2.965 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.448 3.447 1.463 1.00 10.00 H new ATOM 0 HH TYR A 67 0.276 4.194 3.396 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.217 6.152 -3.583 1.00 10.00 N ATOM 1045 CA LEU A 68 0.036 5.825 -4.235 1.00 10.00 C ATOM 1046 C LEU A 68 0.523 6.935 -5.176 1.00 10.00 C ATOM 1047 O LEU A 68 1.705 6.951 -5.510 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.120 4.516 -5.019 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.466 3.261 -4.211 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.423 2.059 -5.168 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.493 3.054 -3.041 1.00 10.00 C ATOM 0 H LEU A 68 -1.998 5.579 -3.903 1.00 10.00 H new ATOM 0 HA LEU A 68 0.788 5.714 -3.453 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.897 4.661 -5.770 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.810 4.329 -5.555 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.460 3.372 -3.778 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.666 1.149 -4.620 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.148 2.205 -5.968 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.576 1.970 -5.595 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.212 2.154 -2.495 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.510 2.947 -3.419 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.443 3.914 -2.373 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.357 7.815 -5.669 1.00 10.00 N ATOM 1064 CA GLU A 69 0.026 8.995 -6.450 1.00 10.00 C ATOM 1065 C GLU A 69 0.091 10.240 -5.555 1.00 10.00 C ATOM 1066 O GLU A 69 0.231 11.352 -6.058 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.937 9.191 -7.644 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.324 8.846 -9.017 1.00 10.00 C ATOM 1069 CD GLU A 69 0.702 9.885 -9.451 1.00 10.00 C ATOM 1070 OE1 GLU A 69 0.283 11.033 -9.703 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.882 9.487 -9.538 1.00 10.00 O ATOM 0 H GLU A 69 -1.364 7.726 -5.535 1.00 10.00 H new ATOM 0 HA GLU A 69 1.024 8.837 -6.858 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.821 8.573 -7.488 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.272 10.228 -7.659 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.149 7.865 -8.969 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.116 8.782 -9.764 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.017 10.099 -4.227 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.089 11.274 -3.372 1.00 10.00 C ATOM 1080 C ASN A 70 0.148 10.924 -1.896 1.00 10.00 C ATOM 1081 O ASN A 70 -0.672 11.239 -1.030 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.436 11.985 -3.648 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.267 13.370 -4.273 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.310 14.093 -3.989 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.217 13.768 -5.115 1.00 10.00 N ATOM 0 H ASN A 70 -0.055 9.204 -3.738 1.00 10.00 H new ATOM 0 HA ASN A 70 0.716 11.970 -3.608 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.038 11.365 -4.312 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.988 12.080 -2.713 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.164 14.692 -5.543 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.998 13.149 -5.332 1.00 10.00 H new ATOM 1092 N PRO A 71 1.312 10.342 -1.549 1.00 10.00 N ATOM 1093 CA PRO A 71 1.556 9.834 -0.204 1.00 10.00 C ATOM 1094 C PRO A 71 2.028 10.911 0.782 1.00 10.00 C ATOM 1095 O PRO A 71 2.612 10.594 1.822 1.00 10.00 O ATOM 1096 CB PRO A 71 2.607 8.736 -0.409 1.00 10.00 C ATOM 1097 CG PRO A 71 3.461 9.312 -1.542 1.00 10.00 C ATOM 1098 CD PRO A 71 2.422 9.999 -2.431 1.00 10.00 C ATOM 0 HA PRO A 71 0.640 9.463 0.255 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.193 8.560 0.493 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.153 7.784 -0.685 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.205 10.017 -1.170 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.001 8.532 -2.079 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.837 10.890 -2.902 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.095 9.338 -3.233 1.00 10.00 H new ATOM 1106 N LYS A 72 1.735 12.175 0.468 1.00 10.00 N ATOM 1107 CA LYS A 72 1.916 13.327 1.332 1.00 10.00 C ATOM 1108 C LYS A 72 0.797 14.328 1.035 1.00 10.00 C ATOM 1109 O LYS A 72 1.035 15.526 0.909 1.00 10.00 O ATOM 1110 CB LYS A 72 3.333 13.903 1.170 1.00 10.00 C ATOM 1111 CG LYS A 72 3.905 13.974 -0.260 1.00 10.00 C ATOM 1112 CD LYS A 72 3.136 14.901 -1.211 1.00 10.00 C ATOM 1113 CE LYS A 72 3.981 15.188 -2.464 1.00 10.00 C ATOM 1114 NZ LYS A 72 3.200 15.862 -3.524 1.00 10.00 N ATOM 0 H LYS A 72 1.347 12.427 -0.441 1.00 10.00 H new ATOM 0 HA LYS A 72 1.839 13.051 2.384 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.338 14.910 1.586 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.013 13.304 1.776 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.941 14.309 -0.206 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.916 12.969 -0.683 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.191 14.439 -1.497 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.893 15.835 -0.704 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.832 15.811 -2.191 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.383 14.252 -2.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.810 16.035 -4.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.402 15.257 -3.805 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.838 16.768 -3.165 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.426 13.811 0.867 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.579 14.602 0.456 1.00 10.00 C ATOM 1130 C LYS A 73 -2.826 14.196 1.240 1.00 10.00 C ATOM 1131 O LYS A 73 -3.556 15.064 1.709 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.765 14.476 -1.065 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.218 15.787 -1.728 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.736 15.799 -1.955 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.276 17.235 -1.950 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.745 17.267 -2.108 1.00 10.00 N ATOM 0 H LYS A 73 -0.639 12.824 1.015 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.407 15.654 0.685 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.826 14.154 -1.514 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.500 13.698 -1.272 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.935 16.632 -1.100 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.704 15.912 -2.681 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.970 15.321 -2.906 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.229 15.217 -1.176 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.000 17.724 -1.016 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.811 17.802 -2.757 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.074 18.254 -2.100 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -6.007 16.822 -3.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -6.190 16.748 -1.324 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.063 12.889 1.401 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.114 12.401 2.290 1.00 10.00 C ATOM 1152 C TYR A 74 -3.936 12.961 3.701 1.00 10.00 C ATOM 1153 O TYR A 74 -4.861 13.538 4.264 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.102 10.869 2.356 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.038 10.198 1.379 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.375 9.945 1.744 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.588 9.860 0.094 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.247 9.318 0.838 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.456 9.215 -0.797 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.782 8.937 -0.431 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.605 8.292 -1.303 1.00 10.00 O ATOM 0 H TYR A 74 -2.539 12.154 0.926 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.068 12.739 1.886 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.087 10.517 2.170 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.367 10.558 3.367 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -6.730 10.234 2.722 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.578 10.096 -0.207 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.273 9.129 1.117 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.101 8.929 -1.776 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.531 8.572 -1.146 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.760 12.729 4.287 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.464 13.121 5.654 1.00 10.00 C ATOM 1173 C ILE A 75 -0.942 13.247 5.794 1.00 10.00 C ATOM 1174 O ILE A 75 -0.231 12.279 5.522 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.084 12.100 6.635 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.996 12.588 8.091 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.448 10.710 6.519 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -4.052 13.654 8.409 1.00 10.00 C ATOM 0 H ILE A 75 -1.985 12.260 3.818 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.905 14.087 5.899 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.133 12.015 6.351 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.123 11.741 8.765 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.003 12.996 8.276 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.921 10.033 7.230 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.588 10.329 5.507 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.382 10.778 6.737 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.951 13.968 9.448 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.909 14.514 7.755 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.047 13.239 8.251 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.407 14.416 6.176 1.00 10.00 N ATOM 1191 CA PRO A 76 1.026 14.600 6.335 1.00 10.00 C ATOM 1192 C PRO A 76 1.487 13.994 7.667 1.00 10.00 C ATOM 1193 O PRO A 76 1.902 14.711 8.573 1.00 10.00 O ATOM 1194 CB PRO A 76 1.239 16.115 6.236 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.065 16.699 6.781 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.121 15.667 6.383 1.00 10.00 C ATOM 0 HA PRO A 76 1.622 14.091 5.578 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.099 16.438 6.823 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.419 16.428 5.208 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.023 16.832 7.862 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.278 17.676 6.348 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.875 15.561 7.163 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.642 15.973 5.476 1.00 10.00 H new ATOM 1204 N GLY A 77 1.418 12.663 7.779 1.00 10.00 N ATOM 1205 CA GLY A 77 1.911 11.921 8.939 1.00 10.00 C ATOM 1206 C GLY A 77 2.402 10.526 8.546 1.00 10.00 C ATOM 1207 O GLY A 77 2.409 9.607 9.360 1.00 10.00 O ATOM 0 H GLY A 77 1.013 12.066 7.057 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.724 12.475 9.408 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.117 11.833 9.680 1.00 10.00 H new ATOM 1211 N THR A 78 2.791 10.366 7.281 1.00 10.00 N ATOM 1212 CA THR A 78 3.281 9.140 6.678 1.00 10.00 C ATOM 1213 C THR A 78 4.804 9.239 6.534 1.00 10.00 C ATOM 1214 O THR A 78 5.399 10.255 6.887 1.00 10.00 O ATOM 1215 CB THR A 78 2.567 9.022 5.320 1.00 10.00 C ATOM 1216 OG1 THR A 78 2.554 10.303 4.704 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.126 8.547 5.553 1.00 10.00 C ATOM 0 H THR A 78 2.769 11.139 6.616 1.00 10.00 H new ATOM 0 HA THR A 78 3.076 8.252 7.276 1.00 10.00 H new ATOM 0 HB THR A 78 3.084 8.308 4.678 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.580 10.198 3.730 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.612 8.461 4.596 1.00 10.00 H new ATOM 0 HG22 THR A 78 1.139 7.576 6.047 1.00 10.00 H new ATOM 0 HG23 THR A 78 0.603 9.267 6.182 1.00 10.00 H new ATOM 1225 N LYS A 79 5.448 8.198 5.992 1.00 10.00 N ATOM 1226 CA LYS A 79 6.878 8.266 5.712 1.00 10.00 C ATOM 1227 C LYS A 79 7.126 9.228 4.550 1.00 10.00 C ATOM 1228 O LYS A 79 8.132 9.928 4.547 1.00 10.00 O ATOM 1229 CB LYS A 79 7.503 6.880 5.452 1.00 10.00 C ATOM 1230 CG LYS A 79 6.807 6.014 4.390 1.00 10.00 C ATOM 1231 CD LYS A 79 5.732 5.125 5.032 1.00 10.00 C ATOM 1232 CE LYS A 79 4.536 4.919 4.095 1.00 10.00 C ATOM 1233 NZ LYS A 79 3.333 4.502 4.837 1.00 10.00 N ATOM 0 H LYS A 79 5.005 7.313 5.744 1.00 10.00 H new ATOM 0 HA LYS A 79 7.377 8.648 6.603 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.541 7.022 5.152 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.515 6.327 6.391 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.352 6.653 3.633 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.544 5.392 3.881 1.00 10.00 H new ATOM 0 HD2 LYS A 79 6.165 4.158 5.289 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.392 5.579 5.963 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.330 5.845 3.557 1.00 10.00 H new ATOM 0 HE3 LYS A 79 4.784 4.165 3.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 2.543 4.372 4.173 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 3.522 3.606 5.330 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 3.083 5.234 5.533 1.00 10.00 H new ATOM 1247 N MET A 80 6.192 9.225 3.585 1.00 10.00 N ATOM 1248 CA MET A 80 6.271 9.894 2.296 1.00 10.00 C ATOM 1249 C MET A 80 7.394 9.273 1.455 1.00 10.00 C ATOM 1250 O MET A 80 8.528 9.170 1.911 1.00 10.00 O ATOM 1251 CB MET A 80 6.357 11.418 2.482 1.00 10.00 C ATOM 1252 CG MET A 80 6.613 12.206 1.194 1.00 10.00 C ATOM 1253 SD MET A 80 8.352 12.376 0.719 1.00 10.00 S ATOM 1254 CE MET A 80 8.188 13.517 -0.672 1.00 10.00 C ATOM 0 H MET A 80 5.312 8.722 3.701 1.00 10.00 H new ATOM 0 HA MET A 80 5.357 9.737 1.724 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.426 11.769 2.928 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.154 11.639 3.192 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.077 11.720 0.379 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.186 13.202 1.307 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.174 13.730 -1.086 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.561 13.065 -1.441 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.730 14.445 -0.329 1.00 10.00 H new ATOM 1264 N ILE A 81 7.068 8.796 0.247 1.00 10.00 N ATOM 1265 CA ILE A 81 8.066 8.217 -0.648 1.00 10.00 C ATOM 1266 C ILE A 81 8.153 9.000 -1.958 1.00 10.00 C ATOM 1267 O ILE A 81 7.736 10.156 -2.015 1.00 10.00 O ATOM 1268 CB ILE A 81 7.876 6.688 -0.807 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.664 6.293 -1.672 1.00 10.00 C ATOM 1270 CG2 ILE A 81 7.798 6.005 0.568 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.713 4.807 -2.041 1.00 10.00 C ATOM 0 H ILE A 81 6.120 8.802 -0.129 1.00 10.00 H new ATOM 0 HA ILE A 81 9.051 8.320 -0.192 1.00 10.00 H new ATOM 0 HB ILE A 81 8.757 6.335 -1.344 1.00 10.00 H new ATOM 0 HG12 ILE A 81 5.742 6.507 -1.131 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.649 6.896 -2.580 1.00 10.00 H new ATOM 0 HG21 ILE A 81 7.664 4.932 0.434 1.00 10.00 H new ATOM 0 HG22 ILE A 81 8.720 6.190 1.119 1.00 10.00 H new ATOM 0 HG23 ILE A 81 6.954 6.409 1.127 1.00 10.00 H new ATOM 0 HD11 ILE A 81 5.846 4.555 -2.652 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.624 4.601 -2.602 1.00 10.00 H new ATOM 0 HD13 ILE A 81 6.704 4.206 -1.132 1.00 10.00 H new ATOM 1283 N PHE A 82 8.716 8.372 -2.997 1.00 10.00 N ATOM 1284 CA PHE A 82 8.792 8.914 -4.343 1.00 10.00 C ATOM 1285 C PHE A 82 7.432 9.460 -4.802 1.00 10.00 C ATOM 1286 O PHE A 82 6.389 9.062 -4.284 1.00 10.00 O ATOM 1287 CB PHE A 82 9.341 7.832 -5.293 1.00 10.00 C ATOM 1288 CG PHE A 82 8.616 6.490 -5.274 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.287 6.402 -5.729 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.292 5.312 -4.898 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.623 5.166 -5.766 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.643 4.065 -4.984 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.303 3.995 -5.403 1.00 10.00 C ATOM 0 H PHE A 82 9.140 7.448 -2.914 1.00 10.00 H new ATOM 0 HA PHE A 82 9.477 9.762 -4.356 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.313 8.223 -6.310 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.389 7.659 -5.047 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.773 7.295 -6.053 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.311 5.366 -4.543 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.589 5.117 -6.074 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.176 3.161 -4.728 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.798 3.041 -5.445 1.00 10.00 H new ATOM 1303 N ALA A 83 7.456 10.360 -5.792 1.00 10.00 N ATOM 1304 CA ALA A 83 6.278 11.053 -6.305 1.00 10.00 C ATOM 1305 C ALA A 83 5.098 10.101 -6.517 1.00 10.00 C ATOM 1306 O ALA A 83 4.032 10.280 -5.931 1.00 10.00 O ATOM 1307 CB ALA A 83 6.645 11.767 -7.611 1.00 10.00 C ATOM 0 H ALA A 83 8.317 10.630 -6.267 1.00 10.00 H new ATOM 0 HA ALA A 83 5.958 11.785 -5.563 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.769 12.287 -8.000 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.440 12.488 -7.421 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.987 11.035 -8.342 1.00 10.00 H new ATOM 1313 N GLY A 84 5.315 9.079 -7.344 1.00 10.00 N ATOM 1314 CA GLY A 84 4.359 8.027 -7.609 1.00 10.00 C ATOM 1315 C GLY A 84 5.052 6.970 -8.457 1.00 10.00 C ATOM 1316 O GLY A 84 6.271 7.010 -8.603 1.00 10.00 O ATOM 0 H GLY A 84 6.188 8.965 -7.858 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.000 7.593 -6.676 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.488 8.425 -8.131 1.00 10.00 H new ATOM 1320 N ILE A 85 4.283 6.020 -8.993 1.00 10.00 N ATOM 1321 CA ILE A 85 4.820 4.894 -9.746 1.00 10.00 C ATOM 1322 C ILE A 85 5.428 5.416 -11.045 1.00 10.00 C ATOM 1323 O ILE A 85 6.643 5.560 -11.155 1.00 10.00 O ATOM 1324 CB ILE A 85 3.711 3.830 -9.921 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.603 2.979 -8.668 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.807 2.906 -11.146 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.695 1.925 -8.558 1.00 10.00 C ATOM 0 H ILE A 85 3.266 6.014 -8.914 1.00 10.00 H new ATOM 0 HA ILE A 85 5.630 4.391 -9.218 1.00 10.00 H new ATOM 0 HB ILE A 85 2.817 4.428 -10.100 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.644 3.627 -7.793 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.631 2.487 -8.655 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.968 2.211 -11.144 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.780 3.505 -12.056 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.742 2.346 -11.107 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.558 1.353 -7.640 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.641 1.254 -9.415 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.670 2.412 -8.540 1.00 10.00 H new ATOM 1339 N LYS A 86 4.576 5.672 -12.035 1.00 10.00 N ATOM 1340 CA LYS A 86 4.935 6.246 -13.324 1.00 10.00 C ATOM 1341 C LYS A 86 3.808 7.153 -13.803 1.00 10.00 C ATOM 1342 O LYS A 86 4.041 8.293 -14.192 1.00 10.00 O ATOM 1343 CB LYS A 86 5.202 5.138 -14.356 1.00 10.00 C ATOM 1344 CG LYS A 86 6.211 4.119 -13.822 1.00 10.00 C ATOM 1345 CD LYS A 86 6.857 3.300 -14.945 1.00 10.00 C ATOM 1346 CE LYS A 86 8.385 3.436 -14.942 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.824 4.795 -15.317 1.00 10.00 N ATOM 0 H LYS A 86 3.578 5.477 -11.955 1.00 10.00 H new ATOM 0 HA LYS A 86 5.848 6.830 -13.211 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.268 4.634 -14.603 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.580 5.579 -15.278 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.988 4.639 -13.261 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.711 3.446 -13.125 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.585 2.250 -14.832 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.465 3.629 -15.907 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.768 3.193 -13.951 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.814 2.713 -15.636 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.863 4.841 -15.302 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.482 5.019 -16.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.437 5.484 -14.641 1.00 10.00 H new ATOM 1361 N LYS A 87 2.592 6.604 -13.808 1.00 10.00 N ATOM 1362 CA LYS A 87 1.379 7.221 -14.296 1.00 10.00 C ATOM 1363 C LYS A 87 0.224 6.304 -13.872 1.00 10.00 C ATOM 1364 O LYS A 87 0.235 5.783 -12.759 1.00 10.00 O ATOM 1365 CB LYS A 87 1.495 7.457 -15.811 1.00 10.00 C ATOM 1366 CG LYS A 87 1.926 6.213 -16.599 1.00 10.00 C ATOM 1367 CD LYS A 87 2.125 6.516 -18.090 1.00 10.00 C ATOM 1368 CE LYS A 87 0.895 7.183 -18.723 1.00 10.00 C ATOM 1369 NZ LYS A 87 0.957 7.156 -20.200 1.00 10.00 N ATOM 0 H LYS A 87 2.429 5.663 -13.449 1.00 10.00 H new ATOM 0 HA LYS A 87 1.195 8.209 -13.875 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.533 7.801 -16.191 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.213 8.257 -15.991 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.854 5.823 -16.181 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.173 5.433 -16.485 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.991 7.167 -18.213 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.345 5.589 -18.620 1.00 10.00 H new ATOM 0 HE2 LYS A 87 -0.008 6.673 -18.387 1.00 10.00 H new ATOM 0 HE3 LYS A 87 0.824 8.215 -18.381 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.110 7.615 -20.591 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 1.806 7.664 -20.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 0.999 6.170 -20.528 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.726 6.051 -14.774 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.939 5.291 -14.512 1.00 10.00 C ATOM 1385 C LYS A 88 -1.751 3.827 -14.925 1.00 10.00 C ATOM 1386 O LYS A 88 -2.181 2.922 -14.221 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.129 5.988 -15.199 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.154 5.883 -16.734 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.953 7.043 -17.348 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.077 6.868 -18.870 1.00 10.00 C ATOM 1391 NZ LYS A 88 -4.736 8.023 -19.519 1.00 10.00 N ATOM 0 H LYS A 88 -0.666 6.382 -15.737 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.158 5.268 -13.445 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -4.053 5.564 -14.807 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.120 7.042 -14.923 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.135 5.893 -17.120 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.598 4.933 -17.031 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.945 7.086 -16.899 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -3.461 7.989 -17.124 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -3.084 6.731 -19.299 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.644 5.962 -19.084 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -4.796 7.858 -20.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.694 8.140 -19.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -4.182 8.885 -19.339 1.00 10.00 H new ATOM 1405 N THR A 89 -1.089 3.594 -16.062 1.00 10.00 N ATOM 1406 CA THR A 89 -0.930 2.285 -16.674 1.00 10.00 C ATOM 1407 C THR A 89 -0.283 1.305 -15.694 1.00 10.00 C ATOM 1408 O THR A 89 -0.939 0.386 -15.203 1.00 10.00 O ATOM 1409 CB THR A 89 -0.121 2.479 -17.966 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.768 3.476 -18.742 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.037 1.179 -18.765 1.00 10.00 C ATOM 0 H THR A 89 -0.637 4.339 -16.593 1.00 10.00 H new ATOM 0 HA THR A 89 -1.893 1.842 -16.927 1.00 10.00 H new ATOM 0 HB THR A 89 0.890 2.791 -17.705 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.268 3.619 -19.573 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.616 1.375 -19.667 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.554 0.438 -18.155 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.947 0.800 -19.041 1.00 10.00 H new ATOM 1419 N GLU A 90 0.991 1.529 -15.371 1.00 10.00 N ATOM 1420 CA GLU A 90 1.701 0.698 -14.419 1.00 10.00 C ATOM 1421 C GLU A 90 0.963 0.558 -13.095 1.00 10.00 C ATOM 1422 O GLU A 90 0.905 -0.528 -12.529 1.00 10.00 O ATOM 1423 CB GLU A 90 3.047 1.351 -14.142 1.00 10.00 C ATOM 1424 CG GLU A 90 4.100 0.858 -15.140 1.00 10.00 C ATOM 1425 CD GLU A 90 4.168 1.719 -16.395 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.228 2.526 -16.599 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.192 1.581 -17.096 1.00 10.00 O ATOM 0 H GLU A 90 1.550 2.287 -15.763 1.00 10.00 H new ATOM 0 HA GLU A 90 1.799 -0.298 -14.851 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.953 2.435 -14.210 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.366 1.122 -13.125 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.077 0.849 -14.657 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.875 -0.171 -15.422 1.00 10.00 H new ATOM 1434 N ARG A 91 0.458 1.672 -12.566 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.303 1.666 -11.328 1.00 10.00 C ATOM 1436 C ARG A 91 -1.416 0.612 -11.418 1.00 10.00 C ATOM 1437 O ARG A 91 -1.613 -0.166 -10.485 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.875 3.073 -11.105 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.894 3.171 -9.964 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.267 2.913 -8.591 1.00 10.00 C ATOM 1441 NE ARG A 91 -0.083 3.755 -8.349 1.00 10.00 N ATOM 1442 CZ ARG A 91 -0.080 5.088 -8.177 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -1.224 5.778 -8.215 1.00 10.00 N ATOM 1444 NH2 ARG A 91 1.074 5.708 -7.914 1.00 10.00 N ATOM 0 H ARG A 91 0.567 2.596 -12.984 1.00 10.00 H new ATOM 0 HA ARG A 91 0.332 1.407 -10.481 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -0.052 3.758 -10.900 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.348 3.410 -12.028 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.348 4.162 -9.972 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.695 2.452 -10.134 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.008 3.101 -7.815 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.985 1.863 -8.515 1.00 10.00 H new ATOM 0 HE ARG A 91 0.820 3.282 -8.308 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.107 5.293 -8.375 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -1.214 6.789 -8.084 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.938 5.170 -7.846 1.00 10.00 H new ATOM 0 HH22 ARG A 91 1.091 6.719 -7.781 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.135 0.597 -12.542 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.263 -0.303 -12.757 1.00 10.00 C ATOM 1460 C GLU A 92 -2.769 -1.751 -12.675 1.00 10.00 C ATOM 1461 O GLU A 92 -3.254 -2.543 -11.865 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.954 0.031 -14.095 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.488 -0.048 -14.033 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.007 -1.456 -14.264 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.942 -2.300 -13.345 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.376 -1.745 -15.425 1.00 10.00 O ATOM 0 H GLU A 92 -1.947 1.214 -13.332 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.017 -0.173 -11.981 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.663 1.035 -14.404 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.594 -0.655 -14.861 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.828 0.306 -13.060 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.914 0.620 -14.782 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.750 -2.082 -13.479 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.081 -3.382 -13.425 1.00 10.00 C ATOM 1475 C ASP A 93 -0.764 -3.742 -11.966 1.00 10.00 C ATOM 1476 O ASP A 93 -1.120 -4.816 -11.481 1.00 10.00 O ATOM 1477 CB ASP A 93 0.195 -3.364 -14.288 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.040 -3.468 -15.790 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.223 -3.525 -16.194 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.980 -3.500 -16.512 1.00 10.00 O ATOM 0 H ASP A 93 -1.368 -1.453 -14.185 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.744 -4.146 -13.830 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.740 -2.442 -14.084 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.836 -4.189 -13.978 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.137 -2.811 -11.244 1.00 10.00 N ATOM 1486 CA LEU A 94 0.186 -2.949 -9.829 1.00 10.00 C ATOM 1487 C LEU A 94 -1.031 -3.398 -9.012 1.00 10.00 C ATOM 1488 O LEU A 94 -0.974 -4.435 -8.345 1.00 10.00 O ATOM 1489 CB LEU A 94 0.780 -1.635 -9.294 1.00 10.00 C ATOM 1490 CG LEU A 94 1.977 -1.874 -8.373 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.605 -0.543 -7.987 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.607 -2.627 -7.112 1.00 10.00 C ATOM 0 H LEU A 94 0.166 -1.921 -11.639 1.00 10.00 H new ATOM 0 HA LEU A 94 0.937 -3.732 -9.722 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.088 -1.010 -10.132 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.011 -1.085 -8.752 1.00 10.00 H new ATOM 0 HG LEU A 94 2.684 -2.489 -8.930 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.457 -0.720 -7.331 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.940 -0.025 -8.885 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.868 0.070 -7.468 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.496 -2.767 -6.498 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.865 -2.057 -6.552 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.192 -3.600 -7.377 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.134 -2.639 -9.066 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.389 -3.043 -8.446 1.00 10.00 C ATOM 1506 C ILE A 95 -3.744 -4.475 -8.831 1.00 10.00 C ATOM 1507 O ILE A 95 -4.160 -5.254 -7.976 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.534 -2.076 -8.813 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.629 -0.960 -7.765 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.886 -2.809 -8.934 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.481 0.044 -7.764 1.00 10.00 C ATOM 0 H ILE A 95 -2.175 -1.736 -9.538 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.255 -3.001 -7.365 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.307 -1.643 -9.787 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.562 -0.418 -7.921 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.688 -1.418 -6.778 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.666 -2.093 -9.193 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.819 -3.570 -9.711 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.130 -3.282 -7.983 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.649 0.788 -6.985 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.543 -0.476 -7.572 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.430 0.539 -8.734 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.662 -4.797 -10.123 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.109 -6.083 -10.626 1.00 10.00 C ATOM 1525 C ALA A 96 -3.417 -7.211 -9.878 1.00 10.00 C ATOM 1526 O ALA A 96 -4.075 -8.130 -9.393 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.846 -6.192 -12.119 1.00 10.00 C ATOM 0 H ALA A 96 -3.286 -4.175 -10.839 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.183 -6.166 -10.461 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.187 -7.163 -12.479 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.384 -5.401 -12.642 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.777 -6.090 -12.309 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.091 -7.117 -9.759 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.357 -8.041 -8.916 1.00 10.00 C ATOM 1535 C TYR A 97 -1.909 -8.001 -7.504 1.00 10.00 C ATOM 1536 O TYR A 97 -2.391 -9.017 -7.010 1.00 10.00 O ATOM 1537 CB TYR A 97 0.126 -7.704 -8.899 1.00 10.00 C ATOM 1538 CG TYR A 97 0.923 -8.464 -7.862 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.967 -9.870 -7.903 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.656 -7.767 -6.884 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.790 -10.572 -7.009 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.507 -8.470 -6.016 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.581 -9.871 -6.085 1.00 10.00 C ATOM 1544 OH TYR A 97 3.472 -10.553 -5.314 1.00 10.00 O ATOM 0 H TYR A 97 -1.517 -6.418 -10.231 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.476 -9.044 -9.325 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.545 -7.908 -9.884 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.242 -6.635 -8.719 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.368 -10.409 -8.622 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.564 -6.694 -6.801 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.815 -11.651 -7.032 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.105 -7.933 -5.295 1.00 10.00 H new ATOM 0 HH TYR A 97 3.943 -9.926 -4.727 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.808 -6.832 -6.868 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.209 -6.628 -5.481 1.00 10.00 C ATOM 1556 C LEU A 98 -3.526 -7.331 -5.146 1.00 10.00 C ATOM 1557 O LEU A 98 -3.578 -8.032 -4.138 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.256 -5.134 -5.132 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.127 -4.704 -4.174 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.161 -3.801 -4.915 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.659 -3.966 -2.953 1.00 10.00 C ATOM 0 H LEU A 98 -1.440 -5.991 -7.311 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.446 -7.091 -4.856 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.189 -4.550 -6.050 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.219 -4.903 -4.677 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.626 -5.608 -3.826 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.639 -3.494 -4.242 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.264 -4.340 -5.762 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.691 -2.919 -5.275 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.827 -3.683 -2.308 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.191 -3.070 -3.273 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.340 -4.616 -2.403 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.561 -7.180 -5.984 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.835 -7.873 -5.814 1.00 10.00 C ATOM 1575 C LYS A 99 -5.627 -9.352 -5.477 1.00 10.00 C ATOM 1576 O LYS A 99 -6.127 -9.823 -4.458 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.727 -7.757 -7.065 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.635 -6.519 -7.090 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.906 -6.798 -7.921 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.340 -5.628 -8.822 1.00 10.00 C ATOM 1581 NZ LYS A 99 -8.912 -5.815 -10.226 1.00 10.00 N ATOM 0 H LYS A 99 -4.533 -6.570 -6.801 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.340 -7.384 -4.981 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.090 -7.742 -7.949 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.349 -8.649 -7.136 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.912 -6.243 -6.072 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -7.095 -5.673 -7.514 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.734 -7.677 -8.543 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.724 -7.042 -7.243 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -10.425 -5.526 -8.785 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.919 -4.699 -8.436 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.226 -5.003 -10.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -7.875 -5.886 -10.266 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.334 -6.687 -10.604 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.915 -10.097 -6.329 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.679 -11.503 -6.085 1.00 10.00 C ATOM 1597 C LYS A 100 -3.693 -11.647 -4.922 1.00 10.00 C ATOM 1598 O LYS A 100 -3.922 -12.441 -4.019 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.195 -12.171 -7.385 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.757 -13.618 -7.122 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.481 -14.696 -7.941 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.984 -14.805 -9.389 1.00 10.00 C ATOM 1603 NZ LYS A 100 -4.377 -16.096 -9.996 1.00 10.00 N ATOM 0 H LYS A 100 -4.498 -9.741 -7.189 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.596 -12.015 -5.793 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.994 -12.157 -8.126 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.363 -11.604 -7.803 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.688 -13.695 -7.320 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.902 -13.835 -6.064 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.355 -15.660 -7.449 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.549 -14.479 -7.948 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.392 -13.984 -9.979 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -2.899 -14.705 -9.412 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -4.027 -16.140 -10.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -3.967 -16.877 -9.446 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.414 -16.179 -9.995 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.593 -10.899 -4.955 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.458 -11.108 -4.071 1.00 10.00 C ATOM 1619 C ALA A 101 -1.891 -11.021 -2.611 1.00 10.00 C ATOM 1620 O ALA A 101 -1.668 -11.913 -1.802 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.395 -10.057 -4.390 1.00 10.00 C ATOM 0 H ALA A 101 -2.467 -10.123 -5.605 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.044 -12.104 -4.228 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.465 -10.199 -3.735 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.081 -10.160 -5.429 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.810 -9.061 -4.234 1.00 10.00 H new ATOM 1627 N THR A 102 -2.549 -9.918 -2.272 1.00 10.00 N ATOM 1628 CA THR A 102 -2.988 -9.687 -0.910 1.00 10.00 C ATOM 1629 C THR A 102 -3.977 -10.762 -0.464 1.00 10.00 C ATOM 1630 O THR A 102 -3.961 -11.178 0.693 1.00 10.00 O ATOM 1631 CB THR A 102 -3.618 -8.305 -0.829 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.734 -8.234 -1.692 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.601 -7.221 -1.195 1.00 10.00 C ATOM 0 H THR A 102 -2.788 -9.172 -2.926 1.00 10.00 H new ATOM 0 HA THR A 102 -2.131 -9.738 -0.239 1.00 10.00 H new ATOM 0 HB THR A 102 -3.946 -8.134 0.197 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.427 -8.124 -2.616 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.074 -6.241 -1.130 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.759 -7.264 -0.504 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.245 -7.385 -2.212 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.845 -11.180 -1.389 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.820 -12.234 -1.174 1.00 10.00 C ATOM 1643 C ASN A 103 -5.112 -13.550 -0.840 1.00 10.00 C ATOM 1644 O ASN A 103 -5.479 -14.202 0.135 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.724 -12.336 -2.413 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.907 -13.280 -2.236 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.752 -14.450 -1.916 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.118 -12.788 -2.490 1.00 10.00 N ATOM 0 H ASN A 103 -4.884 -10.781 -2.327 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.454 -12.002 -0.319 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.098 -11.343 -2.661 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.127 -12.672 -3.260 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.938 -13.390 -2.419 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.225 -11.809 -2.755 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.102 -13.922 -1.634 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.438 -15.214 -1.568 1.00 10.00 C ATOM 1657 C GLU A 104 -1.977 -15.081 -1.994 1.00 10.00 C ATOM 1658 O GLU A 104 -1.115 -15.456 -1.163 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.172 -16.195 -2.498 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.071 -17.169 -1.725 1.00 10.00 C ATOM 1661 CD GLU A 104 -4.300 -18.424 -1.339 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -3.496 -18.344 -0.384 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -4.458 -19.435 -2.052 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.757 -14.699 -3.165 1.00 10.00 O ATOM 0 H GLU A 104 -3.719 -13.312 -2.356 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.463 -15.586 -0.544 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.777 -15.633 -3.210 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.441 -16.760 -3.076 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -5.456 -16.683 -0.829 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.932 -17.439 -2.336 1.00 10.00 H new