USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 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 36 SER OG : rot 78:sc= 1.2 USER MOD Set 1.2: A 53 HIS :FLIP no HD1:sc= -0.0558 F(o=0.24,f=1.1) USER MOD Set 2.1: A 14 GLN :FLIP amide:sc= -0.102 F(o=-1.6,f=-0.23) USER MOD Set 2.2: A 18 GLN :FLIP amide:sc= -0.131 X(o=-0.24,f=-0.23) USER MOD Set 3.1: A 1 MET N :NH3+ 174:sc= 0.546 (180deg=-0.136) USER MOD Set 3.2: A 7 ASN : amide:sc= -0.0125 K(o=0.53,f=-4.5) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0802 (180deg=-0.412) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.041) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0442) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 27 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.3) USER MOD Single : A 30 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -134:sc= -0.931 (180deg=-2.97!) USER MOD Single : A 59 SER OG : rot -100:sc= 1.18 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.016) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0344 (180deg=-0.241) USER MOD Single : A 78 THR OG1 : rot 140:sc= 0.205 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.070 4.087 -4.541 1.00 0.00 N ATOM 2 CA MET A 1 -0.755 3.678 -5.798 1.00 0.00 C ATOM 3 C MET A 1 -0.958 2.153 -5.859 1.00 0.00 C ATOM 4 O MET A 1 -1.758 1.666 -6.666 1.00 0.00 O ATOM 5 CB MET A 1 0.043 4.168 -7.040 1.00 0.00 C ATOM 6 CG MET A 1 1.456 3.576 -7.181 1.00 0.00 C ATOM 7 SD MET A 1 2.309 4.124 -8.681 1.00 0.00 S ATOM 8 CE MET A 1 2.353 5.904 -8.469 1.00 0.00 C ATOM 0 H1 MET A 1 0.142 5.104 -4.577 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.689 3.891 -3.729 1.00 0.00 H new ATOM 0 H3 MET A 1 0.816 3.552 -4.439 1.00 0.00 H new ATOM 0 HA MET A 1 -1.739 4.147 -5.805 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.527 3.927 -7.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.123 5.254 -6.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.049 3.855 -6.310 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.389 2.488 -7.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.082 6.334 -9.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.367 6.320 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.637 6.141 -7.444 1.00 0.00 H new ATOM 20 N LYS A 2 -0.219 1.406 -5.014 1.00 0.00 N ATOM 21 CA LYS A 2 -0.311 -0.061 -4.957 1.00 0.00 C ATOM 22 C LYS A 2 -1.616 -0.436 -4.213 1.00 0.00 C ATOM 23 O LYS A 2 -2.578 -0.909 -4.830 1.00 0.00 O ATOM 24 CB LYS A 2 0.964 -0.664 -4.259 1.00 0.00 C ATOM 25 CG LYS A 2 1.411 -2.107 -4.680 1.00 0.00 C ATOM 26 CD LYS A 2 0.359 -3.239 -4.445 1.00 0.00 C ATOM 27 CE LYS A 2 -0.514 -3.543 -5.686 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.611 -4.498 -5.389 1.00 0.00 N ATOM 0 H LYS A 2 0.453 1.803 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.345 -0.483 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.799 0.013 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.787 -0.668 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.671 -2.092 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.319 -2.360 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.878 -4.149 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.289 -2.954 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.939 -2.613 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.115 -3.951 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.166 -4.668 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.208 -5.396 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.229 -4.099 -4.653 1.00 0.00 H new ATOM 42 N CYS A 3 -1.642 -0.175 -2.894 1.00 0.00 N ATOM 43 CA CYS A 3 -2.802 -0.454 -2.035 1.00 0.00 C ATOM 44 C CYS A 3 -3.788 0.730 -2.095 1.00 0.00 C ATOM 45 O CYS A 3 -3.787 1.599 -1.219 1.00 0.00 O ATOM 46 CB CYS A 3 -2.317 -0.733 -0.597 1.00 0.00 C ATOM 47 SG CYS A 3 -1.118 -2.082 -0.491 1.00 0.00 S ATOM 0 H CYS A 3 -0.854 0.237 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.331 -1.340 -2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.869 0.174 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.177 -0.972 0.028 1.00 0.00 H new ATOM 0 HG CYS A 3 -0.761 -2.249 0.748 1.00 0.00 H new ATOM 53 N LYS A 4 -4.599 0.750 -3.173 1.00 0.00 N ATOM 54 CA LYS A 4 -5.497 1.874 -3.523 1.00 0.00 C ATOM 55 C LYS A 4 -6.495 2.222 -2.414 1.00 0.00 C ATOM 56 O LYS A 4 -6.681 3.402 -2.106 1.00 0.00 O ATOM 57 CB LYS A 4 -6.275 1.566 -4.834 1.00 0.00 C ATOM 58 CG LYS A 4 -5.406 1.558 -6.108 1.00 0.00 C ATOM 59 CD LYS A 4 -4.783 2.947 -6.394 1.00 0.00 C ATOM 60 CE LYS A 4 -5.832 4.066 -6.571 1.00 0.00 C ATOM 61 NZ LYS A 4 -6.794 3.752 -7.649 1.00 0.00 N ATOM 0 H LYS A 4 -4.650 -0.024 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.850 2.740 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.759 0.595 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.066 2.306 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.612 0.820 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.013 1.251 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.114 3.212 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.174 2.885 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.370 4.211 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.327 5.005 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.440 4.556 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.278 3.572 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.342 2.907 -7.390 1.00 0.00 H new ATOM 75 N ARG A 5 -7.119 1.183 -1.827 1.00 0.00 N ATOM 76 CA ARG A 5 -8.194 1.352 -0.823 1.00 0.00 C ATOM 77 C ARG A 5 -7.630 2.083 0.410 1.00 0.00 C ATOM 78 O ARG A 5 -8.239 3.021 0.939 1.00 0.00 O ATOM 79 CB ARG A 5 -8.802 -0.025 -0.403 1.00 0.00 C ATOM 80 CG ARG A 5 -9.042 -1.017 -1.563 1.00 0.00 C ATOM 81 CD ARG A 5 -9.925 -0.449 -2.684 1.00 0.00 C ATOM 82 NE ARG A 5 -11.310 -0.218 -2.250 1.00 0.00 N ATOM 83 CZ ARG A 5 -12.151 0.661 -2.807 1.00 0.00 C ATOM 84 NH1 ARG A 5 -11.723 1.550 -3.699 1.00 0.00 N ATOM 85 NH2 ARG A 5 -13.412 0.683 -2.427 1.00 0.00 N ATOM 0 H ARG A 5 -6.896 0.209 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.994 1.944 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.136 -0.493 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.750 0.154 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.080 -1.312 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.507 -1.920 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.498 0.489 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.923 -1.139 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.656 -0.769 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.739 1.569 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.378 2.213 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.741 0.033 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.060 1.350 -2.847 1.00 0.00 H new ATOM 99 N LEU A 6 -6.417 1.663 0.807 1.00 0.00 N ATOM 100 CA LEU A 6 -5.705 2.225 1.954 1.00 0.00 C ATOM 101 C LEU A 6 -5.236 3.663 1.640 1.00 0.00 C ATOM 102 O LEU A 6 -5.295 4.527 2.511 1.00 0.00 O ATOM 103 CB LEU A 6 -4.519 1.281 2.345 1.00 0.00 C ATOM 104 CG LEU A 6 -3.863 1.455 3.767 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.872 2.637 3.835 1.00 0.00 C ATOM 106 CD2 LEU A 6 -4.941 1.562 4.870 1.00 0.00 C ATOM 0 H LEU A 6 -5.904 0.919 0.334 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.373 2.291 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.872 0.253 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.734 1.407 1.599 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.276 0.554 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.454 2.704 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.067 2.479 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.394 3.564 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.458 1.681 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.578 2.424 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.547 0.656 4.875 1.00 0.00 H new ATOM 118 N ASN A 7 -4.799 3.906 0.391 1.00 0.00 N ATOM 119 CA ASN A 7 -4.325 5.235 -0.050 1.00 0.00 C ATOM 120 C ASN A 7 -5.431 6.302 0.103 1.00 0.00 C ATOM 121 O ASN A 7 -5.269 7.266 0.855 1.00 0.00 O ATOM 122 CB ASN A 7 -3.821 5.198 -1.529 1.00 0.00 C ATOM 123 CG ASN A 7 -2.515 4.410 -1.728 1.00 0.00 C ATOM 124 OD1 ASN A 7 -2.324 3.754 -2.760 1.00 0.00 O ATOM 125 ND2 ASN A 7 -1.580 4.529 -0.788 1.00 0.00 N ATOM 0 H ASN A 7 -4.764 3.194 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.488 5.507 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.597 4.758 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.672 6.220 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.676 4.072 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.768 5.077 0.052 1.00 0.00 H new ATOM 132 N GLU A 8 -6.566 6.073 -0.577 1.00 0.00 N ATOM 133 CA GLU A 8 -7.668 7.054 -0.694 1.00 0.00 C ATOM 134 C GLU A 8 -8.345 7.352 0.658 1.00 0.00 C ATOM 135 O GLU A 8 -8.699 8.519 0.952 1.00 0.00 O ATOM 136 CB GLU A 8 -8.679 6.569 -1.757 1.00 0.00 C ATOM 137 CG GLU A 8 -9.299 5.174 -1.498 1.00 0.00 C ATOM 138 CD GLU A 8 -10.049 4.632 -2.721 1.00 0.00 C ATOM 139 OE1 GLU A 8 -11.007 5.296 -3.156 1.00 0.00 O ATOM 140 OE2 GLU A 8 -9.669 3.566 -3.268 1.00 0.00 O ATOM 0 H GLU A 8 -6.750 5.197 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.245 8.004 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.486 7.299 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.181 6.552 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.510 4.475 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.984 5.235 -0.653 1.00 0.00 H new ATOM 147 N VAL A 9 -8.482 6.320 1.514 1.00 0.00 N ATOM 148 CA VAL A 9 -9.002 6.525 2.871 1.00 0.00 C ATOM 149 C VAL A 9 -7.980 7.345 3.712 1.00 0.00 C ATOM 150 O VAL A 9 -8.341 8.303 4.369 1.00 0.00 O ATOM 151 CB VAL A 9 -9.429 5.186 3.590 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.518 4.424 2.785 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.223 4.275 3.920 1.00 0.00 C ATOM 0 H VAL A 9 -8.243 5.354 1.291 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.924 7.099 2.783 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.868 5.476 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.786 3.508 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.401 5.054 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.132 4.174 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.576 3.369 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.705 4.008 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.537 4.805 4.581 1.00 0.00 H new ATOM 163 N ILE A 10 -6.680 7.026 3.609 1.00 0.00 N ATOM 164 CA ILE A 10 -5.610 7.797 4.292 1.00 0.00 C ATOM 165 C ILE A 10 -5.359 9.178 3.593 1.00 0.00 C ATOM 166 O ILE A 10 -4.545 9.987 4.053 1.00 0.00 O ATOM 167 CB ILE A 10 -4.306 6.889 4.447 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.624 5.652 5.356 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.058 7.631 4.992 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.061 5.987 6.780 1.00 0.00 C ATOM 0 H ILE A 10 -6.336 6.238 3.059 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.930 8.056 5.301 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.046 6.576 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.409 5.064 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.738 5.019 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.223 6.934 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.795 8.445 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.278 8.036 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.257 5.065 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.270 6.545 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.968 6.591 6.750 1.00 0.00 H new ATOM 182 N GLU A 11 -6.110 9.491 2.506 1.00 0.00 N ATOM 183 CA GLU A 11 -6.151 10.872 1.970 1.00 0.00 C ATOM 184 C GLU A 11 -7.105 11.748 2.819 1.00 0.00 C ATOM 185 O GLU A 11 -6.647 12.657 3.518 1.00 0.00 O ATOM 186 CB GLU A 11 -6.586 10.895 0.474 1.00 0.00 C ATOM 187 CG GLU A 11 -5.677 10.107 -0.492 1.00 0.00 C ATOM 188 CD GLU A 11 -4.264 10.686 -0.671 1.00 0.00 C ATOM 189 OE1 GLU A 11 -3.383 10.435 0.179 1.00 0.00 O ATOM 190 OE2 GLU A 11 -4.018 11.375 -1.676 1.00 0.00 O ATOM 0 H GLU A 11 -6.683 8.820 1.994 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.142 11.281 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.598 10.495 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.628 11.932 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.591 9.082 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.161 10.062 -1.467 1.00 0.00 H new ATOM 197 N LEU A 12 -8.419 11.423 2.840 1.00 0.00 N ATOM 198 CA LEU A 12 -9.452 12.321 3.483 1.00 0.00 C ATOM 199 C LEU A 12 -9.898 11.826 4.885 1.00 0.00 C ATOM 200 O LEU A 12 -10.201 12.632 5.770 1.00 0.00 O ATOM 201 CB LEU A 12 -10.701 12.586 2.541 1.00 0.00 C ATOM 202 CG LEU A 12 -11.181 11.463 1.545 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.273 11.384 0.295 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.317 10.091 2.236 1.00 0.00 C ATOM 0 H LEU A 12 -8.800 10.569 2.433 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.950 13.277 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.546 12.834 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.479 13.474 1.948 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.178 11.746 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.635 10.599 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.292 12.339 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.251 11.158 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.650 9.349 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.351 9.792 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.046 10.161 3.044 1.00 0.00 H new ATOM 216 N LEU A 13 -9.936 10.503 5.061 1.00 0.00 N ATOM 217 CA LEU A 13 -10.347 9.851 6.323 1.00 0.00 C ATOM 218 C LEU A 13 -9.203 9.847 7.339 1.00 0.00 C ATOM 219 O LEU A 13 -9.439 9.534 8.503 1.00 0.00 O ATOM 220 CB LEU A 13 -10.897 8.415 5.998 1.00 0.00 C ATOM 221 CG LEU A 13 -10.855 7.308 7.118 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.072 6.375 7.034 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.540 6.491 7.044 1.00 0.00 C ATOM 0 H LEU A 13 -9.681 9.841 4.328 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.151 10.417 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.935 8.524 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.341 8.036 5.140 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.890 7.819 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.010 5.624 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.986 6.956 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.086 5.881 6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.537 5.734 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.468 6.006 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.689 7.158 7.181 1.00 0.00 H new ATOM 235 N GLN A 14 -7.976 10.241 6.897 1.00 0.00 N ATOM 236 CA GLN A 14 -6.749 10.194 7.720 1.00 0.00 C ATOM 237 C GLN A 14 -7.025 10.677 9.188 1.00 0.00 C ATOM 238 O GLN A 14 -6.875 9.861 10.096 1.00 0.00 O ATOM 239 CB GLN A 14 -5.578 11.009 7.057 1.00 0.00 C ATOM 240 CG GLN A 14 -4.156 10.430 7.243 1.00 0.00 C ATOM 241 CD GLN A 14 -3.810 9.995 8.670 1.00 0.00 C ATOM 242 OE1 GLN A 14 -4.049 8.722 8.983 1.00 0.00 O flip ATOM 243 NE2 GLN A 14 -3.326 10.777 9.481 1.00 0.00 N flip ATOM 0 H GLN A 14 -7.817 10.600 5.956 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.431 9.153 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.778 11.090 5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.592 12.021 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.041 9.572 6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.432 11.179 6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.153 11.746 9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.096 10.458 10.422 1.00 0.00 H new ATOM 252 N PRO A 15 -7.531 11.956 9.436 1.00 0.00 N ATOM 253 CA PRO A 15 -7.785 12.441 10.819 1.00 0.00 C ATOM 254 C PRO A 15 -8.887 11.617 11.530 1.00 0.00 C ATOM 255 O PRO A 15 -8.737 11.279 12.712 1.00 0.00 O ATOM 256 CB PRO A 15 -8.201 13.928 10.617 1.00 0.00 C ATOM 257 CG PRO A 15 -8.731 13.996 9.219 1.00 0.00 C ATOM 258 CD PRO A 15 -7.904 13.008 8.425 1.00 0.00 C ATOM 0 HA PRO A 15 -6.914 12.337 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.959 14.228 11.341 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.351 14.597 10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.789 13.737 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.637 15.003 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.473 12.584 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.021 13.480 7.995 1.00 0.00 H new ATOM 266 N ALA A 16 -9.958 11.261 10.782 1.00 0.00 N ATOM 267 CA ALA A 16 -11.108 10.498 11.298 1.00 0.00 C ATOM 268 C ALA A 16 -10.676 9.148 11.910 1.00 0.00 C ATOM 269 O ALA A 16 -11.061 8.821 13.032 1.00 0.00 O ATOM 270 CB ALA A 16 -12.146 10.283 10.184 1.00 0.00 C ATOM 0 H ALA A 16 -10.044 11.500 9.794 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.562 11.083 12.098 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.991 9.718 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.494 11.249 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.690 9.729 9.364 1.00 0.00 H new ATOM 276 N TRP A 17 -9.873 8.372 11.159 1.00 0.00 N ATOM 277 CA TRP A 17 -9.378 7.057 11.616 1.00 0.00 C ATOM 278 C TRP A 17 -8.320 7.212 12.727 1.00 0.00 C ATOM 279 O TRP A 17 -8.120 6.298 13.514 1.00 0.00 O ATOM 280 CB TRP A 17 -8.825 6.247 10.418 1.00 0.00 C ATOM 281 CG TRP A 17 -8.797 4.737 10.586 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.388 3.988 11.567 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.182 3.800 9.694 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.149 2.657 11.356 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.406 2.513 10.214 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.440 3.930 8.523 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -7.933 1.364 9.584 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -6.971 2.798 7.889 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.211 1.522 8.428 1.00 0.00 C ATOM 0 H TRP A 17 -9.551 8.634 10.227 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.215 6.505 12.044 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.424 6.483 9.539 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.810 6.588 10.213 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.961 4.390 12.390 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.472 1.895 11.953 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.233 4.908 8.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.128 0.383 9.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.414 2.893 6.969 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.820 0.651 7.923 1.00 0.00 H new ATOM 300 N GLN A 18 -7.646 8.378 12.794 1.00 0.00 N ATOM 301 CA GLN A 18 -6.690 8.671 13.898 1.00 0.00 C ATOM 302 C GLN A 18 -7.425 8.961 15.221 1.00 0.00 C ATOM 303 O GLN A 18 -6.809 8.914 16.293 1.00 0.00 O ATOM 304 CB GLN A 18 -5.712 9.827 13.548 1.00 0.00 C ATOM 305 CG GLN A 18 -4.787 9.560 12.339 1.00 0.00 C ATOM 306 CD GLN A 18 -4.006 8.245 12.413 1.00 0.00 C ATOM 307 OE1 GLN A 18 -4.579 7.169 11.879 1.00 0.00 O flip ATOM 308 NE2 GLN A 18 -2.892 8.198 12.927 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.739 9.128 12.109 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.090 7.770 14.030 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.294 10.727 13.349 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.093 10.035 14.421 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.389 9.559 11.430 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.079 10.384 12.251 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.479 9.040 13.328 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.379 7.317 12.953 1.00 0.00 H new ATOM 317 N LYS A 19 -8.739 9.273 15.139 1.00 0.00 N ATOM 318 CA LYS A 19 -9.589 9.435 16.343 1.00 0.00 C ATOM 319 C LYS A 19 -9.751 8.083 17.078 1.00 0.00 C ATOM 320 O LYS A 19 -9.798 8.047 18.306 1.00 0.00 O ATOM 321 CB LYS A 19 -10.979 10.042 15.998 1.00 0.00 C ATOM 322 CG LYS A 19 -10.929 11.337 15.152 1.00 0.00 C ATOM 323 CD LYS A 19 -9.948 12.400 15.705 1.00 0.00 C ATOM 324 CE LYS A 19 -9.876 13.655 14.818 1.00 0.00 C ATOM 325 NZ LYS A 19 -11.186 14.346 14.704 1.00 0.00 N ATOM 0 H LYS A 19 -9.232 9.417 14.258 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.085 10.138 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.563 9.295 15.460 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.509 10.252 16.927 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.640 11.084 14.132 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.929 11.768 15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.257 12.687 16.710 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.953 11.962 15.790 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.139 14.345 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.529 13.374 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.064 15.237 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.857 13.736 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.555 14.549 15.655 1.00 0.00 H new ATOM 339 N GLU A 20 -9.828 6.980 16.301 1.00 0.00 N ATOM 340 CA GLU A 20 -9.769 5.612 16.854 1.00 0.00 C ATOM 341 C GLU A 20 -9.374 4.603 15.745 1.00 0.00 C ATOM 342 O GLU A 20 -10.237 4.166 14.967 1.00 0.00 O ATOM 343 CB GLU A 20 -11.101 5.188 17.553 1.00 0.00 C ATOM 344 CG GLU A 20 -11.038 3.810 18.261 1.00 0.00 C ATOM 345 CD GLU A 20 -9.946 3.720 19.354 1.00 0.00 C ATOM 346 OE1 GLU A 20 -8.773 3.416 19.023 1.00 0.00 O ATOM 347 OE2 GLU A 20 -10.251 3.947 20.541 1.00 0.00 O ATOM 0 H GLU A 20 -9.931 7.013 15.287 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.001 5.607 17.628 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.371 5.948 18.286 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.897 5.165 16.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.008 3.598 18.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.857 3.036 17.515 1.00 0.00 H new ATOM 354 N PRO A 21 -8.041 4.261 15.618 1.00 0.00 N ATOM 355 CA PRO A 21 -7.549 3.264 14.637 1.00 0.00 C ATOM 356 C PRO A 21 -7.618 1.803 15.148 1.00 0.00 C ATOM 357 O PRO A 21 -7.009 0.912 14.540 1.00 0.00 O ATOM 358 CB PRO A 21 -6.093 3.733 14.407 1.00 0.00 C ATOM 359 CG PRO A 21 -5.664 4.239 15.749 1.00 0.00 C ATOM 360 CD PRO A 21 -6.903 4.864 16.376 1.00 0.00 C ATOM 0 HA PRO A 21 -8.156 3.229 13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.458 2.915 14.066 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.040 4.515 13.649 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.280 3.428 16.368 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.863 4.972 15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.969 4.637 17.440 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.893 5.950 16.282 1.00 0.00 H new ATOM 368 N ASP A 22 -8.348 1.572 16.267 1.00 0.00 N ATOM 369 CA ASP A 22 -8.633 0.207 16.777 1.00 0.00 C ATOM 370 C ASP A 22 -9.468 -0.584 15.757 1.00 0.00 C ATOM 371 O ASP A 22 -9.224 -1.776 15.523 1.00 0.00 O ATOM 372 CB ASP A 22 -9.376 0.270 18.139 1.00 0.00 C ATOM 373 CG ASP A 22 -9.841 -1.113 18.654 1.00 0.00 C ATOM 374 OD1 ASP A 22 -8.992 -1.899 19.129 1.00 0.00 O ATOM 375 OD2 ASP A 22 -11.052 -1.424 18.570 1.00 0.00 O ATOM 0 H ASP A 22 -8.752 2.316 16.836 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.682 -0.304 16.926 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.719 0.723 18.881 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.244 0.923 18.041 1.00 0.00 H new ATOM 380 N PHE A 23 -10.454 0.108 15.162 1.00 0.00 N ATOM 381 CA PHE A 23 -11.306 -0.450 14.105 1.00 0.00 C ATOM 382 C PHE A 23 -10.464 -0.751 12.858 1.00 0.00 C ATOM 383 O PHE A 23 -9.526 -0.010 12.544 1.00 0.00 O ATOM 384 CB PHE A 23 -12.444 0.535 13.744 1.00 0.00 C ATOM 385 CG PHE A 23 -13.391 0.856 14.901 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.429 -0.017 15.235 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.247 2.024 15.652 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.284 0.266 16.284 1.00 0.00 C ATOM 389 CE2 PHE A 23 -14.104 2.303 16.703 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.123 1.429 17.015 1.00 0.00 C ATOM 0 H PHE A 23 -10.681 1.073 15.403 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.750 -1.375 14.472 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.003 1.464 13.383 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -13.024 0.116 12.921 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.565 -0.925 14.666 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.457 2.719 15.410 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.079 -0.422 16.533 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.974 3.207 17.279 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.796 1.652 17.830 1.00 0.00 H new ATOM 400 N ASN A 24 -10.791 -1.854 12.171 1.00 0.00 N ATOM 401 CA ASN A 24 -10.137 -2.233 10.905 1.00 0.00 C ATOM 402 C ASN A 24 -10.654 -1.353 9.744 1.00 0.00 C ATOM 403 O ASN A 24 -11.423 -0.413 9.971 1.00 0.00 O ATOM 404 CB ASN A 24 -10.366 -3.737 10.614 1.00 0.00 C ATOM 405 CG ASN A 24 -9.786 -4.678 11.679 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.816 -4.350 12.360 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.360 -5.864 11.805 1.00 0.00 N ATOM 0 H ASN A 24 -11.513 -2.508 12.473 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.064 -2.065 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.437 -3.920 10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.922 -3.981 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.999 -6.536 12.482 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.163 -6.106 11.225 1.00 0.00 H new ATOM 414 N LEU A 25 -10.228 -1.673 8.502 1.00 0.00 N ATOM 415 CA LEU A 25 -10.518 -0.849 7.312 1.00 0.00 C ATOM 416 C LEU A 25 -12.048 -0.748 7.083 1.00 0.00 C ATOM 417 O LEU A 25 -12.616 0.333 7.200 1.00 0.00 O ATOM 418 CB LEU A 25 -9.758 -1.452 6.076 1.00 0.00 C ATOM 419 CG LEU A 25 -9.540 -0.532 4.817 1.00 0.00 C ATOM 420 CD1 LEU A 25 -10.810 -0.359 3.961 1.00 0.00 C ATOM 421 CD2 LEU A 25 -8.957 0.841 5.224 1.00 0.00 C ATOM 0 H LEU A 25 -9.676 -2.506 8.299 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.161 0.170 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.779 -1.786 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.302 -2.339 5.751 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.814 -1.048 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.590 0.286 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.142 -1.333 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.597 0.093 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.817 1.455 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.645 1.341 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.997 0.696 5.720 1.00 0.00 H new ATOM 433 N LEU A 26 -12.716 -1.891 6.875 1.00 0.00 N ATOM 434 CA LEU A 26 -14.177 -1.935 6.635 1.00 0.00 C ATOM 435 C LEU A 26 -14.970 -1.644 7.933 1.00 0.00 C ATOM 436 O LEU A 26 -16.111 -1.183 7.863 1.00 0.00 O ATOM 437 CB LEU A 26 -14.617 -3.302 6.020 1.00 0.00 C ATOM 438 CG LEU A 26 -14.312 -3.544 4.501 1.00 0.00 C ATOM 439 CD1 LEU A 26 -14.987 -2.471 3.614 1.00 0.00 C ATOM 440 CD2 LEU A 26 -12.799 -3.648 4.226 1.00 0.00 C ATOM 0 H LEU A 26 -12.269 -2.808 6.867 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.406 -1.152 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.137 -4.097 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.692 -3.407 6.168 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.745 -4.508 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.756 -2.667 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.067 -2.505 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.614 -1.484 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.633 -3.816 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.310 -2.722 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.382 -4.480 4.793 1.00 0.00 H new ATOM 452 N GLN A 27 -14.350 -1.905 9.100 1.00 0.00 N ATOM 453 CA GLN A 27 -15.001 -1.728 10.416 1.00 0.00 C ATOM 454 C GLN A 27 -15.218 -0.238 10.736 1.00 0.00 C ATOM 455 O GLN A 27 -16.306 0.157 11.166 1.00 0.00 O ATOM 456 CB GLN A 27 -14.173 -2.406 11.538 1.00 0.00 C ATOM 457 CG GLN A 27 -14.047 -3.937 11.401 1.00 0.00 C ATOM 458 CD GLN A 27 -15.386 -4.682 11.438 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.355 -4.239 12.055 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.436 -5.846 10.814 1.00 0.00 N ATOM 0 H GLN A 27 -13.389 -2.243 9.159 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.978 -2.210 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.174 -1.971 11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.631 -2.176 12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.542 -4.166 10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.413 -4.312 12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.619 -6.190 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.292 -6.400 10.836 1.00 0.00 H new ATOM 469 N PHE A 28 -14.186 0.588 10.519 1.00 0.00 N ATOM 470 CA PHE A 28 -14.281 2.038 10.764 1.00 0.00 C ATOM 471 C PHE A 28 -15.149 2.701 9.681 1.00 0.00 C ATOM 472 O PHE A 28 -15.890 3.658 9.946 1.00 0.00 O ATOM 473 CB PHE A 28 -12.885 2.703 10.817 1.00 0.00 C ATOM 474 CG PHE A 28 -12.955 4.146 11.311 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.102 4.418 12.672 1.00 0.00 C ATOM 476 CD2 PHE A 28 -12.948 5.218 10.419 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.232 5.713 13.124 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.069 6.514 10.875 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.220 6.759 12.227 1.00 0.00 C ATOM 0 H PHE A 28 -13.276 0.280 10.175 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.750 2.181 11.738 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.234 2.126 11.474 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.436 2.681 9.824 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.114 3.603 13.380 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.847 5.031 9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.343 5.908 14.180 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.046 7.337 10.176 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.329 7.773 12.581 1.00 0.00 H new ATOM 489 N LEU A 29 -15.038 2.164 8.463 1.00 0.00 N ATOM 490 CA LEU A 29 -15.816 2.612 7.305 1.00 0.00 C ATOM 491 C LEU A 29 -17.326 2.420 7.539 1.00 0.00 C ATOM 492 O LEU A 29 -18.107 3.319 7.244 1.00 0.00 O ATOM 493 CB LEU A 29 -15.328 1.881 6.021 1.00 0.00 C ATOM 494 CG LEU A 29 -14.243 2.632 5.184 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.047 3.118 6.029 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.790 1.776 3.981 1.00 0.00 C ATOM 0 H LEU A 29 -14.399 1.398 8.251 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.655 3.681 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.930 0.908 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.190 1.696 5.381 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.714 3.538 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.332 3.631 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.400 3.804 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.563 2.263 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.035 2.318 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.369 0.837 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.646 1.568 3.340 1.00 0.00 H new ATOM 508 N GLN A 30 -17.719 1.259 8.102 1.00 0.00 N ATOM 509 CA GLN A 30 -19.128 0.949 8.378 1.00 0.00 C ATOM 510 C GLN A 30 -19.651 1.800 9.550 1.00 0.00 C ATOM 511 O GLN A 30 -20.838 2.076 9.612 1.00 0.00 O ATOM 512 CB GLN A 30 -19.320 -0.578 8.628 1.00 0.00 C ATOM 513 CG GLN A 30 -18.953 -1.097 10.037 1.00 0.00 C ATOM 514 CD GLN A 30 -20.122 -1.057 11.034 1.00 0.00 C ATOM 515 OE1 GLN A 30 -21.247 -1.383 10.700 1.00 0.00 O ATOM 516 NE2 GLN A 30 -19.877 -0.562 12.227 1.00 0.00 N ATOM 0 H GLN A 30 -17.072 0.519 8.374 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.722 1.207 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.363 -0.827 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.721 -1.121 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.593 -2.122 9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.130 -0.501 10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.926 -0.296 12.483 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.638 -0.444 12.896 1.00 0.00 H new ATOM 525 N LYS A 31 -18.756 2.194 10.487 1.00 0.00 N ATOM 526 CA LYS A 31 -19.119 3.120 11.583 1.00 0.00 C ATOM 527 C LYS A 31 -19.628 4.452 10.994 1.00 0.00 C ATOM 528 O LYS A 31 -20.797 4.818 11.179 1.00 0.00 O ATOM 529 CB LYS A 31 -17.899 3.377 12.530 1.00 0.00 C ATOM 530 CG LYS A 31 -17.449 2.147 13.352 1.00 0.00 C ATOM 531 CD LYS A 31 -18.469 1.709 14.429 1.00 0.00 C ATOM 532 CE LYS A 31 -18.696 2.788 15.499 1.00 0.00 C ATOM 533 NZ LYS A 31 -19.598 2.329 16.590 1.00 0.00 N ATOM 0 H LYS A 31 -17.784 1.886 10.505 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.912 2.661 12.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.058 3.724 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.154 4.183 13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.271 1.313 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.499 2.373 13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.419 1.472 13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.117 0.795 14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.736 3.080 15.925 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.121 3.676 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.718 3.093 17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.524 2.075 16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.183 1.498 17.057 1.00 0.00 H new ATOM 547 N LEU A 32 -18.762 5.099 10.193 1.00 0.00 N ATOM 548 CA LEU A 32 -19.024 6.442 9.650 1.00 0.00 C ATOM 549 C LEU A 32 -20.130 6.402 8.571 1.00 0.00 C ATOM 550 O LEU A 32 -20.865 7.380 8.398 1.00 0.00 O ATOM 551 CB LEU A 32 -17.693 7.070 9.109 1.00 0.00 C ATOM 552 CG LEU A 32 -17.147 6.544 7.726 1.00 0.00 C ATOM 553 CD1 LEU A 32 -17.677 7.373 6.525 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.605 6.471 7.721 1.00 0.00 C ATOM 0 H LEU A 32 -17.865 4.707 9.906 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.394 7.081 10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.840 8.147 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.918 6.911 9.859 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.531 5.532 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.271 6.970 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.765 7.320 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.367 8.412 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.261 6.105 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.193 7.464 7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.270 5.792 8.506 1.00 0.00 H new ATOM 566 N ALA A 33 -20.235 5.265 7.850 1.00 0.00 N ATOM 567 CA ALA A 33 -21.195 5.100 6.743 1.00 0.00 C ATOM 568 C ALA A 33 -22.612 4.838 7.268 1.00 0.00 C ATOM 569 O ALA A 33 -23.562 5.484 6.827 1.00 0.00 O ATOM 570 CB ALA A 33 -20.749 3.976 5.796 1.00 0.00 C ATOM 0 H ALA A 33 -19.659 4.441 8.020 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.216 6.033 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.473 3.873 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -19.771 4.218 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.686 3.038 6.348 1.00 0.00 H new ATOM 576 N LYS A 34 -22.749 3.886 8.207 1.00 0.00 N ATOM 577 CA LYS A 34 -24.067 3.491 8.738 1.00 0.00 C ATOM 578 C LYS A 34 -24.720 4.610 9.568 1.00 0.00 C ATOM 579 O LYS A 34 -25.951 4.750 9.542 1.00 0.00 O ATOM 580 CB LYS A 34 -23.993 2.171 9.544 1.00 0.00 C ATOM 581 CG LYS A 34 -23.669 0.920 8.682 1.00 0.00 C ATOM 582 CD LYS A 34 -24.062 -0.404 9.375 1.00 0.00 C ATOM 583 CE LYS A 34 -25.571 -0.482 9.687 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.965 -1.799 10.240 1.00 0.00 N ATOM 0 H LYS A 34 -21.965 3.376 8.614 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.706 3.315 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.233 2.273 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -24.945 2.013 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.193 0.995 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.602 0.905 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.783 -1.242 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -23.497 -0.507 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.833 0.301 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -26.138 -0.289 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.987 -1.803 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -25.740 -2.546 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -25.445 -1.974 11.123 1.00 0.00 H new ATOM 598 N GLU A 35 -23.905 5.416 10.281 1.00 0.00 N ATOM 599 CA GLU A 35 -24.432 6.592 11.018 1.00 0.00 C ATOM 600 C GLU A 35 -24.907 7.682 10.021 1.00 0.00 C ATOM 601 O GLU A 35 -25.828 8.446 10.319 1.00 0.00 O ATOM 602 CB GLU A 35 -23.386 7.165 12.014 1.00 0.00 C ATOM 603 CG GLU A 35 -22.150 7.801 11.353 1.00 0.00 C ATOM 604 CD GLU A 35 -21.159 8.390 12.363 1.00 0.00 C ATOM 605 OE1 GLU A 35 -21.326 9.564 12.748 1.00 0.00 O ATOM 606 OE2 GLU A 35 -20.224 7.675 12.792 1.00 0.00 O ATOM 0 H GLU A 35 -22.897 5.281 10.364 1.00 0.00 H new ATOM 0 HA GLU A 35 -25.287 6.262 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -23.872 7.913 12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.056 6.363 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.641 7.048 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.475 8.588 10.672 1.00 0.00 H new ATOM 613 N SER A 36 -24.273 7.720 8.829 1.00 0.00 N ATOM 614 CA SER A 36 -24.685 8.601 7.711 1.00 0.00 C ATOM 615 C SER A 36 -26.007 8.118 7.070 1.00 0.00 C ATOM 616 O SER A 36 -26.696 8.890 6.391 1.00 0.00 O ATOM 617 CB SER A 36 -23.571 8.651 6.644 1.00 0.00 C ATOM 618 OG SER A 36 -22.402 9.285 7.134 1.00 0.00 O ATOM 0 H SER A 36 -23.461 7.141 8.613 1.00 0.00 H new ATOM 0 HA SER A 36 -24.851 9.601 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.328 7.638 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.933 9.185 5.765 1.00 0.00 H new ATOM 0 HG SER A 36 -21.910 8.664 7.711 1.00 0.00 H new ATOM 624 N GLY A 37 -26.340 6.832 7.288 1.00 0.00 N ATOM 625 CA GLY A 37 -27.587 6.238 6.798 1.00 0.00 C ATOM 626 C GLY A 37 -27.377 5.196 5.706 1.00 0.00 C ATOM 627 O GLY A 37 -28.274 4.963 4.890 1.00 0.00 O ATOM 0 H GLY A 37 -25.751 6.182 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.113 5.776 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.231 7.030 6.415 1.00 0.00 H new ATOM 631 N PHE A 38 -26.186 4.577 5.675 1.00 0.00 N ATOM 632 CA PHE A 38 -25.894 3.462 4.758 1.00 0.00 C ATOM 633 C PHE A 38 -26.413 2.157 5.390 1.00 0.00 C ATOM 634 O PHE A 38 -25.851 1.671 6.369 1.00 0.00 O ATOM 635 CB PHE A 38 -24.370 3.382 4.469 1.00 0.00 C ATOM 636 CG PHE A 38 -23.974 2.272 3.489 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.333 2.354 2.143 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.265 1.145 3.915 1.00 0.00 C ATOM 639 CE1 PHE A 38 -23.981 1.355 1.252 1.00 0.00 C ATOM 640 CE2 PHE A 38 -22.918 0.153 3.020 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.279 0.254 1.692 1.00 0.00 C ATOM 0 H PHE A 38 -25.404 4.832 6.279 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.396 3.622 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.036 4.340 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -23.841 3.227 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -24.893 3.208 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -22.986 1.050 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.257 1.439 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.361 -0.707 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.012 -0.529 0.998 1.00 0.00 H new ATOM 651 N ASP A 39 -27.507 1.619 4.829 1.00 0.00 N ATOM 652 CA ASP A 39 -28.174 0.394 5.334 1.00 0.00 C ATOM 653 C ASP A 39 -27.803 -0.832 4.481 1.00 0.00 C ATOM 654 O ASP A 39 -28.195 -1.963 4.802 1.00 0.00 O ATOM 655 CB ASP A 39 -29.709 0.606 5.366 1.00 0.00 C ATOM 656 CG ASP A 39 -30.128 1.743 6.320 1.00 0.00 C ATOM 657 OD1 ASP A 39 -30.215 1.503 7.542 1.00 0.00 O ATOM 658 OD2 ASP A 39 -30.366 2.879 5.855 1.00 0.00 O ATOM 0 H ASP A 39 -27.961 2.019 4.008 1.00 0.00 H new ATOM 0 HA ASP A 39 -27.826 0.201 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -30.063 0.831 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.194 -0.320 5.674 1.00 0.00 H new ATOM 663 N GLY A 40 -27.048 -0.598 3.392 1.00 0.00 N ATOM 664 CA GLY A 40 -26.451 -1.681 2.609 1.00 0.00 C ATOM 665 C GLY A 40 -25.323 -2.373 3.379 1.00 0.00 C ATOM 666 O GLY A 40 -24.890 -1.866 4.432 1.00 0.00 O ATOM 0 H GLY A 40 -26.840 0.336 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.218 -2.411 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.062 -1.283 1.672 1.00 0.00 H new ATOM 670 N GLU A 41 -24.833 -3.518 2.871 1.00 0.00 N ATOM 671 CA GLU A 41 -23.747 -4.265 3.527 1.00 0.00 C ATOM 672 C GLU A 41 -22.406 -3.543 3.263 1.00 0.00 C ATOM 673 O GLU A 41 -22.168 -3.034 2.157 1.00 0.00 O ATOM 674 CB GLU A 41 -23.718 -5.756 3.062 1.00 0.00 C ATOM 675 CG GLU A 41 -23.175 -6.009 1.645 1.00 0.00 C ATOM 676 CD GLU A 41 -23.316 -7.468 1.198 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.451 -8.293 1.547 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.312 -7.804 0.522 1.00 0.00 O ATOM 0 H GLU A 41 -25.172 -3.945 2.009 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.922 -4.289 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -23.113 -6.325 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.731 -6.153 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.703 -5.367 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.123 -5.724 1.609 1.00 0.00 H new ATOM 685 N LEU A 42 -21.560 -3.460 4.308 1.00 0.00 N ATOM 686 CA LEU A 42 -20.247 -2.775 4.245 1.00 0.00 C ATOM 687 C LEU A 42 -19.239 -3.523 3.350 1.00 0.00 C ATOM 688 O LEU A 42 -18.241 -2.945 2.919 1.00 0.00 O ATOM 689 CB LEU A 42 -19.649 -2.559 5.655 1.00 0.00 C ATOM 690 CG LEU A 42 -19.505 -3.843 6.564 1.00 0.00 C ATOM 691 CD1 LEU A 42 -18.141 -3.876 7.287 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.670 -3.942 7.580 1.00 0.00 C ATOM 0 H LEU A 42 -21.764 -3.865 5.222 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.434 -1.800 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.663 -2.109 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.271 -1.836 6.182 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.553 -4.712 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -18.077 -4.773 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.338 -3.885 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -18.043 -2.994 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.544 -4.835 8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.670 -3.060 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.617 -4.000 7.043 1.00 0.00 H new ATOM 704 N ALA A 43 -19.513 -4.811 3.091 1.00 0.00 N ATOM 705 CA ALA A 43 -18.767 -5.608 2.092 1.00 0.00 C ATOM 706 C ALA A 43 -18.881 -4.963 0.693 1.00 0.00 C ATOM 707 O ALA A 43 -17.924 -4.951 -0.089 1.00 0.00 O ATOM 708 CB ALA A 43 -19.318 -7.043 2.069 1.00 0.00 C ATOM 0 H ALA A 43 -20.253 -5.331 3.563 1.00 0.00 H new ATOM 0 HA ALA A 43 -17.713 -5.634 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -18.770 -7.632 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.201 -7.494 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.375 -7.023 1.802 1.00 0.00 H new ATOM 714 N ASP A 44 -20.067 -4.390 0.429 1.00 0.00 N ATOM 715 CA ASP A 44 -20.438 -3.796 -0.869 1.00 0.00 C ATOM 716 C ASP A 44 -20.309 -2.247 -0.827 1.00 0.00 C ATOM 717 O ASP A 44 -20.572 -1.564 -1.827 1.00 0.00 O ATOM 718 CB ASP A 44 -21.887 -4.246 -1.214 1.00 0.00 C ATOM 719 CG ASP A 44 -22.344 -3.902 -2.646 1.00 0.00 C ATOM 720 OD1 ASP A 44 -21.885 -4.562 -3.601 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.172 -2.982 -2.824 1.00 0.00 O ATOM 0 H ASP A 44 -20.810 -4.325 1.125 1.00 0.00 H new ATOM 0 HA ASP A 44 -19.759 -4.142 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -21.962 -5.324 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -22.575 -3.783 -0.506 1.00 0.00 H new ATOM 726 N LEU A 45 -19.873 -1.718 0.342 1.00 0.00 N ATOM 727 CA LEU A 45 -19.680 -0.270 0.577 1.00 0.00 C ATOM 728 C LEU A 45 -18.624 0.301 -0.395 1.00 0.00 C ATOM 729 O LEU A 45 -17.433 -0.027 -0.294 1.00 0.00 O ATOM 730 CB LEU A 45 -19.256 -0.051 2.056 1.00 0.00 C ATOM 731 CG LEU A 45 -18.955 1.405 2.518 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.163 2.351 2.342 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.444 1.417 3.975 1.00 0.00 C ATOM 0 H LEU A 45 -19.644 -2.291 1.154 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.615 0.260 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -20.047 -0.448 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.366 -0.652 2.241 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.169 1.789 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.894 3.352 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.446 2.388 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -21.003 1.982 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.239 2.443 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -19.202 0.988 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.529 0.828 4.045 1.00 0.00 H new ATOM 745 N THR A 46 -19.089 1.114 -1.359 1.00 0.00 N ATOM 746 CA THR A 46 -18.236 1.710 -2.394 1.00 0.00 C ATOM 747 C THR A 46 -17.455 2.909 -1.841 1.00 0.00 C ATOM 748 O THR A 46 -17.976 3.672 -1.029 1.00 0.00 O ATOM 749 CB THR A 46 -19.070 2.144 -3.641 1.00 0.00 C ATOM 750 OG1 THR A 46 -20.204 2.928 -3.228 1.00 0.00 O ATOM 751 CG2 THR A 46 -19.536 0.935 -4.464 1.00 0.00 C ATOM 0 H THR A 46 -20.072 1.375 -1.440 1.00 0.00 H new ATOM 0 HA THR A 46 -17.526 0.945 -2.707 1.00 0.00 H new ATOM 0 HB THR A 46 -18.424 2.748 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.720 3.197 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.113 1.280 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.668 0.375 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.159 0.291 -3.843 1.00 0.00 H new ATOM 759 N ASP A 47 -16.209 3.059 -2.320 1.00 0.00 N ATOM 760 CA ASP A 47 -15.270 4.105 -1.860 1.00 0.00 C ATOM 761 C ASP A 47 -15.819 5.518 -2.085 1.00 0.00 C ATOM 762 O ASP A 47 -15.547 6.418 -1.300 1.00 0.00 O ATOM 763 CB ASP A 47 -13.915 3.949 -2.579 1.00 0.00 C ATOM 764 CG ASP A 47 -14.022 3.991 -4.117 1.00 0.00 C ATOM 765 OD1 ASP A 47 -14.022 5.085 -4.714 1.00 0.00 O ATOM 766 OD2 ASP A 47 -14.110 2.918 -4.738 1.00 0.00 O ATOM 0 H ASP A 47 -15.819 2.455 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.137 3.973 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.245 4.742 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.462 3.004 -2.281 1.00 0.00 H new ATOM 771 N ASP A 48 -16.592 5.690 -3.170 1.00 0.00 N ATOM 772 CA ASP A 48 -17.191 6.985 -3.543 1.00 0.00 C ATOM 773 C ASP A 48 -18.041 7.556 -2.387 1.00 0.00 C ATOM 774 O ASP A 48 -18.037 8.768 -2.140 1.00 0.00 O ATOM 775 CB ASP A 48 -18.055 6.829 -4.816 1.00 0.00 C ATOM 776 CG ASP A 48 -18.511 8.185 -5.389 1.00 0.00 C ATOM 777 OD1 ASP A 48 -17.702 8.834 -6.090 1.00 0.00 O ATOM 778 OD2 ASP A 48 -19.662 8.615 -5.127 1.00 0.00 O ATOM 0 H ASP A 48 -16.820 4.934 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.382 7.686 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.486 6.291 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.931 6.223 -4.585 1.00 0.00 H new ATOM 783 N ILE A 49 -18.745 6.648 -1.683 1.00 0.00 N ATOM 784 CA ILE A 49 -19.518 6.971 -0.473 1.00 0.00 C ATOM 785 C ILE A 49 -18.590 7.555 0.607 1.00 0.00 C ATOM 786 O ILE A 49 -18.823 8.663 1.089 1.00 0.00 O ATOM 787 CB ILE A 49 -20.255 5.691 0.096 1.00 0.00 C ATOM 788 CG1 ILE A 49 -21.219 5.087 -0.978 1.00 0.00 C ATOM 789 CG2 ILE A 49 -21.015 5.995 1.414 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.941 3.813 -0.559 1.00 0.00 C ATOM 0 H ILE A 49 -18.792 5.663 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 49 -20.272 7.709 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.489 4.952 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.964 5.839 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.646 4.880 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.506 5.089 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.310 6.345 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.764 6.766 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.584 3.475 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.209 3.039 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.548 4.012 0.324 1.00 0.00 H new ATOM 802 N LEU A 50 -17.520 6.806 0.947 1.00 0.00 N ATOM 803 CA LEU A 50 -16.596 7.180 2.033 1.00 0.00 C ATOM 804 C LEU A 50 -15.932 8.523 1.737 1.00 0.00 C ATOM 805 O LEU A 50 -16.132 9.475 2.478 1.00 0.00 O ATOM 806 CB LEU A 50 -15.489 6.117 2.278 1.00 0.00 C ATOM 807 CG LEU A 50 -15.945 4.730 2.804 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.985 4.855 3.934 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.431 3.822 1.671 1.00 0.00 C ATOM 0 H LEU A 50 -17.276 5.933 0.480 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.203 7.248 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.953 5.964 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.774 6.531 2.990 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.068 4.250 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.276 3.861 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.552 5.409 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.863 5.384 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.741 2.861 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.276 4.290 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.622 3.667 0.957 1.00 0.00 H new ATOM 821 N ILE A 51 -15.190 8.577 0.620 1.00 0.00 N ATOM 822 CA ILE A 51 -14.395 9.745 0.213 1.00 0.00 C ATOM 823 C ILE A 51 -15.248 11.038 0.286 1.00 0.00 C ATOM 824 O ILE A 51 -14.857 11.993 0.956 1.00 0.00 O ATOM 825 CB ILE A 51 -13.715 9.520 -1.218 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.423 8.609 -1.123 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.355 10.858 -1.917 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.599 7.220 -0.528 1.00 0.00 C ATOM 0 H ILE A 51 -15.125 7.798 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.573 9.870 0.917 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.463 9.007 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.012 8.498 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.678 9.139 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.896 10.651 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.260 11.447 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.655 11.416 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.640 6.703 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.972 7.306 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.312 6.655 -1.128 1.00 0.00 H new ATOM 840 N TYR A 52 -16.449 11.000 -0.318 1.00 0.00 N ATOM 841 CA TYR A 52 -17.435 12.098 -0.240 1.00 0.00 C ATOM 842 C TYR A 52 -17.830 12.450 1.226 1.00 0.00 C ATOM 843 O TYR A 52 -17.755 13.621 1.624 1.00 0.00 O ATOM 844 CB TYR A 52 -18.700 11.744 -1.064 1.00 0.00 C ATOM 845 CG TYR A 52 -19.794 12.823 -1.007 1.00 0.00 C ATOM 846 CD1 TYR A 52 -19.607 14.069 -1.611 1.00 0.00 C ATOM 847 CD2 TYR A 52 -20.992 12.606 -0.320 1.00 0.00 C ATOM 848 CE1 TYR A 52 -20.579 15.043 -1.540 1.00 0.00 C ATOM 849 CE2 TYR A 52 -21.962 13.577 -0.253 1.00 0.00 C ATOM 850 CZ TYR A 52 -21.747 14.795 -0.856 1.00 0.00 C ATOM 851 OH TYR A 52 -22.720 15.764 -0.796 1.00 0.00 O ATOM 0 H TYR A 52 -16.766 10.207 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.958 12.982 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -18.413 11.584 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -19.110 10.803 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.688 14.271 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -21.158 11.657 0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -20.425 15.998 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.887 13.385 0.270 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.482 15.431 -0.277 1.00 0.00 H new ATOM 861 N HIS A 53 -18.231 11.424 2.009 1.00 0.00 N ATOM 862 CA HIS A 53 -18.773 11.599 3.391 1.00 0.00 C ATOM 863 C HIS A 53 -17.729 12.216 4.338 1.00 0.00 C ATOM 864 O HIS A 53 -18.068 13.002 5.235 1.00 0.00 O ATOM 865 CB HIS A 53 -19.294 10.248 3.979 1.00 0.00 C ATOM 866 CG HIS A 53 -20.613 9.761 3.417 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.264 10.049 2.262 1.00 0.00 N flip ATOM 868 CD2 HIS A 53 -21.407 8.844 4.070 1.00 0.00 C flip ATOM 869 CE1 HIS A 53 -22.413 9.304 2.240 1.00 0.00 C flip ATOM 870 NE2 HIS A 53 -22.471 8.586 3.338 1.00 0.00 N flip ATOM 0 H HIS A 53 -18.191 10.450 1.709 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.613 12.288 3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.539 9.481 3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -19.396 10.357 5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -21.191 8.405 5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -23.150 9.307 1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -23.217 7.936 3.584 1.00 0.00 H new ATOM 879 N LEU A 54 -16.456 11.858 4.123 1.00 0.00 N ATOM 880 CA LEU A 54 -15.340 12.407 4.891 1.00 0.00 C ATOM 881 C LEU A 54 -15.096 13.853 4.477 1.00 0.00 C ATOM 882 O LEU A 54 -14.984 14.699 5.329 1.00 0.00 O ATOM 883 CB LEU A 54 -14.044 11.558 4.742 1.00 0.00 C ATOM 884 CG LEU A 54 -13.939 10.291 5.645 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.116 10.634 7.135 1.00 0.00 C ATOM 886 CD2 LEU A 54 -14.889 9.173 5.212 1.00 0.00 C ATOM 0 H LEU A 54 -16.176 11.181 3.413 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.611 12.374 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.958 11.244 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.189 12.200 4.953 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.927 9.908 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.036 9.724 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.341 11.337 7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.096 11.084 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.771 8.317 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.918 9.531 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.656 8.873 4.190 1.00 0.00 H new ATOM 898 N LYS A 55 -15.071 14.128 3.167 1.00 0.00 N ATOM 899 CA LYS A 55 -14.798 15.478 2.624 1.00 0.00 C ATOM 900 C LYS A 55 -15.814 16.543 3.107 1.00 0.00 C ATOM 901 O LYS A 55 -15.494 17.730 3.144 1.00 0.00 O ATOM 902 CB LYS A 55 -14.760 15.412 1.088 1.00 0.00 C ATOM 903 CG LYS A 55 -13.507 14.693 0.528 1.00 0.00 C ATOM 904 CD LYS A 55 -13.447 14.653 -1.020 1.00 0.00 C ATOM 905 CE LYS A 55 -14.784 14.252 -1.667 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.680 14.113 -3.145 1.00 0.00 N ATOM 0 H LYS A 55 -15.239 13.425 2.447 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.828 15.796 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.653 14.897 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.796 16.425 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.614 15.193 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.485 13.672 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.151 15.634 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.675 13.948 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.123 13.309 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.539 15.000 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.606 13.842 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.382 15.020 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.979 13.380 -3.376 1.00 0.00 H new ATOM 920 N MET A 56 -17.029 16.098 3.450 1.00 0.00 N ATOM 921 CA MET A 56 -18.067 16.963 4.065 1.00 0.00 C ATOM 922 C MET A 56 -17.645 17.448 5.478 1.00 0.00 C ATOM 923 O MET A 56 -17.836 18.617 5.822 1.00 0.00 O ATOM 924 CB MET A 56 -19.431 16.226 4.166 1.00 0.00 C ATOM 925 CG MET A 56 -19.989 15.692 2.839 1.00 0.00 C ATOM 926 SD MET A 56 -21.687 15.070 2.991 1.00 0.00 S ATOM 927 CE MET A 56 -21.571 13.962 4.402 1.00 0.00 C ATOM 0 H MET A 56 -17.329 15.133 3.313 1.00 0.00 H new ATOM 0 HA MET A 56 -18.175 17.829 3.412 1.00 0.00 H new ATOM 0 HB2 MET A 56 -19.323 15.391 4.858 1.00 0.00 H new ATOM 0 HB3 MET A 56 -20.162 16.908 4.600 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.963 16.486 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 56 -19.345 14.892 2.475 1.00 0.00 H new ATOM 0 HE1 MET A 56 -22.077 13.025 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.522 13.763 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 56 -22.043 14.425 5.268 1.00 0.00 H new ATOM 937 N ARG A 57 -17.092 16.526 6.295 1.00 0.00 N ATOM 938 CA ARG A 57 -16.602 16.848 7.667 1.00 0.00 C ATOM 939 C ARG A 57 -15.134 17.343 7.626 1.00 0.00 C ATOM 940 O ARG A 57 -14.645 17.952 8.578 1.00 0.00 O ATOM 941 CB ARG A 57 -16.741 15.607 8.615 1.00 0.00 C ATOM 942 CG ARG A 57 -15.829 14.405 8.268 1.00 0.00 C ATOM 943 CD ARG A 57 -15.997 13.214 9.230 1.00 0.00 C ATOM 944 NE ARG A 57 -17.366 12.654 9.190 1.00 0.00 N ATOM 945 CZ ARG A 57 -18.062 12.231 10.260 1.00 0.00 C ATOM 946 NH1 ARG A 57 -17.577 12.369 11.487 1.00 0.00 N ATOM 947 NH2 ARG A 57 -19.264 11.701 10.091 1.00 0.00 N ATOM 0 H ARG A 57 -16.970 15.548 6.034 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.221 17.652 8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.525 15.924 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.778 15.272 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.045 14.075 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.789 14.731 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.280 12.435 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.766 13.534 10.246 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.818 12.583 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.664 12.801 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.117 12.043 12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.657 11.616 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.797 11.378 10.898 1.00 0.00 H new ATOM 961 N ASP A 58 -14.463 17.084 6.489 1.00 0.00 N ATOM 962 CA ASP A 58 -13.039 17.417 6.243 1.00 0.00 C ATOM 963 C ASP A 58 -12.968 18.686 5.360 1.00 0.00 C ATOM 964 O ASP A 58 -11.927 19.039 4.825 1.00 0.00 O ATOM 965 CB ASP A 58 -12.335 16.188 5.575 1.00 0.00 C ATOM 966 CG ASP A 58 -10.815 16.331 5.330 1.00 0.00 C ATOM 967 OD1 ASP A 58 -10.056 16.474 6.320 1.00 0.00 O ATOM 968 OD2 ASP A 58 -10.371 16.291 4.153 1.00 0.00 O ATOM 0 H ASP A 58 -14.904 16.625 5.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.517 17.630 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.501 15.313 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.820 15.991 4.619 1.00 0.00 H new ATOM 973 N SER A 59 -14.107 19.403 5.258 1.00 0.00 N ATOM 974 CA SER A 59 -14.215 20.643 4.470 1.00 0.00 C ATOM 975 C SER A 59 -13.613 21.860 5.215 1.00 0.00 C ATOM 976 O SER A 59 -13.777 23.000 4.767 1.00 0.00 O ATOM 977 CB SER A 59 -15.698 20.894 4.132 1.00 0.00 C ATOM 978 OG SER A 59 -16.476 20.986 5.318 1.00 0.00 O ATOM 0 H SER A 59 -14.976 19.136 5.721 1.00 0.00 H new ATOM 0 HA SER A 59 -13.639 20.520 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.794 21.814 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.075 20.085 3.506 1.00 0.00 H new ATOM 0 HG SER A 59 -16.932 20.133 5.477 1.00 0.00 H new ATOM 984 N ALA A 60 -12.939 21.608 6.359 1.00 0.00 N ATOM 985 CA ALA A 60 -12.211 22.643 7.118 1.00 0.00 C ATOM 986 C ALA A 60 -10.986 23.138 6.321 1.00 0.00 C ATOM 987 O ALA A 60 -10.519 22.458 5.395 1.00 0.00 O ATOM 988 CB ALA A 60 -11.790 22.100 8.497 1.00 0.00 C ATOM 0 H ALA A 60 -12.886 20.681 6.780 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.876 23.492 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.254 22.875 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.677 21.806 9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.141 21.234 8.365 1.00 0.00 H new ATOM 994 N LYS A 61 -10.464 24.323 6.693 1.00 0.00 N ATOM 995 CA LYS A 61 -9.320 24.959 6.005 1.00 0.00 C ATOM 996 C LYS A 61 -7.997 24.277 6.463 1.00 0.00 C ATOM 997 O LYS A 61 -7.257 24.818 7.294 1.00 0.00 O ATOM 998 CB LYS A 61 -9.335 26.506 6.273 1.00 0.00 C ATOM 999 CG LYS A 61 -8.654 27.412 5.199 1.00 0.00 C ATOM 1000 CD LYS A 61 -7.118 27.254 5.127 1.00 0.00 C ATOM 1001 CE LYS A 61 -6.396 27.690 6.421 1.00 0.00 C ATOM 1002 NZ LYS A 61 -4.978 27.252 6.425 1.00 0.00 N ATOM 0 H LYS A 61 -10.822 24.867 7.478 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.397 24.823 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.373 26.823 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.848 26.690 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.079 27.182 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.892 28.454 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.877 26.212 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.738 27.842 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.443 28.775 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.910 27.270 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.522 27.560 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.935 26.215 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.482 27.673 5.613 1.00 0.00 H new ATOM 1016 N ASP A 62 -7.792 23.061 5.931 1.00 0.00 N ATOM 1017 CA ASP A 62 -6.608 22.196 6.116 1.00 0.00 C ATOM 1018 C ASP A 62 -7.056 20.789 5.692 1.00 0.00 C ATOM 1019 O ASP A 62 -7.492 19.989 6.526 1.00 0.00 O ATOM 1020 CB ASP A 62 -6.046 22.155 7.582 1.00 0.00 C ATOM 1021 CG ASP A 62 -4.730 21.360 7.702 1.00 0.00 C ATOM 1022 OD1 ASP A 62 -3.653 21.925 7.396 1.00 0.00 O ATOM 1023 OD2 ASP A 62 -4.761 20.167 8.079 1.00 0.00 O ATOM 0 H ASP A 62 -8.487 22.627 5.324 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.786 22.595 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.881 23.175 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.793 21.711 8.239 1.00 0.00 H new ATOM 1028 N ALA A 63 -7.010 20.518 4.378 1.00 0.00 N ATOM 1029 CA ALA A 63 -7.580 19.281 3.811 1.00 0.00 C ATOM 1030 C ALA A 63 -6.998 18.962 2.427 1.00 0.00 C ATOM 1031 O ALA A 63 -6.382 19.819 1.779 1.00 0.00 O ATOM 1032 CB ALA A 63 -9.108 19.410 3.719 1.00 0.00 C ATOM 0 H ALA A 63 -6.585 21.137 3.687 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.316 18.458 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.526 18.495 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.520 19.574 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.364 20.253 3.077 1.00 0.00 H new ATOM 1038 N VAL A 64 -7.241 17.717 1.979 1.00 0.00 N ATOM 1039 CA VAL A 64 -6.831 17.226 0.647 1.00 0.00 C ATOM 1040 C VAL A 64 -7.768 17.781 -0.454 1.00 0.00 C ATOM 1041 O VAL A 64 -7.405 17.778 -1.640 1.00 0.00 O ATOM 1042 CB VAL A 64 -6.813 15.648 0.637 1.00 0.00 C ATOM 1043 CG1 VAL A 64 -6.422 15.060 -0.740 1.00 0.00 C ATOM 1044 CG2 VAL A 64 -5.868 15.124 1.740 1.00 0.00 C ATOM 0 H VAL A 64 -7.731 17.016 2.535 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.824 17.584 0.434 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.831 15.313 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.427 13.971 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.139 15.389 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.425 15.405 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.862 14.034 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.859 15.495 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.216 15.472 2.713 1.00 0.00 H new ATOM 1054 N ILE A 65 -8.958 18.279 -0.043 1.00 0.00 N ATOM 1055 CA ILE A 65 -9.963 18.842 -0.968 1.00 0.00 C ATOM 1056 C ILE A 65 -9.359 20.019 -1.789 1.00 0.00 C ATOM 1057 O ILE A 65 -8.560 20.799 -1.250 1.00 0.00 O ATOM 1058 CB ILE A 65 -11.278 19.323 -0.219 1.00 0.00 C ATOM 1059 CG1 ILE A 65 -11.024 20.586 0.683 1.00 0.00 C ATOM 1060 CG2 ILE A 65 -11.888 18.164 0.612 1.00 0.00 C ATOM 1061 CD1 ILE A 65 -12.273 21.198 1.303 1.00 0.00 C ATOM 0 H ILE A 65 -9.245 18.301 0.936 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.248 18.037 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 65 -11.994 19.620 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -10.338 20.310 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.524 21.347 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.788 18.513 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.142 17.336 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.163 17.827 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -11.994 22.062 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.955 21.512 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.765 20.459 1.935 1.00 0.00 H new ATOM 1073 N PRO A 66 -9.714 20.162 -3.108 1.00 0.00 N ATOM 1074 CA PRO A 66 -9.161 21.234 -3.986 1.00 0.00 C ATOM 1075 C PRO A 66 -9.803 22.629 -3.740 1.00 0.00 C ATOM 1076 O PRO A 66 -9.580 23.570 -4.515 1.00 0.00 O ATOM 1077 CB PRO A 66 -9.482 20.694 -5.399 1.00 0.00 C ATOM 1078 CG PRO A 66 -10.764 19.945 -5.213 1.00 0.00 C ATOM 1079 CD PRO A 66 -10.653 19.277 -3.860 1.00 0.00 C ATOM 0 HA PRO A 66 -8.101 21.417 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.593 21.503 -6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.689 20.044 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.620 20.619 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.906 19.208 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.622 19.209 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.266 18.262 -3.945 1.00 0.00 H new ATOM 1087 N GLY A 67 -10.601 22.737 -2.661 1.00 0.00 N ATOM 1088 CA GLY A 67 -11.274 23.977 -2.295 1.00 0.00 C ATOM 1089 C GLY A 67 -12.653 24.065 -2.934 1.00 0.00 C ATOM 1090 O GLY A 67 -12.770 24.407 -4.111 1.00 0.00 O ATOM 0 H GLY A 67 -10.791 21.962 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.368 24.036 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.670 24.828 -2.609 1.00 0.00 H new ATOM 1094 N LEU A 68 -13.694 23.691 -2.169 1.00 0.00 N ATOM 1095 CA LEU A 68 -15.089 23.804 -2.601 1.00 0.00 C ATOM 1096 C LEU A 68 -15.981 23.974 -1.358 1.00 0.00 C ATOM 1097 O LEU A 68 -16.065 23.081 -0.502 1.00 0.00 O ATOM 1098 CB LEU A 68 -15.538 22.591 -3.496 1.00 0.00 C ATOM 1099 CG LEU A 68 -15.537 21.143 -2.875 1.00 0.00 C ATOM 1100 CD1 LEU A 68 -16.303 20.159 -3.787 1.00 0.00 C ATOM 1101 CD2 LEU A 68 -14.107 20.619 -2.594 1.00 0.00 C ATOM 0 H LEU A 68 -13.586 23.302 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.193 24.683 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.549 22.798 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.892 22.573 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 68 -16.048 21.210 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -16.291 19.165 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -17.334 20.494 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -15.825 20.123 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.164 19.618 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.542 20.585 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.607 21.285 -1.891 1.00 0.00 H new ATOM 1113 N GLN A 69 -16.615 25.152 -1.242 1.00 0.00 N ATOM 1114 CA GLN A 69 -17.471 25.498 -0.098 1.00 0.00 C ATOM 1115 C GLN A 69 -18.933 25.117 -0.442 1.00 0.00 C ATOM 1116 O GLN A 69 -19.766 25.983 -0.751 1.00 0.00 O ATOM 1117 CB GLN A 69 -17.317 27.021 0.222 1.00 0.00 C ATOM 1118 CG GLN A 69 -17.941 27.478 1.557 1.00 0.00 C ATOM 1119 CD GLN A 69 -17.200 26.937 2.782 1.00 0.00 C ATOM 1120 OE1 GLN A 69 -16.305 27.583 3.320 1.00 0.00 O ATOM 1121 NE2 GLN A 69 -17.558 25.749 3.223 1.00 0.00 N ATOM 0 H GLN A 69 -16.548 25.892 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.176 24.946 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.255 27.268 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -17.770 27.594 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.946 28.567 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.981 27.153 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.305 25.235 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.088 25.342 4.032 1.00 0.00 H new ATOM 1130 N LYS A 70 -19.209 23.790 -0.460 1.00 0.00 N ATOM 1131 CA LYS A 70 -20.518 23.227 -0.891 1.00 0.00 C ATOM 1132 C LYS A 70 -21.092 22.254 0.159 1.00 0.00 C ATOM 1133 O LYS A 70 -22.073 21.543 -0.110 1.00 0.00 O ATOM 1134 CB LYS A 70 -20.359 22.507 -2.270 1.00 0.00 C ATOM 1135 CG LYS A 70 -19.885 23.414 -3.437 1.00 0.00 C ATOM 1136 CD LYS A 70 -20.826 24.622 -3.702 1.00 0.00 C ATOM 1137 CE LYS A 70 -22.242 24.211 -4.160 1.00 0.00 C ATOM 1138 NZ LYS A 70 -22.224 23.524 -5.478 1.00 0.00 N ATOM 0 H LYS A 70 -18.534 23.079 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 70 -21.223 24.052 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.648 21.689 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -21.316 22.062 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.884 23.785 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.810 22.816 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.905 25.217 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.378 25.261 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.687 23.553 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.874 25.097 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.199 23.326 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.761 24.135 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.699 22.630 -5.396 1.00 0.00 H new ATOM 1152 N ASP A 71 -20.495 22.246 1.360 1.00 0.00 N ATOM 1153 CA ASP A 71 -20.925 21.369 2.466 1.00 0.00 C ATOM 1154 C ASP A 71 -22.069 22.027 3.256 1.00 0.00 C ATOM 1155 O ASP A 71 -22.223 23.256 3.250 1.00 0.00 O ATOM 1156 CB ASP A 71 -19.731 21.035 3.400 1.00 0.00 C ATOM 1157 CG ASP A 71 -19.174 22.273 4.120 1.00 0.00 C ATOM 1158 OD1 ASP A 71 -18.511 23.102 3.460 1.00 0.00 O ATOM 1159 OD2 ASP A 71 -19.402 22.429 5.340 1.00 0.00 O ATOM 0 H ASP A 71 -19.703 22.844 1.594 1.00 0.00 H new ATOM 0 HA ASP A 71 -21.292 20.434 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -20.049 20.302 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.936 20.572 2.815 1.00 0.00 H new ATOM 1164 N TYR A 72 -22.874 21.192 3.931 1.00 0.00 N ATOM 1165 CA TYR A 72 -24.047 21.638 4.709 1.00 0.00 C ATOM 1166 C TYR A 72 -23.969 21.071 6.139 1.00 0.00 C ATOM 1167 O TYR A 72 -23.899 19.850 6.324 1.00 0.00 O ATOM 1168 CB TYR A 72 -25.362 21.197 4.005 1.00 0.00 C ATOM 1169 CG TYR A 72 -25.510 21.754 2.578 1.00 0.00 C ATOM 1170 CD1 TYR A 72 -25.877 23.087 2.356 1.00 0.00 C ATOM 1171 CD2 TYR A 72 -25.267 20.955 1.453 1.00 0.00 C ATOM 1172 CE1 TYR A 72 -25.981 23.598 1.075 1.00 0.00 C ATOM 1173 CE2 TYR A 72 -25.365 21.469 0.173 1.00 0.00 C ATOM 1174 CZ TYR A 72 -25.733 22.785 -0.009 1.00 0.00 C ATOM 1175 OH TYR A 72 -25.826 23.303 -1.282 1.00 0.00 O ATOM 0 H TYR A 72 -22.731 20.182 3.954 1.00 0.00 H new ATOM 0 HA TYR A 72 -24.047 22.726 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -25.397 20.108 3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -26.212 21.523 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -26.083 23.728 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -24.998 19.918 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -26.256 24.632 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -25.154 20.842 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 72 -25.620 22.603 -1.936 1.00 0.00 H new ATOM 1185 N GLU A 73 -23.953 21.980 7.132 1.00 0.00 N ATOM 1186 CA GLU A 73 -23.957 21.633 8.568 1.00 0.00 C ATOM 1187 C GLU A 73 -25.349 21.102 8.978 1.00 0.00 C ATOM 1188 O GLU A 73 -26.379 21.655 8.570 1.00 0.00 O ATOM 1189 CB GLU A 73 -23.566 22.873 9.432 1.00 0.00 C ATOM 1190 CG GLU A 73 -24.448 24.123 9.194 1.00 0.00 C ATOM 1191 CD GLU A 73 -24.145 25.279 10.157 1.00 0.00 C ATOM 1192 OE1 GLU A 73 -24.705 25.291 11.274 1.00 0.00 O ATOM 1193 OE2 GLU A 73 -23.330 26.160 9.819 1.00 0.00 O ATOM 0 H GLU A 73 -23.937 22.985 6.960 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.218 20.851 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.623 22.599 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.527 23.132 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.307 24.468 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -25.496 23.842 9.294 1.00 0.00 H new ATOM 1200 N GLU A 74 -25.367 20.013 9.761 1.00 0.00 N ATOM 1201 CA GLU A 74 -26.605 19.394 10.264 1.00 0.00 C ATOM 1202 C GLU A 74 -26.504 19.189 11.780 1.00 0.00 C ATOM 1203 O GLU A 74 -25.996 18.159 12.251 1.00 0.00 O ATOM 1204 CB GLU A 74 -26.896 18.051 9.535 1.00 0.00 C ATOM 1205 CG GLU A 74 -27.127 18.190 8.017 1.00 0.00 C ATOM 1206 CD GLU A 74 -27.559 16.874 7.360 1.00 0.00 C ATOM 1207 OE1 GLU A 74 -26.692 16.013 7.115 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -28.771 16.678 7.119 1.00 0.00 O ATOM 0 H GLU A 74 -24.520 19.534 10.065 1.00 0.00 H new ATOM 0 HA GLU A 74 -27.440 20.063 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -26.060 17.372 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -27.776 17.591 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.890 18.948 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.210 18.543 7.545 1.00 0.00 H new ATOM 1215 N ASP A 75 -26.946 20.207 12.538 1.00 0.00 N ATOM 1216 CA ASP A 75 -26.987 20.156 14.009 1.00 0.00 C ATOM 1217 C ASP A 75 -28.405 19.747 14.454 1.00 0.00 C ATOM 1218 O ASP A 75 -29.259 20.589 14.768 1.00 0.00 O ATOM 1219 CB ASP A 75 -26.549 21.515 14.630 1.00 0.00 C ATOM 1220 CG ASP A 75 -26.346 21.490 16.163 1.00 0.00 C ATOM 1221 OD1 ASP A 75 -26.319 20.396 16.783 1.00 0.00 O ATOM 1222 OD2 ASP A 75 -26.194 22.578 16.758 1.00 0.00 O ATOM 0 H ASP A 75 -27.284 21.087 12.149 1.00 0.00 H new ATOM 0 HA ASP A 75 -26.278 19.411 14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -25.618 21.831 14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -27.300 22.268 14.389 1.00 0.00 H new ATOM 1227 N PHE A 76 -28.634 18.429 14.408 1.00 0.00 N ATOM 1228 CA PHE A 76 -29.932 17.802 14.691 1.00 0.00 C ATOM 1229 C PHE A 76 -30.153 17.635 16.216 1.00 0.00 C ATOM 1230 O PHE A 76 -31.282 17.767 16.700 1.00 0.00 O ATOM 1231 CB PHE A 76 -29.989 16.432 13.955 1.00 0.00 C ATOM 1232 CG PHE A 76 -31.363 15.770 13.926 1.00 0.00 C ATOM 1233 CD1 PHE A 76 -32.400 16.334 13.183 1.00 0.00 C ATOM 1234 CD2 PHE A 76 -31.608 14.576 14.599 1.00 0.00 C ATOM 1235 CE1 PHE A 76 -33.642 15.734 13.130 1.00 0.00 C ATOM 1236 CE2 PHE A 76 -32.853 13.981 14.546 1.00 0.00 C ATOM 1237 CZ PHE A 76 -33.865 14.554 13.804 1.00 0.00 C ATOM 0 H PHE A 76 -27.908 17.754 14.168 1.00 0.00 H new ATOM 0 HA PHE A 76 -30.736 18.442 14.328 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -29.649 16.574 12.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -29.285 15.751 14.433 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -32.229 17.253 12.642 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -30.817 14.111 15.168 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -34.438 16.190 12.560 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -33.035 13.064 15.087 1.00 0.00 H new ATOM 0 HZ PHE A 76 -34.833 14.077 13.752 1.00 0.00 H new ATOM 1247 N LYS A 77 -29.050 17.371 16.956 1.00 0.00 N ATOM 1248 CA LYS A 77 -29.072 17.112 18.421 1.00 0.00 C ATOM 1249 C LYS A 77 -29.627 18.311 19.205 1.00 0.00 C ATOM 1250 O LYS A 77 -30.506 18.152 20.071 1.00 0.00 O ATOM 1251 CB LYS A 77 -27.638 16.787 18.923 1.00 0.00 C ATOM 1252 CG LYS A 77 -27.014 15.526 18.291 1.00 0.00 C ATOM 1253 CD LYS A 77 -25.525 15.349 18.664 1.00 0.00 C ATOM 1254 CE LYS A 77 -24.898 14.122 17.999 1.00 0.00 C ATOM 1255 NZ LYS A 77 -25.041 14.157 16.524 1.00 0.00 N ATOM 0 H LYS A 77 -28.113 17.331 16.554 1.00 0.00 H new ATOM 0 HA LYS A 77 -29.730 16.261 18.594 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -26.992 17.640 18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -27.665 16.661 20.005 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -27.573 14.648 18.614 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -27.109 15.583 17.207 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.971 16.241 18.370 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.433 15.259 19.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.841 14.069 18.260 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.368 13.219 18.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.436 13.426 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.033 13.978 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.755 15.092 16.170 1.00 0.00 H new ATOM 1269 N THR A 78 -29.100 19.511 18.892 1.00 0.00 N ATOM 1270 CA THR A 78 -29.528 20.757 19.544 1.00 0.00 C ATOM 1271 C THR A 78 -31.004 21.067 19.200 1.00 0.00 C ATOM 1272 O THR A 78 -31.764 21.512 20.063 1.00 0.00 O ATOM 1273 CB THR A 78 -28.601 21.957 19.162 1.00 0.00 C ATOM 1274 OG1 THR A 78 -27.234 21.623 19.479 1.00 0.00 O ATOM 1275 CG2 THR A 78 -28.976 23.267 19.895 1.00 0.00 C ATOM 0 H THR A 78 -28.374 19.640 18.188 1.00 0.00 H new ATOM 0 HA THR A 78 -29.445 20.615 20.621 1.00 0.00 H new ATOM 0 HB THR A 78 -28.729 22.131 18.094 1.00 0.00 H new ATOM 0 HG1 THR A 78 -26.644 21.947 18.766 1.00 0.00 H new ATOM 0 HG21 THR A 78 -28.297 24.063 19.588 1.00 0.00 H new ATOM 0 HG22 THR A 78 -29.999 23.545 19.642 1.00 0.00 H new ATOM 0 HG23 THR A 78 -28.896 23.117 20.972 1.00 0.00 H new ATOM 1283 N ALA A 79 -31.409 20.757 17.954 1.00 0.00 N ATOM 1284 CA ALA A 79 -32.797 20.948 17.482 1.00 0.00 C ATOM 1285 C ALA A 79 -33.799 20.099 18.306 1.00 0.00 C ATOM 1286 O ALA A 79 -34.931 20.530 18.545 1.00 0.00 O ATOM 1287 CB ALA A 79 -32.889 20.613 15.984 1.00 0.00 C ATOM 0 H ALA A 79 -30.786 20.368 17.246 1.00 0.00 H new ATOM 0 HA ALA A 79 -33.069 21.994 17.626 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -33.914 20.755 15.642 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -32.224 21.270 15.423 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -32.594 19.576 15.824 1.00 0.00 H new ATOM 1293 N LEU A 80 -33.354 18.898 18.745 1.00 0.00 N ATOM 1294 CA LEU A 80 -34.180 17.971 19.556 1.00 0.00 C ATOM 1295 C LEU A 80 -34.406 18.513 20.983 1.00 0.00 C ATOM 1296 O LEU A 80 -35.550 18.596 21.452 1.00 0.00 O ATOM 1297 CB LEU A 80 -33.520 16.564 19.629 1.00 0.00 C ATOM 1298 CG LEU A 80 -33.365 15.815 18.274 1.00 0.00 C ATOM 1299 CD1 LEU A 80 -32.642 14.468 18.472 1.00 0.00 C ATOM 1300 CD2 LEU A 80 -34.734 15.626 17.572 1.00 0.00 C ATOM 0 H LEU A 80 -32.417 18.545 18.548 1.00 0.00 H new ATOM 0 HA LEU A 80 -35.149 17.887 19.063 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -32.533 16.670 20.078 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -34.111 15.941 20.301 1.00 0.00 H new ATOM 0 HG LEU A 80 -32.749 16.431 17.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -32.545 13.962 17.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -31.651 14.645 18.890 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -33.218 13.843 19.155 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -34.590 15.100 16.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -35.395 15.044 18.215 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -35.181 16.601 17.379 1.00 0.00 H new ATOM 1312 N LEU A 81 -33.302 18.890 21.668 1.00 0.00 N ATOM 1313 CA LEU A 81 -33.359 19.369 23.075 1.00 0.00 C ATOM 1314 C LEU A 81 -34.042 20.752 23.182 1.00 0.00 C ATOM 1315 O LEU A 81 -34.529 21.124 24.250 1.00 0.00 O ATOM 1316 CB LEU A 81 -31.936 19.338 23.733 1.00 0.00 C ATOM 1317 CG LEU A 81 -30.772 20.119 23.016 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -30.787 21.641 23.301 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -29.391 19.507 23.358 1.00 0.00 C ATOM 0 H LEU A 81 -32.362 18.873 21.273 1.00 0.00 H new ATOM 0 HA LEU A 81 -33.986 18.682 23.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -32.028 19.731 24.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -31.632 18.295 23.823 1.00 0.00 H new ATOM 0 HG LEU A 81 -30.949 20.005 21.947 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -29.959 22.118 22.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -31.729 22.067 22.955 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -30.684 21.812 24.373 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -28.608 20.068 22.848 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -29.229 19.554 24.435 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -29.363 18.467 23.032 1.00 0.00 H new ATOM 1331 N ARG A 82 -34.067 21.502 22.060 1.00 0.00 N ATOM 1332 CA ARG A 82 -34.823 22.770 21.951 1.00 0.00 C ATOM 1333 C ARG A 82 -36.316 22.507 21.686 1.00 0.00 C ATOM 1334 O ARG A 82 -37.177 23.266 22.151 1.00 0.00 O ATOM 1335 CB ARG A 82 -34.256 23.668 20.823 1.00 0.00 C ATOM 1336 CG ARG A 82 -32.863 24.268 21.104 1.00 0.00 C ATOM 1337 CD ARG A 82 -32.406 25.246 20.001 1.00 0.00 C ATOM 1338 NE ARG A 82 -33.359 26.365 19.827 1.00 0.00 N ATOM 1339 CZ ARG A 82 -33.467 27.428 20.645 1.00 0.00 C ATOM 1340 NH1 ARG A 82 -32.715 27.533 21.735 1.00 0.00 N ATOM 1341 NH2 ARG A 82 -34.363 28.367 20.386 1.00 0.00 N ATOM 0 H ARG A 82 -33.567 21.248 21.208 1.00 0.00 H new ATOM 0 HA ARG A 82 -34.715 23.287 22.905 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -34.204 23.083 19.905 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -34.956 24.483 20.642 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -32.882 24.789 22.061 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -32.135 23.462 21.194 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -31.422 25.643 20.252 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -32.302 24.708 19.059 1.00 0.00 H new ATOM 0 HE ARG A 82 -33.984 26.327 19.022 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -32.042 26.801 21.963 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -32.810 28.346 22.344 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -34.968 28.283 19.569 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -34.448 29.175 21.003 1.00 0.00 H new ATOM 1355 N ALA A 83 -36.600 21.446 20.905 1.00 0.00 N ATOM 1356 CA ALA A 83 -37.976 21.057 20.531 1.00 0.00 C ATOM 1357 C ALA A 83 -38.802 20.683 21.772 1.00 0.00 C ATOM 1358 O ALA A 83 -39.983 21.045 21.887 1.00 0.00 O ATOM 1359 CB ALA A 83 -37.937 19.886 19.538 1.00 0.00 C ATOM 0 H ALA A 83 -35.883 20.834 20.515 1.00 0.00 H new ATOM 0 HA ALA A 83 -38.458 21.911 20.055 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -38.955 19.605 19.267 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -37.393 20.186 18.643 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -37.436 19.035 19.999 1.00 0.00 H new ATOM 1365 N ARG A 84 -38.158 19.953 22.698 1.00 0.00 N ATOM 1366 CA ARG A 84 -38.775 19.538 23.966 1.00 0.00 C ATOM 1367 C ARG A 84 -38.583 20.621 25.048 1.00 0.00 C ATOM 1368 O ARG A 84 -39.553 21.071 25.676 1.00 0.00 O ATOM 1369 CB ARG A 84 -38.183 18.173 24.429 1.00 0.00 C ATOM 1370 CG ARG A 84 -38.702 17.673 25.803 1.00 0.00 C ATOM 1371 CD ARG A 84 -38.330 16.206 26.082 1.00 0.00 C ATOM 1372 NE ARG A 84 -38.990 15.294 25.126 1.00 0.00 N ATOM 1373 CZ ARG A 84 -39.067 13.960 25.241 1.00 0.00 C ATOM 1374 NH1 ARG A 84 -38.489 13.321 26.253 1.00 0.00 N ATOM 1375 NH2 ARG A 84 -39.710 13.270 24.313 1.00 0.00 N ATOM 0 H ARG A 84 -37.195 19.635 22.587 1.00 0.00 H new ATOM 0 HA ARG A 84 -39.846 19.413 23.809 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -38.410 17.420 23.674 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -37.098 18.261 24.476 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -38.293 18.303 26.592 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -39.786 17.781 25.838 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -37.249 16.084 26.017 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -38.620 15.942 27.099 1.00 0.00 H new ATOM 0 HE ARG A 84 -39.426 15.716 24.306 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -37.975 13.846 26.961 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -38.560 12.306 26.322 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -40.139 13.753 23.524 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -39.777 12.255 24.387 1.00 0.00 H new ATOM 1389 N GLY A 85 -37.320 21.046 25.237 1.00 0.00 N ATOM 1390 CA GLY A 85 -36.941 21.886 26.376 1.00 0.00 C ATOM 1391 C GLY A 85 -37.050 21.104 27.681 1.00 0.00 C ATOM 1392 O GLY A 85 -36.695 19.920 27.708 1.00 0.00 O ATOM 0 H GLY A 85 -36.547 20.818 24.611 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -35.920 22.246 26.246 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -37.585 22.764 26.417 1.00 0.00 H new ATOM 1396 N VAL A 86 -37.569 21.761 28.737 1.00 0.00 N ATOM 1397 CA VAL A 86 -37.835 21.147 30.059 1.00 0.00 C ATOM 1398 C VAL A 86 -36.569 20.454 30.630 1.00 0.00 C ATOM 1399 O VAL A 86 -36.410 19.223 30.541 1.00 0.00 O ATOM 1400 CB VAL A 86 -39.081 20.166 30.030 1.00 0.00 C ATOM 1401 CG1 VAL A 86 -39.403 19.590 31.435 1.00 0.00 C ATOM 1402 CG2 VAL A 86 -40.324 20.873 29.423 1.00 0.00 C ATOM 0 H VAL A 86 -37.820 22.749 28.698 1.00 0.00 H new ATOM 0 HA VAL A 86 -38.097 21.960 30.737 1.00 0.00 H new ATOM 0 HB VAL A 86 -38.815 19.324 29.391 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -40.263 18.924 31.367 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -38.542 19.034 31.806 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -39.630 20.407 32.120 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -41.167 20.182 29.413 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -40.577 21.745 30.026 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -40.101 21.189 28.404 1.00 0.00 H new ATOM 1412 N ILE A 87 -35.647 21.276 31.158 1.00 0.00 N ATOM 1413 CA ILE A 87 -34.385 20.791 31.745 1.00 0.00 C ATOM 1414 C ILE A 87 -34.698 20.212 33.140 1.00 0.00 C ATOM 1415 O ILE A 87 -35.133 20.953 34.039 1.00 0.00 O ATOM 1416 CB ILE A 87 -33.273 21.927 31.832 1.00 0.00 C ATOM 1417 CG1 ILE A 87 -32.779 22.390 30.406 1.00 0.00 C ATOM 1418 CG2 ILE A 87 -32.063 21.467 32.700 1.00 0.00 C ATOM 1419 CD1 ILE A 87 -33.781 23.181 29.571 1.00 0.00 C ATOM 0 H ILE A 87 -35.754 22.290 31.190 1.00 0.00 H new ATOM 0 HA ILE A 87 -33.968 20.020 31.097 1.00 0.00 H new ATOM 0 HB ILE A 87 -33.742 22.785 32.313 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -31.884 22.998 30.534 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -32.485 21.505 29.841 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -31.320 22.264 32.741 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -32.405 21.238 33.709 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -31.616 20.577 32.258 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -33.330 23.444 28.614 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -34.670 22.575 29.399 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -34.060 24.091 30.103 1.00 0.00 H new ATOM 1431 N LYS A 88 -34.516 18.875 33.275 1.00 0.00 N ATOM 1432 CA LYS A 88 -34.815 18.102 34.501 1.00 0.00 C ATOM 1433 C LYS A 88 -36.339 18.090 34.777 1.00 0.00 C ATOM 1434 O LYS A 88 -37.042 17.148 34.379 1.00 0.00 O ATOM 1435 CB LYS A 88 -33.995 18.645 35.718 1.00 0.00 C ATOM 1436 CG LYS A 88 -34.176 17.875 37.048 1.00 0.00 C ATOM 1437 CD LYS A 88 -33.511 18.604 38.234 1.00 0.00 C ATOM 1438 CE LYS A 88 -33.532 17.781 39.530 1.00 0.00 C ATOM 1439 NZ LYS A 88 -32.975 18.545 40.676 1.00 0.00 N ATOM 0 H LYS A 88 -34.150 18.295 32.519 1.00 0.00 H new ATOM 0 HA LYS A 88 -34.506 17.068 34.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -32.938 18.633 35.454 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -34.271 19.687 35.882 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -35.239 17.748 37.251 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -33.748 16.877 36.950 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -32.478 18.840 37.976 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -34.022 19.552 38.403 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -34.556 17.483 39.755 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -32.957 16.866 39.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -33.006 17.957 41.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -31.990 18.808 40.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -33.539 19.406 40.826 1.00 0.00 H new ATOM 1453 N GLU A 89 -36.824 19.175 35.415 1.00 0.00 N ATOM 1454 CA GLU A 89 -38.221 19.362 35.820 1.00 0.00 C ATOM 1455 C GLU A 89 -38.341 20.761 36.459 1.00 0.00 C ATOM 1456 O GLU A 89 -38.974 21.666 35.873 1.00 0.00 O ATOM 1457 CB GLU A 89 -38.677 18.251 36.821 1.00 0.00 C ATOM 1458 CG GLU A 89 -40.152 18.339 37.264 1.00 0.00 C ATOM 1459 CD GLU A 89 -40.537 17.226 38.252 1.00 0.00 C ATOM 1460 OE1 GLU A 89 -40.345 17.399 39.478 1.00 0.00 O ATOM 1461 OE2 GLU A 89 -41.010 16.157 37.803 1.00 0.00 O ATOM 1462 OXT GLU A 89 -37.742 20.963 37.539 1.00 0.00 O ATOM 0 H GLU A 89 -36.231 19.966 35.667 1.00 0.00 H new ATOM 0 HA GLU A 89 -38.873 19.285 34.950 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -38.509 17.277 36.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -38.044 18.299 37.707 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -40.332 19.309 37.727 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -40.796 18.280 36.386 1.00 0.00 H new TER 1469 GLU A 89